Diff of the two buildlogs:

--
--- b1/build.log	2024-05-09 12:51:22.896557519 +0000
+++ b2/build.log	2024-05-09 13:17:45.333228426 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Wed Jun 11 06:52:06 -12 2025
-I: pbuilder-time-stamp: 1749667926
+I: Current time: Fri May 10 02:51:28 +14 2024
+I: pbuilder-time-stamp: 1715259088
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/experimental-reproducible-base.tgz]
 I: copying local configuration
@@ -34,51 +34,83 @@
 dpkg-source: info: applying pg16
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/3878643/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/D01_modify_environment starting
+debug: Running on infom01-amd64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 May  9 12:51 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/D02_print_environment starting
 I: set
-  BUILDDIR='/build/reproducible-path'
-  BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
-  BUILDUSERNAME='pbuilder1'
-  BUILD_ARCH='amd64'
-  DEBIAN_FRONTEND='noninteractive'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu")
+  BASH_VERSION='5.2.21(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=amd64
+  DEBIAN_FRONTEND=noninteractive
   DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
-  DISTRIBUTION='experimental'
-  HOME='/root'
-  HOST_ARCH='amd64'
+  DIRSTACK=()
+  DISTRIBUTION=experimental
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=x86_64
+  HOST_ARCH=amd64
   IFS=' 	
   '
-  INVOCATION_ID='8443324c5d0e46f0bad042e93b60a459'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='3878643'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=3aab429487a54b02bbe7cdd200051086
+  LANG=C
+  LANGUAGE=et_EE:et
+  LC_ALL=C
+  MACHTYPE=x86_64-pc-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=3300436
   PS4='+ '
-  PWD='/'
-  SHELL='/bin/bash'
-  SHLVL='2'
-  SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.gjazTwpC/pbuilderrc_y0BA --distribution experimental --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/experimental-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.gjazTwpC/b1 --logfile b1/build.log rdkit_202309.3-4~exp1.dsc'
-  SUDO_GID='109'
-  SUDO_UID='104'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
+  PWD=/
+  SHELL=/bin/bash
+  SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+  SHLVL=3
+  SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.gjazTwpC/pbuilderrc_i9qf --distribution experimental --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/experimental-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.gjazTwpC/b2 --logfile b2/build.log rdkit_202309.3-4~exp1.dsc'
+  SUDO_GID=109
+  SUDO_UID=104
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
 I: uname -a
-  Linux infom02-amd64 6.6.13+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.6.13-1~bpo12+1 (2024-02-15) x86_64 GNU/Linux
+  Linux i-capture-the-hostname 6.1.0-21-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Jun 11 14:02 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/3878643/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 May  6 07:35 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -531,7 +563,7 @@
 Get: 340 http://deb.debian.org/debian unstable/main amd64 texlive-latex-recommended all 2023.20240207-1 [8843 kB]
 Get: 341 http://deb.debian.org/debian unstable/main amd64 texlive-pictures all 2023.20240207-1 [16.7 MB]
 Get: 342 http://deb.debian.org/debian unstable/main amd64 texlive-latex-extra all 2023.20240207-1 [19.7 MB]
-Fetched 399 MB in 6s (61.9 MB/s)
+Fetched 399 MB in 6s (72.1 MB/s)
 debconf: delaying package configuration, since apt-utils is not installed
 Selecting previously unselected package m4.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19699 files and directories currently installed.)
@@ -1627,8 +1659,8 @@
 Setting up tzdata (2024a-4) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Wed Jun 11 18:56:33 UTC 2025.
-Universal Time is now:  Wed Jun 11 18:56:33 UTC 2025.
+Local time is now:      Thu May  9 12:57:44 UTC 2024.
+Universal Time is now:  Thu May  9 12:57:44 UTC 2024.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libboost-atomic1.83.0:amd64 (1.83.0-2.1+b1) ...
@@ -1778,11 +1810,6 @@
 Setting up pandoc (3.1.3+ds-3) ...
 Setting up libfreetype6:amd64 (2.13.2+dfsg-1+b4) ...
 Setting up ssl-cert (1.1.2) ...
-hostname: Name or service not known
-make-ssl-cert: Could not get FQDN, using 'infom02-amd64'.
-make-ssl-cert: You may want to fix your /etc/hosts and/or DNS setup and run
-make-ssl-cert: 'make-ssl-cert generate-default-snakeoil --force-overwrite'
-make-ssl-cert: again.
 Setting up libboost-date-time1.83-dev:amd64 (1.83.0-2.1+b1) ...
 Setting up x11proto-core-dev (2024.1-1) ...
 Setting up shared-mime-info (2.4-4) ...
@@ -1994,7 +2021,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/rdkit-202309.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S  > ../rdkit_202309.3-4~exp1_source.changes
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for experimental
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/rdkit-202309.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S  > ../rdkit_202309.3-4~exp1_source.changes
 dpkg-buildpackage: info: source package rdkit
 dpkg-buildpackage: info: source version 202309.3-4~exp1
 dpkg-buildpackage: info: source distribution experimental
@@ -2144,7 +2175,7 @@
 -- Found Freetype: /usr/lib/x86_64-linux-gnu/libfreetype.so (found version "2.13.2")
 -- Could NOT find Boost (missing: program_options) (found suitable version "1.83.0", minimum required is "1.58.0")
 -- Configuring done (2.9s)
--- Generating done (2.0s)
+-- Generating done (1.2s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -2173,99 +2204,99 @@
 make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/depend
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-make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
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+make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/CoordGen /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/CMakeFiles/coordgen_support.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/GA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/GA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/GA/CMakeFiles/ga.dir/DependInfo.cmake "--color="
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+make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/RDGeneralExceptions.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/Cluster/Murtagh/hc.c
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/catch_main.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/GA/ga/Chromosome.cpp
-[  2%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/utils.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/RDGeneralExceptions.cpp
+[  2%] Built target inchi_support
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/RDLog.cpp
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/LocaleSwitcher.cpp
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+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o -MF CMakeFiles/RDGeneral.dir/versions.cpp.o.d -o CMakeFiles/RDGeneral.dir/versions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/versions.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
-make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color="
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+make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
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-make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color="
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
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+make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
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+make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend
+make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
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+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
+make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend
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@@ -2328,68 +2359,70 @@
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+make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build
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+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build
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+make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/build
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVect.cpp
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/catch_logs.cpp
+make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/build
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/testRDValue.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Catalogs/Catalog.cpp
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+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/SparseBitVect.cpp
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-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
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+[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Catalogs/CatalogParams.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[  4%] Built target EigenSolvers
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 [  5%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/HierarchicalClusterPicker.cpp
+[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Catalogs/CatalogEntry.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
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+[  5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o -MF CMakeFiles/DataStructs.dir/Utils.cpp.o.d -o CMakeFiles/DataStructs.dir/Utils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Utils.cpp
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+[  5%] Linking CXX executable dictTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/dictTestsCatch.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[  5%] Linking CXX executable testQuery
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1
+[  5%] Built target dictTestsCatch
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 [  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[  6%] Built target testQuery
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DiscreteValueVect.cpp
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/FPBReader.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMatrices.dir/testMatrices.cpp.o -o testMatrices  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/MultiFPBReader.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 [  6%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSimDivPickers.so.1 -o ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -2499,11 +2530,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [  6%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/testPickers.cpp
-[  6%] Linking CXX executable testRDValue
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRDValue.dir/testRDValue.cpp.o -o testRDValue  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[  6%] Built target testRDValue
 [  6%] Linking CXX executable testDict
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDict.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDict.dir/testDict.cpp.o -o testDict  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -2514,6 +2540,11 @@
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers  ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [  7%] Built target testSimDivPickers
+[  7%] Linking CXX executable testRDValue
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRDValue.dir/testRDValue.cpp.o -o testRDValue  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[  7%] Built target testRDValue
 [  7%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDataStructs.so.1 -o ../../lib/libRDKitDataStructs.so.1.2023.09.3 CMakeFiles/DataStructs.dir/BitVect.cpp.o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o CMakeFiles/DataStructs.dir/Utils.cpp.o CMakeFiles/DataStructs.dir/base64.cpp.o CMakeFiles/DataStructs.dir/BitOps.cpp.o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/DataStructs.dir/FPBReader.cpp.o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -2526,81 +2557,81 @@
 make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
 make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testFPB.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend
 make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/depend
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testMultiFPB.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake "--color="
+make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
 make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
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-make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
-make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build
+make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/point.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/catch_tests.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform2D.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/point.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
+make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/testDatastructs.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/InfoBitRanker.cpp
-[  8%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/catch_tests.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -MF CMakeFiles/cDataStructs.dir/DataStructs.cpp.o.d -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/DataStructs.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/testMultiFPB.cpp
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
+[  9%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/testFPB.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
+[  9%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
+[  9%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/InfoBitRanker.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
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 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
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-[  9%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/DiscreteValueVect.cpp
+[  9%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/LeaderPicker.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform3D.cpp
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@@ -2611,56 +2642,100 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 10%] Built target InfoTheory
-[ 10%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp
-[ 10%] Linking CXX executable pickersTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
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+[ 10%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
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+[ 10%] Linking CXX executable pickersTestsCatch
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+[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 11%] Built target testMultiFPB
+[ 11%] Built target rdMetricMatrixCalc
 [ 12%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
+[ 12%] Linking CXX executable testFPB
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
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+[ 12%] Linking CXX executable testMultiFPB
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 [ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
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+[ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
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+[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
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+[ 13%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
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+[ 13%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
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+[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
+[ 13%] Built target cQuantize
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
+make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 13%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/AlignPoints.cpp
+[ 13%] Linking CXX executable testDataStructs
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 13%] Built target testDataStructs
+make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testTransforms.cpp
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect<int>]':
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16:   required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]'
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:219:26:   required from here
@@ -2670,8 +2745,6 @@
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract<RDKit::SparseIntVect<int> >(boost::python::api::proxy<Policies>::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract<RDKit::SparseIntVect<int> >::<anonymous>.boost::python::converter::extract_rvalue<RDKit::SparseIntVect<int> >::operator()()'
    77 |     const T &siv2 = python::extract<T>(sivs[i])();
       |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
-[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect<int>]':
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16:   required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]'
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:219:26:   required from here
@@ -2771,123 +2844,52 @@
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract<RDKit::SparseIntVect<long unsigned int> >(boost::python::api::proxy<Policies>::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract<RDKit::SparseIntVect<long unsigned int> >::<anonymous>.boost::python::converter::extract_rvalue<RDKit::SparseIntVect<long unsigned int> >::operator()()'
   104 |     const T &siv2 = python::extract<T>(sivs[i])();
       |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
-[ 13%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o  ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 13%] Built target RDGeometryLib
-[ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
-[ 13%] Linking CXX executable testDataStructs
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 13%] Built target testDataStructs
-make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/GraphMol.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o -MF CMakeFiles/GraphMol.dir/Atom.cpp.o.d -o CMakeFiles/GraphMol.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Atom.cpp
-[ 13%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryAtom.cpp
-[ 13%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/AlignPoints.cpp
-make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
+make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color="
+[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build
+make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 14%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testTransforms.cpp
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_BitOps.cpp
-[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
+[ 15%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testGrid.cpp
+[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryBond.cpp
-[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Bond.cpp
-[ 15%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 15%] Built target rdInfoTheory
-[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.cpp
+[ 15%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o  ../../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKithc.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 [ 15%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2023.09.3 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1
-[ 16%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testGrid.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/catch_tests.cpp
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-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o -MF CMakeFiles/GraphMol.dir/FindRings.cpp.o.d -o CMakeFiles/GraphMol.dir/FindRings.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp
-[ 16%] Linking CXX executable testTransforms
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testTransforms.dir/testTransforms.cpp.o -o testTransforms  ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/catch_tests.cpp
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-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o
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-[ 16%] Linking CXX executable testGrid
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-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp:1348:36: warning: unused parameter 'mol' [-Wunused-parameter]
- 1348 | void findRingFamilies(const ROMol &mol) {
-      |                       ~~~~~~~~~~~~~^~~
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+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Bond.cpp
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-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RWMol.cpp
-[ 16%] Linking CXX executable geometryTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/CMakeFiles/testConrec.dir/DependInfo.cmake "--color="
@@ -2896,19 +2898,27 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 16%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/testConrec.cpp
+[ 16%] Linking CXX executable testTransforms
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testTransforms.dir/testTransforms.cpp.o -o testTransforms  ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 16%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 16%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_BitOps.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/rdGeometry.cpp
-[ 16%] Built target geometryTestsCatch
+[ 16%] Built target testTransforms
 make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 16%] Built target rdInfoTheory
 [ 16%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/testAlignment.cpp
 make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/testAlignment.cpp
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@@ -2916,11 +2926,13 @@
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 [ 17%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
-[ 17%] Linking CXX executable testAlignment
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 17%] Linking CXX executable geometryTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 17%] Built target testAlignment
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.cpp
+[ 17%] Built target geometryTestsCatch
 make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake "--color="
@@ -2929,17 +2941,10 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 17%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemicalFeatures_EXPORTS -DRDKIT_CHEMICALFEATURES_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/FreeChemicalFeature.cpp
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o -MF CMakeFiles/GraphMol.dir/FindRings.cpp.o.d -o CMakeFiles/GraphMol.dir/FindRings.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp
 [ 17%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_FPB.cpp
-[ 17%] Linking CXX executable testConrec
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testConrec.dir/testConrec.cpp.o -o testConrec  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 17%] Built target testConrec
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/atomic_data.cpp
 [ 18%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemicalFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemicalFeatures.so.1 -o ../../lib/libRDKitChemicalFeatures.so.1.2023.09.3 CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -2949,66 +2954,92 @@
 make  -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color="
-[ 18%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_Utils.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 18%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -MF CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o.d -o CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/testChemicalFeatures.cpp
+[ 18%] Linking CXX executable testAlignment
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 18%] Built target testAlignment
+[ 18%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_Utils.cpp
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o
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+[ 18%] Linking CXX executable testConrec
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 18%] Built target testConrec
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RWMol.cpp
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp:1348:36: warning: unused parameter 'mol' [-Wunused-parameter]
+ 1348 | void findRingFamilies(const ROMol &mol) {
+      |                       ~~~~~~~~~~~~~^~~
+[ 18%] Linking CXX executable testChemicalFeatures
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 18%] Built target testChemicalFeatures
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.cpp
+[ 18%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 18%] Built target rdAlignment
+[ 18%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/UniformGrid3D.cpp
+[ 18%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/rdGeometry.cpp
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/atomic_data.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.cpp
 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.cpp
-[ 18%] Linking CXX shared module ../../../rdkit/rdBase.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 18%] Built target rdBase
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o
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 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
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-[ 19%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
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 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/BondIterators.cpp
+[ 19%] Linking CXX shared module ../../../rdkit/rdBase.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 19%] Built target rdBase
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Kekulize.cpp
-[ 19%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
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+[ 19%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 19%] Built target testChemicalFeatures
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+[ 19%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
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 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 19%] Built target rdGeometry
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RingInfo.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o -MF CMakeFiles/GraphMol.dir/Conformer.cpp.o.d -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Conformer.cpp
-[ 20%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 20%] Built target cDataStructs
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -MF CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o.d -o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/AdjustQuery.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
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+make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend
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+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolTransforms_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLTRANSFORMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/MolTransforms.cpp
-[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o
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-[ 21%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/Subgraphs.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_TRAJECTORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTrajectory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o -MF CMakeFiles/Trajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/Trajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Trajectory/Trajectory.cpp
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+[ 21%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParse.cpp
+[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
 [ 22%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
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+[ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o
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-[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerParams.cpp
+[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
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 [ 22%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
-[ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 22%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/BFGSOpt.cpp
+[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
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+[ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
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 [ 22%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
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-[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
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-[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 22%] Built target GenericGroups
-[ 23%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Writer.cpp
-[ 23%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 23%] Built target MolTransforms
-make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/BFGSOpt.cpp
-[ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNAttribs.cpp
+[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Trajectory.cpp
+[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/LinearSearch.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
 [ 23%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 23%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
 [ 23%] Built target PartialCharges
-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
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-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
-[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Node.cpp
-[ 26%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/LinearSearch.cpp
-[ 26%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
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-[ 26%] Built target rdChemicalFeatures
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-[ 26%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmartsWrite.cpp
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-[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
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-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
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-make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdTrajectory.cpp
-[ 28%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
-[ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/smiles.tab.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 28%] Built target MolInterchange
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 28%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
+[ 23%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2023.09.3 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
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-[ 28%] Built target ShapeHelpers
+[ 23%] Built target Optimizer
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-[ 29%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
+[ 24%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.cpp
-[ 30%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 24%] Built target MolTransforms
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 30%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+[ 24%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/testOptimizer.cpp
-[ 30%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2023.09.3 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
+[ 24%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../../lib/libRDKitChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 30%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 24%] Built target rdChemicalFeatures
 make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
+[ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
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-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 31%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
-[ 31%] Linking CXX executable testOptimizer
+[ 24%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 24%] Built target Subgraphs
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 25%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
+[ 25%] Linking CXX executable testOptimizer
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleBend.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
+[ 25%] Built target testOptimizer
+make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
-[ 31%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
+[ 25%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 26%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 26%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 26%] Built target rdPartialCharges
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNAttribs.cpp
+[ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
+[ 27%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Writer.cpp
+[ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.cpp
+[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdtrajectory.so CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Built target rdtrajectory
+[ 27%] Built target rdtrajectory
+[ 27%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/BondStretch.cpp
+[ 27%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Nonbonded.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Sort.cpp
+[ 28%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 28%] Built target rdqueries
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 28%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 28%] Built target rdMolCatalog
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionAngle.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/DistanceConstraint.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 28%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 28%] Built target ShapeHelpers
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.cpp
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionConstraint.cpp
+[ 29%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 29%] Built target rdMolTransforms
 make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
+[ 29%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/BondStretch.cpp
-[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 29%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/sln.tab.cpp
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o
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+[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
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+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
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+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
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+[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
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+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
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+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
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+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/OopBend.cpp
+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.cpp
+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/DistanceConstraint.cpp
+[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+[ 31%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Built target rdMolCatalog
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Nonbonded.cpp
+[ 31%] Built target SubstructMatch
+[ 31%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
+[ 31%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 31%] Built target MolInterchange
 make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
+[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 31%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o
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+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o
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+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o
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+[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
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+[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
+[ 32%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/lex.yysln.cpp
+[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/smarts.tab.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 32%] Built target rdShapeHelpers
+[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
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+[ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
+[ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
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+[ 34%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 34%] Built target CIPLabeler
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 35%] Built target rdMolInterchange
+[ 35%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2023.09.3 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 35%] Built target SLNParse
 make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
+[ 35%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -MF CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o.d -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionAngle.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/DistanceConstraint.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 35%] Linking CXX shared library ../../lib/libRDKitForceField.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2023.09.3 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 31%] Built target rdPartialCharges
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionConstraint.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.cpp
-[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 32%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
+[ 35%] Built target ForceField
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 35%] Built target rdCIPLabeler
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 35%] Built target rdSLNParse
+[ 35%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Params.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Params.cpp
-[ 32%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 32%] Built target SmilesParse
+[ 35%] Built target SmilesParse
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
 make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
+make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/depend
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
+make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.cpp
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/cptest.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 32%] Built target rdShapeHelpers
-[ 32%] Built target SubstructMatch
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/OopBend.cpp
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 32%] Built target rdSLNParse
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend
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-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
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-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
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-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/memtest1.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.cpp
-[ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
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-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
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-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o
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-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake "--color="
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-[ 34%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_moliterators.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionConstraint.cpp
-[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build
+[ 35%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/itertest.cpp
+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
 [ 35%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/memtest1.cpp
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/test2.cpp
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
+make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/cptest.cpp
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build
+[ 36%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 36%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
+[ 36%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/test-valgrind.cpp
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-[ 35%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_queries.cpp
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/querytest.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+[ 36%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_molbundle.cpp
+[ 36%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
+[ 36%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
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+[ 36%] Linking CXX executable smiTest2
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 36%] Built target smiTest2
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-[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
+[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Filters.cpp
-[ 35%] Linking CXX executable graphmolMemTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 36%] Linking CXX executable graphmolIterTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
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+[ 36%] Linking CXX executable moliteratorTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
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+[ 36%] Linking CXX executable test-valgrind
+[ 36%] Linking CXX executable queryTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/test-valgrind.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now "CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o" -o test-valgrind  ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 35%] Built target graphmolMemTest1
+[ 36%] Built target graphmolIterTest
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-[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
+[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.cpp
-[ 35%] Linking CXX executable graphmolIterTest
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-[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
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-[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
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-[ 36%] Linking CXX executable moliteratorTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 36%] Built target moliteratorTestsCatch
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-[ 36%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o
+[ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
+[ 37%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o
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-[ 36%] Linking CXX executable test-valgrind
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-[ 36%] Linking CXX executable smiTest2
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-[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairs.cpp
-[ 37%] Linking CXX shared library ../../lib/libRDKitForceField.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
+[ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 37%] Built target ForceField
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@@ -3634,6 +3684,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o -MF CMakeFiles/testSubgraphs2.dir/test2.cpp.o.d -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/test2.cpp
+[ 37%] Linking CXX executable graphmolMemTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 37%] Built target graphmolMemTest1
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
@@ -3642,24 +3697,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 38%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/catch_tests.cpp
-[ 38%] Linking CXX executable molbundleTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 38%] Built target molbundleTestsCatch
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MACCS.cpp
-[ 38%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.cpp
-[ 38%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
-[ 38%] Linking CXX executable testSubgraphs1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
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+[ 38%] Linking CXX executable graphmolcpTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 38%] Built target testSubgraphs1
+[ 38%] Built target graphmolcpTest
 make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
-[ 38%] Linking CXX executable subgraphsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 38%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp
+[ 38%] Linking CXX executable molbundleTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
-[ 38%] Built target subgraphsCatch
+[ 38%] Built target molbundleTestsCatch
 make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
@@ -3685,17 +3725,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 38%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o -MF CMakeFiles/testPartialCharges.dir/test1.cpp.o.d -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/test1.cpp
-[ 38%] Linking CXX executable testSubgraphs2
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSubgraphs2.dir/test2.cpp.o -o testSubgraphs2  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 38%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2023.09.3 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+[ 38%] Linking CXX executable subgraphsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 38%] Built target testSubgraphs2
-[ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
-[ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+[ 38%] Built target MolAlign
 make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
@@ -3704,37 +3742,32 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
-[ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatParams.cpp
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-[ 38%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
-[ 39%] Linking CXX executable testPartialCharges
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+[ 39%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
+[ 40%] Linking CXX executable testPartialCharges
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+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
+[ 40%] Linking CXX executable testSubgraphs2
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1
+[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSubgraphs2.dir/test2.cpp.o -o testSubgraphs2  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 39%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
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-[ 39%] Built target testPartialCharges
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-[ 39%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
+[ 40%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
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@@ -3743,6 +3776,11 @@
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+[ 41%] Linking CXX executable testSubgraphs1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 41%] Built target testSubgraphs1
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+[ 41%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
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-[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
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-[ 41%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
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-[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
+[ 41%] Linking CXX executable graphmolqueryTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest  ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 41%] Built target rdCIPLabeler
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+[ 41%] Built target graphmolqueryTest
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 41%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.cpp
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+[ 41%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/RDDepictor.cpp
+[ 41%] Linking CXX executable smaTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
+[ 41%] Built target smaTest1
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
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-[ 41%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/CoordGen/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/querytest.cpp
-[ 42%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
+[ 41%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/CoordGen/Wrap/rdCoordGen.cpp
+[ 41%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/EmbeddedFrag.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
+[ 41%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitReducedGraphs.so.1 -o ../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
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-[ 42%] Built target ReducedGraphs
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-[ 42%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
-[ 43%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
-[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 43%] Built target FragCatalog
+[ 41%] Built target ReducedGraphs
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
+[ 41%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/test1.cpp
-[ 43%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
-[ 43%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
+[ 41%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
+[ 41%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
+[ 42%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
+[ 42%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
+[ 42%] Linking CXX executable testReducedGraphs
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testReducedGraphs.dir/test1.cpp.o -o testReducedGraphs  ../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairs.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 43%] Built target Abbreviations
+[ 43%] Built target testReducedGraphs
 make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color="
@@ -3845,8 +3862,35 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 43%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
-[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 43%] Built target MolChemicalFeatures
+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2023.09.3 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 43%] Built target Abbreviations
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
+[ 43%] Linking CXX executable testSLNParse
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 43%] Built target testSLNParse
 make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/DependInfo.cmake "--color="
@@ -3855,115 +3899,99 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 43%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAbbreviations_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -MF CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o.d -o CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
-[ 44%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
-[ 44%] Linking CXX executable testReducedGraphs
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
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-[ 44%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
+[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/DepictUtils.cpp
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
-[ 45%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2023.09.3 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
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-[ 45%] Built target Fingerprints
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-[ 45%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
-[ 45%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
+[ 43%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatParams.cpp
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MACCS.cpp
+[ 43%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdCoordGen.so CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 45%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
+[ 43%] Built target rdCoordGen
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
-[ 45%] Built target MolChemicalFeatures
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.cpp
+[ 43%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 45%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
-[ 45%] Linking CXX executable testSLNParse
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 44%] Built target rdReducedGraphs
+[ 44%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Templates.cpp
+[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
+[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
+[ 44%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 45%] Built target testSLNParse
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
+[ 44%] Built target FilterCatalog
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
-[ 45%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2023.09.3 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+[ 44%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
+[ 44%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
+[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
+[ 45%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 45%] Built target MolAlign
+[ 45%] Built target FragCatalog
+[ 45%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
 [ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
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+[ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
+[ 46%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2023.09.3 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 46%] Built target rdReducedGraphs
-make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
+[ 46%] Built target Depictor
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 46%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/RDDepictor.cpp
-[ 46%] Linking CXX executable graphmolqueryTest
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+[ 46%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
+[ 46%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
+[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/EmbeddedFrag.cpp
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitPathsHelper(const RDKit::AdditionalOutput&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: warning: redundant move in return statement [-Wredundant-move]
-  452 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: note: remove 'std::move' call
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitInfoMapHelper(const RDKit::AdditionalOutput&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: warning: redundant move in return statement [-Wredundant-move]
-  467 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: note: remove 'std::move' call
-make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
+[ 46%] Built target rdAbbreviations
+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/CoordGen/Wrap/rdCoordGen.cpp
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-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp: In function 'boost::python::api::object RDKit::GetAtomMatch(boost::python::api::object, int)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: warning: redundant move in return statement [-Wredundant-move]
-   45 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: note: remove 'std::move' call
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/DepictUtils.cpp
+[ 46%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceFieldHelpers.so.1 -o ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 46%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Templates.cpp
 make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
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-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 46%] Built target rdMolChemicalFeatures
-[ 46%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/TriangleSmooth.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 46%] Built target rdAbbreviations
 make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
@@ -4008,8 +4022,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 47%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
-[ 47%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistViolationContrib.cpp
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp: In function 'boost::python::api::object RDKit::GetAtomMatch(boost::python::api::object, int)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: warning: redundant move in return statement [-Wredundant-move]
+   45 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: note: remove 'std::move' call
 make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
@@ -4018,13 +4035,41 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 47%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
+[ 47%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/TriangleSmooth.cpp
+[ 47%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistViolationContrib.cpp
 [ 48%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralViolationContrib.cpp
-[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 48%] Built target rdMolChemicalFeatures
+[ 48%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+[ 49%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2023.09.3 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 49%] Built target Fingerprints
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
+[ 49%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 48%] Built target rdMHFPFingerprint
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 49%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::UFFConfsHelper(ROMol&, int, int, double, bool)':
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: warning: redundant move in return statement [-Wredundant-move]
    49 |   return std::move(pyres);
@@ -4040,118 +4085,78 @@
    86 |   return std::move(pyres);
       |          ~~~~~~~~~^~~~~~~
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: note: remove 'std::move' call
-[ 48%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
+[ 49%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2023.09.3 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 48%] Built target DistGeometry
+[ 49%] Built target DistGeometry
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend
 make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
 make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
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 make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 48%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
-[ 49%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
-[ 49%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
-[ 49%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
-[ 49%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.cpp
+[ 50%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeom_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap/DistGeom.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
+[ 50%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
+[ 50%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/testDistGeom.cpp
-[ 50%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2023.09.3 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
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-[ 50%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
-[ 50%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
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+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitPathsHelper(const RDKit::AdditionalOutput&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: warning: redundant move in return statement [-Wredundant-move]
+  452 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: note: remove 'std::move' call
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitInfoMapHelper(const RDKit::AdditionalOutput&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: warning: redundant move in return statement [-Wredundant-move]
+  467 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: note: remove 'std::move' call
+[ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o  ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 50%] Built target rdDepictor
+[ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o  ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 50%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.cpp
+[ 50%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 50%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
-[ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 50%] Built target rdForceFieldHelpers
+[ 50%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 50%] Built target rdFingerprintGenerator
-[ 50%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+[ 50%] Built target O3AAlign
 [ 51%] Linking CXX executable testDistGeom
-[ 51%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o  ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 51%] Built target testDistGeom
-[ 51%] Built target rdForceFieldHelpers
 [ 51%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target rdForceField
-[ 51%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target DistGeom
-[ 51%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target O3AAlign
-[ 51%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target DistGeomHelpers
-[ 51%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target rdDepictor
-[ 51%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 51%] Built target rdfiltercatalog
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1
+[ 51%] Built target rdForceField
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemTransforms.so.1 -o ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o  ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so
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@@ -4162,29 +4167,45 @@
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-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
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-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileParser.cpp
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-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/Mol2FileParser.cpp
+[ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
+[ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -MF CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o.d -o CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/CDXMLParser.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/Mol2FileParser.cpp
+[ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileParser.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
+[ 51%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 51%] Built target DistGeom
+[ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileStereochem.cpp
+[ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileWriter.cpp
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
+[ 52%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 52%] Built target DistGeomHelpers
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SDMolSupplier.cpp
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SDWriter.cpp
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
+[ 52%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 52%] Built target rdFingerprintGenerator
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SmilesWriter.cpp
 [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
@@ -4192,6 +4213,11 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TDTWriter.cpp
 [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TplFileParser.cpp
+[ 52%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 52%] Built target rdMHFPFingerprint
 [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TplFileWriter.cpp
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o
@@ -4226,6 +4252,11 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp
+[ 54%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o  ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 54%] Built target rdfiltercatalog
 [ 54%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1
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@@ -4237,97 +4268,97 @@
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 54%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/CoordGen/test.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/testUFFForceField.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build
+make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
+[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
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-make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/molopstest.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
+make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build
+[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/test1.cpp
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+make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testChirality.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build
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-[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
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 [ 54%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
-[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/CoordGen/test.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/test1.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/testUFFForceField.cpp
-[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
+[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/resMolSupplierTest.cpp
-[ 54%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
+make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testPicklerGlobalSettings.cpp
 [ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
-[ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testChirality.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/molopstest.cpp
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+[ 54%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -MF CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o.d -o CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testPickler.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testPicklerGlobalSettings.cpp
-[ 54%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/testMMFFForceField.cpp
 [ 54%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testMolBundle.cpp
 [ 54%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o
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+[ 54%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o
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@@ -4349,55 +4380,55 @@
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+[ 56%] Linking CXX executable hanoiTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
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-[ 55%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
+[ 56%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
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-[ 55%] Linking CXX executable graphmoltestPicklerGlobalSetting
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 55%] Linking CXX executable testCoordGen
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
-[ 55%] Built target graphmoltestPicklerGlobalSetting
+[ 56%] Built target hanoiTest
 make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
+[ 56%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_sgroups.cpp
+[ 56%] Linking CXX executable testCoordGen
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 56%] Linking CXX executable graphmoltestPicklerGlobalSetting
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 55%] Built target testCoordGen
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 56%] Built target testCoordGen
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+[ 56%] Built target graphmoltestPicklerGlobalSetting
+make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend
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-[ 56%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_adjustquery.cpp
-[ 56%] Linking CXX executable testUFFForceField
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build
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-[ 56%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
+[ 57%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_adjustquery.cpp
+[ 57%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_chirality.cpp
-[ 57%] Linking CXX executable hanoiTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 57%] Linking CXX executable testUFFForceField
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 57%] Built target hanoiTest
+[ 57%] Built target testUFFForceField
 make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/canonTestsCatch.dir/DependInfo.cmake "--color="
@@ -4406,51 +4437,51 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_canon.cpp
-[ 57%] Linking CXX executable graphmolTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
+[ 58%] Linking CXX executable graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 57%] Building CXX object Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o
+[ 58%] Building CXX object Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o
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-[ 57%] Linking CXX executable testSGroup
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
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-[ 57%] Linking CXX executable testMMFFForceField
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-[ 57%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
+[ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o -MF CMakeFiles/smiTest1.dir/test.cpp.o.d -o CMakeFiles/smiTest1.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/test.cpp
-[ 57%] Built target testMMFFForceField
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
+[ 58%] Linking CXX executable testSGroup
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 58%] Built target graphmolTest1
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 58%] Built target testSGroup
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
+[ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
-[ 58%] Linking CXX executable graphmolOrganometallicsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target graphmolOrganometallicsCatch
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
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@@ -4458,11 +4489,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/catch_tests.cpp
-[ 58%] Linking CXX executable graphmoltestPickler
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable graphmolSGroupCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target graphmoltestPickler
+[ 58%] Built target graphmolSGroupCatch
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/DependInfo.cmake "--color="
@@ -4471,11 +4502,14 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -MF CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o.d -o CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp
+[ 58%] Linking CXX executable graphmolAdjustQueryCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 58%] Linking CXX executable graphmoltestChirality
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target graphmoltestChirality
+[ 58%] Built target graphmolAdjustQueryCatch
 make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake "--color="
@@ -4484,11 +4518,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/testDepictor.cpp
-[ 58%] Linking CXX executable graphmolSGroupCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target graphmolSGroupCatch
+[ 58%] Built target graphmoltestChirality
 make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color="
@@ -4497,30 +4528,30 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 58%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/catch_tests.cpp
+[ 58%] Linking CXX executable graphmoltestPickler
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 [ 58%] Linking CXX executable canonTestsCatch
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target canonTestsCatch
+[ 58%] Built target graphmoltestPickler
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend
+[ 58%] Built target canonTestsCatch
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Crippen.cpp
-[ 58%] Linking CXX executable graphmolAdjustQueryCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 58%] Built target graphmolAdjustQueryCatch
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+make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Crippen.cpp
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@@ -4528,34 +4559,34 @@
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+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/BCUT.cpp
+[ 58%] Linking CXX executable cxsmilesTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 59%] Linking CXX executable nontetrahedralCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 59%] Built target cxsmilesTest
+[ 59%] Built target nontetrahedralCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
@@ -4579,30 +4610,23 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testMolWriter.cpp
 [ 60%] Linking CXX executable graphmolTestsCatch
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
+[ 60%] Linking CXX executable testGeneralFileReader
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 60%] Built target graphmolTestsCatch
-[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors.cpp
-[ 60%] Linking CXX executable testMultithreadedMolSupplier
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 60%] Built target testMultithreadedMolSupplier
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build
+[ 60%] Built target testGeneralFileReader
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
 [ 60%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o -MF CMakeFiles/testTplParser.dir/testTpls.cpp.o.d -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testTpls.cpp
-[ 60%] Linking CXX executable testGeneralFileReader
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 60%] Built target testGeneralFileReader
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color="
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@@ -4610,13 +4634,11 @@
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 [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
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-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolSurf.cpp
-[ 61%] Linking CXX executable depictorCatch
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+[ 61%] Linking CXX executable testMultithreadedMolSupplier
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
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 make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend
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-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.cpp
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+[ 62%] Linking CXX executable chiralityTestsCatch
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-[ 61%] Linking CXX executable testMol2ToMol
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Linking CXX executable chiralityTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
+[ 62%] Linking CXX executable depictorCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target testTplParser
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 62%] Built target depictorCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target testMol2ToMol
+[ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/file_parsers_catch.cpp
+[ 62%] Linking CXX executable testTplParser
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 62%] Linking CXX executable testMol2ToMol
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 62%] Linking CXX executable testSequence
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 62%] Built target testTplParser
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/depend
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-[ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/file_parsers_catch.cpp
+[ 62%] Linking CXX executable graphmolMolOpsTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -MF CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o.d -o CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testPropertyLists.cpp
-[ 62%] Linking CXX executable smiTestCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target chiralityTestsCatch
+[ 62%] Built target testSequence
 make  -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color="
@@ -4683,24 +4706,18 @@
 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target smiTestCatch
+[ 62%] Built target testMol2ToMol
 make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 62%] Built target graphmolMolOpsTest
+make  -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/depend
 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
-[ 62%] Linking CXX executable testSequence
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 62%] Linking CXX executable graphmolMolOpsTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target testSequence
-make  -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/DependInfo.cmake "--color="
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@@ -4708,15 +4725,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -MF CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o.d -o CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp
+[ 62%] Linking CXX executable smiTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target graphmolMolOpsTest
-[ 62%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
-[ 62%] Linking CXX executable testExtendedStereoParsing
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target testExtendedStereoParsing
+[ 62%] Built target smiTest1
 make  -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/DependInfo.cmake "--color="
@@ -4725,11 +4738,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -MF CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o.d -o CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/connectTheDots_catch.cpp
-[ 62%] Linking CXX executable testMolWriter
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 62%] Linking CXX executable smiTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 62%] Built target testMolWriter
+[ 62%] Built target smiTestCatch
 make  -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color="
@@ -4738,285 +4751,259 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 62%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o -MF CMakeFiles/testSubstructMatch.dir/test1.cpp.o.d -o CMakeFiles/testSubstructMatch.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/test1.cpp
-[ 63%] Linking CXX executable testMolSupplier
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MQN.cpp
+[ 62%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors.cpp
+[ 62%] Linking CXX executable testExtendedStereoParsing
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 64%] Built target testMolSupplier
+[ 62%] Built target testExtendedStereoParsing
 make  -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
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-[ 64%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
+[ 63%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
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-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
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-[ 64%] Linking CXX executable molfileStereoCatchTest
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+[ 63%] Linking CXX executable connectTheDotsTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
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+[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolSurf.cpp
+[ 63%] Linking CXX executable XYZFileParserCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 63%] Built target XYZFileParserCatchTest
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+[ 63%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -MF CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o.d -o CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp
-[ 64%] Linking CXX executable testPropertyLists
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+[ 63%] Linking CXX executable molfileStereoCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1
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-[ 65%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
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-[ 65%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
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-[ 66%] Linking CXX executable fileParsersTest1
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/EEM.cpp
+[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.cpp
+[ 63%] Linking CXX executable testGenericGroups
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
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+[ 63%] Linking CXX executable substructTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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+[ 63%] Built target substructTestCatch
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend
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-[ 66%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/test1.cpp
-[ 66%] Linking CXX executable testSubstructMatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
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-[ 66%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
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-[ 66%] Linking CXX executable testGenericGroups
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-[ 66%] Built target testGenericGroups
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PBF.cpp
-[ 67%] Linking CXX executable testFragCatalog
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 67%] Linking CXX executable filterCatalogTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Built target testFragCatalog
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o -MF CMakeFiles/Descriptors.dir/PMI.cpp.o.d -o CMakeFiles/Descriptors.dir/PMI.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PMI.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Built target filterCatalogTest
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/test1.cpp
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-[ 67%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
+[ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
+[ 63%] Linking CXX executable testPropertyLists
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 63%] Built target testPropertyLists
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-[ 67%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
+[ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
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-[ 67%] Linking CXX executable testChemTransforms
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
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+[ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+[ 64%] Linking CXX executable filterCatalogTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 64%] Built target filterCatalogTest
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/DependInfo.cmake "--color="
-[ 67%] Built target testChemTransforms
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 64%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/catch_tests.cpp
+[ 64%] Linking CXX executable testFragCatalog
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
+[ 64%] Linking CXX executable testSubstructMatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 64%] Built target testSubstructMatch
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 67%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/catch_tests.cpp
-[ 67%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
+[ 64%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
-[ 67%] Linking CXX executable testMHFPFingerprint
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
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-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o -MF CMakeFiles/Descriptors.dir/RDF.cpp.o.d -o CMakeFiles/Descriptors.dir/RDF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/RDF.cpp
-[ 67%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o  ../../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Built target testMHFPFingerprint
+[ 64%] Built target testFragCatalog
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
+[ 64%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/test1.cpp
-[ 67%] Built target rdfragcatalog
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o -MF CMakeFiles/Descriptors.dir/MORSE.cpp.o.d -o CMakeFiles/Descriptors.dir/MORSE.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MORSE.cpp
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/GETAWAY.cpp
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/WHIM.cpp
-[ 67%] Linking CXX executable chemTransformsTestCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -o chemTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 64%] Linking CXX executable testMHFPFingerprint
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint  ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Built target chemTransformsTestCatch
-[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/CoulombMat.cpp
+[ 64%] Built target testMHFPFingerprint
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 64%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
+[ 65%] Linking CXX executable fileParsersTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 65%] Linking CXX executable testChemTransforms
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 65%] Built target fileParsersTest1
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/depend
+[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
-[ 67%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
+[ 65%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
-[ 67%] Linking CXX executable fileParsersCatchTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 67%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o
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+[ 65%] Linking CXX executable chemTransformsTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -o chemTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 67%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -MF CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o.d -o CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp
+[ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MQN.cpp
+[ 66%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
+[ 66%] Linking CXX executable testMolTransforms
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 66%] Built target testMolTransforms
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o
+[ 66%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
-[ 67%] Linking CXX executable testMolTransforms
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 67%] Linking CXX executable fpGenTestCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 67%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 67%] Built target testMolTransforms
+[ 67%] Built target testMMFFForceFieldHelpersMultiThread
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/DependInfo.cmake "--color="
@@ -5025,6 +5012,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 67%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
+[ 67%] Linking CXX executable fpGenTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 67%] Built target fpGenTestCatch
 make  -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/depend
@@ -5035,961 +5025,984 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 67%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_PYTHON_MAX_ARITY=32 -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDistGeom_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp
-[ 67%] Linking CXX executable testFingerprintGenerators
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators  ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 68%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 67%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Property.cpp
+[ 67%] Linking CXX executable fpTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 68%] Built target testFingerprintGenerators
+[ 67%] Built target fpTestCatch
 make  -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color="
-[ 68%] Built target testMMFFForceFieldHelpersMultiThread
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 67%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/catch_tests.cpp
+[ 67%] Linking CXX executable testCrystalForceField
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -o testCrystalForceField  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 67%] Linking CXX executable fileParsersCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 67%] Built target testCrystalForceField
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/catch_tests.cpp
-[ 68%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
+[ 67%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
-[ 68%] Linking CXX executable fpTestCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
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+[ 67%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
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-[ 69%] Linking CXX executable testFingerprints
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-[ 69%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
+[ 67%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
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-[ 69%] Linking CXX executable testCrystalForceField
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+[ 67%] Linking CXX executable testFingerprintGenerators
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
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-[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
+[ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
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-[ 69%] Linking CXX executable testMMFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 67%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
+[ 67%] Linking CXX executable testUFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 69%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
+[ 67%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
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-[ 69%] Linking CXX executable testShapeHelpers
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers  ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o -MF CMakeFiles/FMCS.dir/Seed.cpp.o.d -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Seed.cpp
-[ 69%] Linking CXX executable molAlignCatchTest
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+[ 68%] Linking CXX executable testFingerprints
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
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-[ 69%] Built target molAlignCatchTest
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-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
+[ 68%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalMCES.cpp
-[ 69%] Linking CXX executable distGeomHelpersCatch
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 69%] Built target distGeomHelpersCatch
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalCluster.cpp
-[ 69%] Linking CXX executable testUFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 69%] Built target testUFFForceFieldHelpers
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
-[ 69%] Linking CXX executable testMolCatalog
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog  ../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 69%] Linking CXX executable testFeatures
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
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+[ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
+[ 68%] Linking CXX executable testShapeHelpers
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 69%] Built target testMolCatalog
+[ 68%] Built target testShapeHelpers
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-[ 69%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
+[ 68%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
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+[ 68%] Linking CXX executable distGeomHelpersCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/distGeomHelpersCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 69%] Built target testFeatures
-[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
-[ 69%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2023.09.3 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 69%] Built target MMPA
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-[ 69%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
+[ 68%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -MF CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o.d -o CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Trajectory/trajectoryTest.cpp
-[ 69%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
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+[ 68%] Linking CXX executable testMolCatalog
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog  ../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
-[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
-[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
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-[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalResult.cpp
-[ 71%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 68%] Built target testMolCatalog
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 72%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -MF CMakeFiles/molInterchangeTest1.dir/test1.cpp.o.d -o CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/test1.cpp
-[ 72%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2023.09.3 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o  ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
-[ 72%] Linking CXX executable testDistGeomHelpers
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
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+[ 69%] Linking CXX executable molAlignCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 72%] Built target Descriptors
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-[ 72%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -MF CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o.d -o CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/molinterchange_catch.cpp
+[ 69%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
+[ 69%] Linking CXX executable testFeatures
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures  ../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 69%] Built target testFeatures
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-[ 72%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
+[ 69%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
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-[ 73%] Linking CXX executable trajectoryTest
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
+[ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
+[ 69%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2023.09.3 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
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-[ 73%] Built target trajectoryTest
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
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-[ 73%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/MDLParser.cpp
-[ 73%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/DaylightParser.cpp
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend
+make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build
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+[ 69%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
+[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
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+[ 69%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/test.cpp
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend
+[ 69%] Built target rdDistGeom
+make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
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-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
+[ 69%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
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+[ 69%] Linking CXX executable testDistGeomHelpers
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers  ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 70%] Linking CXX executable trajectoryTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 70%] Built target trajectoryTest
+[ 70%] Built target testDistGeomHelpers
+[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
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+[ 70%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
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+[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/AtomFeat.cpp
+[ 70%] Linking CXX executable molInterchangeTest1
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+[ 70%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o  ../../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 70%] Built target rdfragcatalog
+[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
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+[ 70%] Linking CXX executable testMMPA
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 70%] Built target molInterchangeTest1
+[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/EEM.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 70%] Built target testMMPA
+[ 70%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
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+[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PBF.cpp
+[ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 72%] Linking CXX executable molInterchangeCatchTest
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
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+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 72%] Built target testAbbreviations
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
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+[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 72%] Built target rdMMPA
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
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+[ 72%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
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+[ 72%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
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+[ 73%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
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 [ 73%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1
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-[ 73%] Linking CXX executable molInterchangeTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 73%] Built target FMCS
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testATF.cpp
+[ 74%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/testFMCS_Unit.cpp
+[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 76%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testBCUT.cpp
-[ 73%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
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-[ 73%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionDepict.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 77%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Test/testFMCS.cpp
+[ 77%] Linking CXX executable testCIPLabeler
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 74%] Built target molInterchangeCatchTest
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Sort.cpp
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 74%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
+[ 77%] Built target testCIPLabeler
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: In function 'boost::python::api::object {anonymous}::degenerateSmartsQueryMolDictHelper(const RDKit::MCSResult&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: warning: redundant move in return statement [-Wredundant-move]
+  646 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: note: remove 'std::move' call
+[ 77%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2023.09.3 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2023.09.3 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 74%] Built target RascalMCES
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/depend
+[ 77%] Built target RascalMCES
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
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-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/mces_catch.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
+[ 77%] Linking CXX executable FMCStest
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 74%] Built target testATF
-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/MoleculeParser.cpp
-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.cpp
-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
-[ 74%] Linking CXX executable testBCUT
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
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+[ 77%] Built target FMCStest
+[ 77%] Linking CXX executable testFMCS
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 77%] Built target testFMCS
+[ 77%] Linking CXX executable testRascalCluster
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 77%] Built target testRascalCluster
+[ 77%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
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+[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 74%] Built target testBCUT
+[ 77%] Built target rdFMCS
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 77%] Built target Descriptors
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend
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 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/depend
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build
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-[ 74%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -MF CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o.d -o CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testRDFcustom.cpp
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-make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build
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-[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
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+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o
+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o -MF CMakeFiles/testEEM.dir/testEEM.cpp.o.d -o CMakeFiles/testEEM.dir/testEEM.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testEEM.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testATF.cpp
+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o -MF CMakeFiles/testRDF.dir/testRDF.cpp.o.d -o CMakeFiles/testRDF.dir/testRDF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testRDF.cpp
+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/test.cpp
+[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
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+[ 77%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o -MF CMakeFiles/test3D.dir/test3D.cpp.o.d -o CMakeFiles/test3D.dir/test3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/test3D.cpp
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-[ 76%] Linking CXX executable testRDF
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+[ 78%] Linking CXX executable testRascalMCES
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
+[ 78%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
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-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
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-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
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+[ 78%] Linking CXX executable testATF
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
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-[ 77%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 77%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 77%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 77%] Linking CXX executable testMORSE
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+[ 78%] Linking CXX executable testRDF
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 78%] Linking CXX executable testBCUT
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
+[ 78%] Built target testRDF
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+[ 78%] Linking CXX executable testMORSE
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
+[ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -MF CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o.d -o CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testAUTOCORR3D.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/DependInfo.cmake "--color="
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+[ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -MF CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o.d -o CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testCoulombMat.cpp
-[ 78%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -MF CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o.d -o CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/testAUTOCORR3D.cpp
+[ 79%] Linking CXX executable testAUTOCORR2D
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 79%] Linking CXX executable testEEM
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testEEM.dir/testEEM.cpp.o -o testEEM  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 79%] Built target testMORSE
 make  -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/DependInfo.cmake "--color="
+[ 79%] Linking CXX executable testPBF
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1
+[ 79%] Built target testEEM
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/depend
-make  -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color="
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+[ 80%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/catch_tests.cpp
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build
+[ 80%] Built target testAUTOCORR2D
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
-[ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/testMolAlign.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/catch_tests.cpp
-[ 80%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
+make  -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend
+[ 81%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDescriptors_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -MF CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o.d -o CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build
+[ 81%] Built target testPBF
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[ 81%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/testMolAlign.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/MDLParser.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Built target testCoulombMat
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build
+[ 82%] Built target testCoulombMat
+[ 82%] Built target testAUTOCORR3D
+[ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionPickler.cpp
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionWriter.cpp
+[ 83%] Linking CXX executable test3D
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 83%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
-[ 83%] Built target testAUTOCORR3D
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
+[ 83%] Built target test3D
 [ 83%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/normalize.cpp
-[ 83%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
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+[ 83%] Linking CXX executable testMolAlign
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
+[ 83%] Built target testMolAlign
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionDepict.cpp
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
 [ 83%] Linking CXX executable descriptorsTestCatch
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: In function 'boost::python::api::object {anonymous}::degenerateSmartsQueryMolDictHelper(const RDKit::MCSResult&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: warning: redundant move in return statement [-Wredundant-move]
-  646 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: note: remove 'std::move' call
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionUtils.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Linking CXX executable testMolAlign
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
 [ 83%] Built target descriptorsTestCatch
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 83%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/mces_catch.cpp
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/MoleculeParser.cpp
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.cpp
+[ 83%] Linking CXX executable testDescriptors
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Built target testMolAlign
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
+[ 83%] Built target testDescriptors
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
+[ 83%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2023.09.3 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
+[ 83%] Built target MolHash
+make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
+make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
-[ 83%] Linking CXX executable testMMPA
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
+[ 83%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
 [ 83%] Linking CXX executable testO3AAlign
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -o testMMPA  ../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/catch_tests.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign  ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 83%] Linking CXX executable FMCStest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest  ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 83%] Built target testMMPA
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
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-[ 83%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Deprotect.cpp
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-[ 83%] Built target FMCStest
-[ 84%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
-[ 84%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/PositionVariation.cpp
-[ 84%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
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-[ 84%] Built target MolHash
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build
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-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolops.cpp
-[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
+[ 83%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/PNGParser.cpp
+[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o  ../../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 84%] Built target rdMolAlign
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MolOps.cpp
-[ 84%] Linking CXX executable testRascalCluster
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 83%] Built target rdMolAlign
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/CDXMLParser.cpp
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 84%] Built target testRascalCluster
-[ 84%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/LinkNode.cpp
-[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o  ../../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 84%] Built target rdMolHash
+[ 84%] Linking CXX executable molHashCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolHash.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 84%] Built target rdMMPA
-[ 84%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ChiralityOps.cpp
-[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
-[ 84%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2023.09.3 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2023.09.3 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
-[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
+[ 84%] Built target molHashCatchTest
+[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 84%] Built target rdMolDescriptors
+[ 84%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 84%] Built target rdFMCS
-[ 84%] Built target Deprotect
+[ 84%] Built target ChemReactions
 make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/depend
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/depend
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/depend
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/depend
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend
+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
 [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
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+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp
+[ 84%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o -MF CMakeFiles/testReaction.dir/testReaction.cpp.o.d -o CMakeFiles/testReaction.dir/testReaction.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testReaction.cpp
 [ 85%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinWriter.cpp
-[ 85%] Linking CXX executable testFMCS
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinParser.cpp
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinWriter.cpp
+[ 85%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinDefs.cpp
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+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build
+[ 85%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Deprotect.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolops.cpp
 [ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/MolStandardize.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
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+[ 86%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2023.09.3 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 86%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
-[ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Metal.cpp
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-[ 86%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
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-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
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-[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
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+[ 86%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
+[ 86%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/PositionVariation.cpp
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-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
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-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Charge.cpp
+[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Metal.cpp
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Normalize.cpp
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+[ 86%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
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+[ 86%] Linking CXX executable deprotectTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
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 [ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
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-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ChiralityOps.cpp
+[ 86%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/LinkNode.cpp
+[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Validate.cpp
+[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
+[ 86%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 87%] Linking CXX executable rxnTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Charge.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
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-[ 86%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build
+[ 87%] Built target MarvinParser
+[ 87%] Built target rxnTestCatch
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/depend
+make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend
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-[ 86%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
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-make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 86%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
-[ 86%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
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-[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Fragment.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 87%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/testMrvToMol.cpp
+[ 87%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
+[ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
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-[ 88%] Linking CXX executable rxnTestCatch
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 [ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
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-[ 88%] Linking CXX executable molHashCatchTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolHash.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 88%] Built target molHashCatchTest
-[ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
-[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 88%] Built target rdMolHash
-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
-[ 89%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
+[ 89%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 89%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 89%] Built target MarvinParser
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
+[ 89%] Built target rdDeprotect
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build
+[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 89%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
-[ 89%] Linking CXX executable deprotectTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdchem.cpp
+[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Tautomer.cpp
+[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Fragment.cpp
+[ 89%] Linking CXX executable testMrvToMol
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+[ 89%] Built target testMrvToMol
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 89%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolfiles.cpp
 [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
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+[ 89%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
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-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
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-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
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-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
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-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
 In file included from /usr/include/c++/13/algorithm:60,
                  from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
 In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
@@ -6020,86 +6033,10 @@
 /usr/include/c++/13/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
   151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
       |                                                       ^
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolfiles.cpp
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-[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
-[ 93%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
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-[ 93%] Linking CXX executable testMolEnumerator
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-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Table.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MaeWriter.cpp
-[ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
-[ 94%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Atom.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SDMolSupplier.cpp
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-[ 94%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
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+[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
+[ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp
 In file included from /usr/include/boost/python/override.hpp:13,
                  from /usr/include/boost/python/wrapper.hpp:8,
                  from /usr/include/boost/python/object/value_holder.hpp:15,
@@ -6127,111 +6064,217 @@
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: note: '<anonymous>' declared here
    48 |   size_t num_bbs = python::extract<unsigned int>(bbs.attr("__len__")());
       |                            ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Bond.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Mol.cpp
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Conformer.cpp
-[ 94%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
+[ 90%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 90%] Built target rdmolops
+[ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
+[ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
+[ 90%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 91%] Built target MolEnumerator
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
+[ 91%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Table.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 92%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
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+[ 92%] Linking CXX executable testReaction
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 92%] Built target testReaction
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
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-[ 94%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Bond.cpp
+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
+[ 92%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcairo.so
-[ 94%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
-[ 94%] Built target MolDraw2D
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/TDTWriter.cpp
-[ 94%] Built target MolStandardize
-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/PDBWriter.cpp
+[ 92%] Built target MolDraw2D
 make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
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-[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/EditableMol.cpp
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-[ 95%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
+[ 93%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/test1.cpp
-[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MonomerInfo.cpp
-[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
-[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
-[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MolBundle.cpp
+[ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
+[ 94%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 97%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
+[ 94%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
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+[ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
+[ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
+[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Mol.cpp
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MaeMolSupplier.cpp
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MaeWriter.cpp
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Conformer.cpp
+[ 95%] Linking CXX executable testMolEnumerator
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 95%] Built target testMolEnumerator
 make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 97%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
+[ 95%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/rxn_test1.cpp
-[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/StereoGroup.cpp
-[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SubstanceGroup.cpp
+[ 95%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 97%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
+[ 95%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 97%] Built target rdChemReactions
-[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
-[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Chirality.cpp
+[ 95%] Built target rdChemReactions
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
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+[ 95%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 95%] Built target MolStandardize
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 95%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
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+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
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+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SDMolSupplier.cpp
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
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+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MonomerInfo.cpp
+[ 95%] Linking CXX executable moldraw2DRxnTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 95%] Built target moldraw2DRxnTest1
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
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-[ 97%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
+[ 95%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/test1.cpp
+[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
+[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MolBundle.cpp
+[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/StereoGroup.cpp
+[ 96%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 96%] Built target TautomerQuery
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-[ 97%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testNormalize.cpp
+[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SmilesWriter.cpp
+[ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SubstanceGroup.cpp
+[ 97%] Linking CXX executable molStandardizeTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Built target molStandardizeTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color="
@@ -6240,11 +6283,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 97%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testValidate.cpp
-[ 97%] Linking CXX executable moldraw2DRxnTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+[ 97%] Linking CXX executable moldraw2DTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 97%] Built target moldraw2DRxnTest1
+[ 97%] Built target moldraw2DTest1
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color="
@@ -6253,9 +6296,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 97%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testCharge.cpp
-[ 97%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so
+[ 97%] Linking CXX executable molNormalizeTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Built target molNormalizeTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
@@ -6264,8 +6309,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [ 97%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testTautomer.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 97%] Built target rdmolfiles
+[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Chirality.cpp
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
@@ -6274,9 +6319,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/test2.cpp
+[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/SDWriter.cpp
+[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/TDTWriter.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Built target molValidateTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 97%] Built target molValidateTest
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Linking CXX executable molChargeTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 97%] Built target molNormalizeTest
+[ 97%] Built target molChargeTest
 make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/depend
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@@ -6308,187 +6357,159 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp
-[ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
-[ 97%] Linking CXX executable molChargeTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
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+[ 97%] Linking CXX executable molStandardizeSmallTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
+[ 97%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp
-[ 98%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
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+[ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
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+[ 97%] Linking CXX executable molFragmentTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
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+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 98%] Built target rdchem
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 97%] Built target molFragmentTest
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 98%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
-[ 98%] Linking CXX executable moldraw2DTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
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-[ 98%] Linking CXX executable molStandardizeSmallTest
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[ 97%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/catch_tests.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Built target rdMolDraw2D
+make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 97%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
+[ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/PDBWriter.cpp
+[ 98%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
+[ 98%] Linking CXX executable molTautomerTest
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 98%] Built target molTautomerTest
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 98%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
+[ 98%] Linking CXX executable moldraw2DTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 98%] Built target moldraw2DTestCatch
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 98%] Built target moldraw2DTest1
-[ 98%] Built target molStandardizeSmallTest
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 98%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
+[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 98%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
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 [ 98%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
-[ 98%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
-[ 98%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
-[ 98%] Linking CXX executable molTautomerTest
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
-[ 98%] Built target TautomerQuery
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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+[ 98%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
+[ 98%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
+[ 98%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
+make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
+make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
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+[ 98%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
+[ 99%] Linking CXX executable tautomerQueryTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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-[ 98%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[ 98%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/catch_tests.cpp
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
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+[ 99%] Built target tautomerQueryTestCatch
+[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
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-[ 98%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
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-[ 98%] Built target molTautomerTest
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
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-[ 98%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
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-[ 98%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
-[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[ 99%] Built target molStandardizeCatchTest
+[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
+[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
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+[100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
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-[100%] Linking CXX executable tautomerQueryTestCatch
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 [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
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+[100%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
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-[100%] Built target tautomerQueryTestCatch
+[100%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
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 [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
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-[100%] Linking CXX executable moldraw2DTestCatch
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[100%] Built target moldraw2DTestCatch
+[100%] Built target rdmolfiles
 [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
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-[100%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
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 [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-[100%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
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-[100%] Built target rdScaffoldNetwork
 [100%] Built target testScaffoldNetwork
-[100%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
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-[100%] Built target rdTautomerQuery
 [100%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
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 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -6516,11 +6537,21 @@
 [100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
 [100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
+[100%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
 [100%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
-[100%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
+[100%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o  ../../../../lib/libRDKitScaffoldNetwork.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[100%] Built target rdScaffoldNetwork
+[100%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o  ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libpython3.11.so /usr/lib/x86_64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+[100%] Built target rdMolStandardize
 [100%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o  ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
@@ -6528,8 +6559,6 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [100%] Built target RGroupDecomposition
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/depend
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend
 make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/depend
@@ -6538,36 +6567,38 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
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 [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
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+[100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
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-[100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/catch_tests.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
 [100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
 [100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
@@ -6619,11 +6650,11 @@
 [100%] Linking CXX executable substructLibraryTest
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest  ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
-[100%] Built target substructLibraryTest
 [100%] Linking CXX executable substructLibraryCatchTest
 cd /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so /usr/lib/x86_64-linux-gnu/libboost_system.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so /usr/lib/x86_64-linux-gnu/libboost_iostreams.so /usr/lib/x86_64-linux-gnu/libboost_regex.so -ldl
+[100%] Built target substructLibraryTest
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 [100%] Built target substructLibraryCatchTest
 [100%] Linking CXX executable testRGroupDecomp
@@ -6937,73 +6968,73 @@
 Searching for files to exclude
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 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol
-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog
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-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition
-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GenericGroups
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS
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-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Trajectory
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/tutorial
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-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/libs
-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DetermineBonds
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers
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-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DetermineBonds
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Fonts
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/Demo
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers
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+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler
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-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ML/Cluster/Murtagh
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ML/Data
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ML/Cluster
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ML/Cluster/Murtagh
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/DataManip
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers
@@ -7016,9 +7047,9 @@
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Numerics
+Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers
-Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Geometry
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/Features
 Searching for files in directory /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures
@@ -7850,10 +7881,10 @@
  'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupRows &rgr, const std::string &prefix="")' at line 85 of file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h
  'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupColumn &rgr, const std::string &prefix="")' at line 89 of file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:534: warning: Found unknown command '\overloadquery'
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override'
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override'
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override'
@@ -10625,12 +10656,13 @@
 12: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testDiscreteValueVect.py"
 12: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap
 12: Test timeout computed to be: 1500
-3: [07:09:10] Testing Github940: property dictionaries leaking memory
-3: [07:09:10] 	done
+3: [03:13:01] Testing Github940: property dictionaries leaking memory
+3: [03:13:01] 	done
 3: Testing RDValue
 3: Testing RDAny
 3: dict set int vect
 3: dict get int vect
+3: static boost any:0.09728 s
 4: -- running tests -- 
 4: min: -2147483648 -2147483648
 4: min: 0 0
@@ -10643,31 +10675,17 @@
 4: == unsigned int
 4: == bool
 4: == std::string
-5: [07:09:10] 
+5: [03:13:01] 
 5: -----------------------------------------
-5: [07:09:10] Finished: testPushAndPop() 
-5: [07:09:10] 
+5: [03:13:01] Finished: testPushAndPop() 
+5: [03:13:01] 
 5: -----------------------------------------
-5: [07:09:10] 
+5: [03:13:01] 
 5: -----------------------------------------
-6: Randomness seeded to: 2577797847
+6: Randomness seeded to: 1649440805
 6: ===============================================================================
 6: All tests passed (32 assertions in 2 test cases)
 6: 
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: Randomness seeded to: 3209443624
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: [07:09:10] should not be silent
-7: ===============================================================================
-7: All tests passed (26 assertions in 3 test cases)
-7: 
 8: 10, 11, 14, 
 8: t1: 10, 11, 14, 
 8: t2: 10, 11, 15, 17, 
@@ -10684,11 +10702,8 @@
 8: t1^t2: 14, 15, 17, 
 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
 8:  except 
-  1/222 Test   #4: testRDValue ............................   Passed    0.03 sec
-  2/222 Test   #6: dictTestsCatch .........................   Passed    0.02 sec
-  3/222 Test   #7: logTestsCatch ..........................   Passed    0.02 sec
-  4/222 Test   #8: testDataStructs ........................   Passed    0.02 sec
-  5/222 Test   #9: testFPB ................................   Passed    0.01 sec
+  1/222 Test   #4: testRDValue ............................   Passed    0.22 sec
+  2/222 Test   #6: dictTestsCatch .........................   Passed    0.20 sec
 test 13
         Start  13: pySparseIntVect
 
@@ -10701,24 +10716,262 @@
 14: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testFPB.py"
 14: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataStructs/Wrap
 14: Test timeout computed to be: 1500
+  3/222 Test   #8: testDataStructs ........................   Passed    0.16 sec
 test 15
         Start  15: testTransforms
 
 15: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/testTransforms
 15: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry
 15: Test timeout computed to be: 1500
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: Randomness seeded to: 3653981782
+7: [03:13:01] should not be silent
+  4/222 Test   #9: testFPB ................................   Passed    0.15 sec
 test 16
         Start  16: testGrid
 
 16: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/testGrid
 16: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry
 16: Test timeout computed to be: 1500
+15: ****************************************
+15: testPointND
+15: ****************************************
+15: testPointOps3D
+15: ****************************************
+15: testPointOps2D
+15: ****************************************
+15: test12D
+15: ref1: 1.00709 0.385075  ref2: 0.529855 1.10646 
+15: pt1: 4.24007 2.4235  pt2: 3.61718 4.80236 
+15: ****************************************
+15: test23D
+15: ****************************************
+15: test3MatMultiply
+15: Pt1: 1 0 0  Pt2: 2 0 0 
+15: -Pt1: -1 -0 -0 
+15: tp1: 0 0 0  tp2: 0 0 0 
+15: tp1: 0 0 0  tp2: 0 0 0 
+15: tp1: 0 0 3  tp2: 0 0 3 
+15: npt1: 0 0 3  npt2: 0 0 4 
+15: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
+15: ****************************************
+15: testFromQuaternion
+15: ****************************************
+  5/222 Test  #15: testTransforms .........................   Passed    0.04 sec
 test 17
         Start  17: geometryTestsCatch
 
 17: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/geometryTestsCatch
 17: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry
 17: Test timeout computed to be: 1500
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: [03:13:01] should not be silent
+7: ===============================================================================
+7: All tests passed (26 assertions in 3 test cases)
+7: 
+  6/222 Test   #7: logTestsCatch ..........................   Passed    0.24 sec
+test 18
+        Start  18: testPyGeometry
+
+18: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/testGeometry.py"
+18: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap
+18: Test timeout computed to be: 1500
+16: ***********************************************************
+16: Testing Grid
+16: 	---------------------------------
+16: 	 testUniformGrid1 
+16: 
+16: 	---------------------------------
+16: 	 testUniformGrid2 
+16: 
+16: 	---------------------------------
+16: 	 testUniformGridPickling 
+16: 
+16: 	---------------------------------
+16: 	 testGridOps 
+16: 
+16: 	---------------------------------
+16: 	 testUniformGridIndexing 
+16: 
+  7/222 Test  #16: testGrid ...............................   Passed    0.08 sec
+test 19
+        Start  19: testMatrices
+
+19: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/testMatrices
+19: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics
+19: Test timeout computed to be: 1500
+3: dynamic boost any:0.255075 s
+3: static RDAny:0.034001 s
+19: [03:13:01] -----------------------------------------
+19: [03:13:01] Testing RDNumerics: vectors and matrices Code
+19: [03:13:01] ---------------------------------------
+19: [03:13:01] 	 test1Vector
+19: [03:13:01] ---------------------------------------
+19: [03:13:01] 	 test2Matrix
+19: [03:13:01] ---------------------------------------
+19: [03:13:01] 	 test3SquareMatrix
+19: [03:13:01] ---------------------------------------
+19: [03:13:01] 	 test4SymmMatrix
+  8/222 Test  #19: testMatrices ...........................   Passed    0.08 sec
+test 20
+        Start  20: testConrec
+
+20: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/testConrec
+20: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics
+20: Test timeout computed to be: 1500
+17: Randomness seeded to: 1874012161
+17: ===============================================================================
+17: All tests passed (50 assertions in 5 test cases)
+17: 
+  9/222 Test  #17: geometryTestsCatch .....................   Passed    0.20 sec
+test 21
+        Start  21: testAlignment
+
+21: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/testAlignment
+21: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment
+21: Test timeout computed to be: 1500
+ 10/222 Test  #10: testMultiFPB ...........................   Passed    0.41 sec
+test 22
+        Start  22: pyAlignment
+
+22: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/testAlignment.py"
+22: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap
+22: Test timeout computed to be: 1500
+21: -----------------------------------------
+21: Testing Alignment Code
+21: ---------------------------------------
+21: 	 testBasic
+21: ---------------------------------------
+21: 	 testTriangle
+21: ---------------------------------------
+21: 	 testFourPts
+21: ---------------------------------------
+21: 	 testReflection
+21: ---------------------------------------
+ 11/222 Test  #21: testAlignment ..........................   Passed    0.06 sec
+test 23
+        Start  23: testOptimizer
+
+23: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
+23: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer
+23: Test timeout computed to be: 1500
+23: -------------------------------------
+23: Testing linear search.
+23:   done
+23: -------------------------------------
+23: Testing BFGS optimization.
+23:   done
+ 12/222 Test  #23: testOptimizer ..........................   Passed    0.04 sec
+test 24
+        Start  24: testUFFForceField
+
+24: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF/testUFFForceField
+24: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF
+24: Test timeout computed to be: 1500
+3: dynamic RDAny:0.233604 s
+3: static RDValue:0 s
+3: dynamic RDValue:0.034018 s
+3: deleted!
+3: [03:13:01] -------------------------------------
+3: [03:13:01] Testing String Pickle Roundtrips.
+3: [03:13:01] 	done
+3: [03:13:01] -------------------------------------
+3: [03:13:01] Testing conversion of vect to string.
+3: [03:13:01] 	done
+3: [03:13:01] -------------------------------------
+3: [03:13:01] Testing returning const references.
+3: [03:13:01] any cast
+3: [03:13:01] done: 0.000977 300000
+3: [03:13:01] copy
+3: [03:13:01] done: 0.001005 300000
+3: [03:13:01] ref
+3: [03:13:01] done: 0.001016 300000
+3: [03:13:01] dict
+3: [03:13:01] done: 0.003366 300000
+3: [03:13:01] ref with hasVal
+3: [03:13:01] done: 0.001514 300000
+3: [03:13:01] 	done
+3: [03:13:01] -------------------------------------
+3: [03:13:01] Testing dict update.
+3: [03:13:01] 	done
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+ 13/222 Test   #3: testDict ...............................   Passed    0.70 sec
+test 25
+        Start  25: testMMFFForceField
+
+25: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
+25: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/MMFF
+25: Test timeout computed to be: 1500
+20: Randomness seeded to: 2442261139
+20: ===============================================================================
+20: All tests passed (76 assertions in 3 test cases)
+20: 
+ 14/222 Test  #20: testConrec .............................   Passed    0.24 sec
+test 26
+        Start  26: pyForceFieldConstraints
+
+26: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap/testConstraints.py"
+26: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/Wrap
+26: Test timeout computed to be: 1500
+24: -------------------------------------
+24: Unit tests for force field basics.
+24:   done
+24: -------------------------------------
+24: Unit tests for basics of UFF bond-stretch terms.
+25: -------------------------------------
+25: Official MMFF validation suite.
+24:   done
+24: -------------------------------------
+24: Unit tests for UFF bond-stretch terms.
+24:   done
+24: -------------------------------------
+24: Unit tests for basics of UFF angle terms.
+24:   done
+24: -------------------------------------
+24: Unit tests for UFF angle-bend terms.
+24: theta = 3.14159; theta0 = 3.14159
+24: theta = 2.094395, param1.theta0 = 2.094395
+24:   done
+24: -------------------------------------
+24:  Test Simple UFF molecule optimizations.
+24:   done
+24: -------------------------------------
+24: Unit tests for UFF nonbonded terms.
+24:   done
+24: -------------------------------------
+24:  Test UFF torsional terms.
+24:   done
+24: -------------------------------------
+24:  Test UFF Parameter objects
+24: -------------------------------------
+24:  Test Simple UFF molecule optimization, part 2.
+24:   done
+24: -------------------------------------
+24:  Test UFF Torsion Conflicts.
+24: C 0.4783 -0.7477 -0.0753 
+24: C -0.5465 -0.0176 0.3519 
+24: C -0.5114 1.4472 0.0870 
+24: H -1.5201 -0.4838 0.2485 
+24: H 0.4696 1.8363 0.3367 
+24: O -1.2618 1.9423 0.6934 
+24: F -0.7163 1.6298 -0.9622 
+24:   done
+24: -------------------------------------
+24: Unit tests for UFF distance constraint terms.
+24:   done
+24: -------------------------------------
+24: Unit tests for all UFF constraint terms.
 1: core
 1:      RDKit          2D
 1: 
@@ -11176,187 +11429,14 @@
 1:   2  5  1  0
 1: M  END
 1: 
-15: ****************************************
-15: testPointND
-15: ****************************************
-15: testPointOps3D
-15: ****************************************
-15: testPointOps2D
-15: ****************************************
-15: test12D
-15: ref1: 3.45822 3.04636  ref2: 1.08305 4.1212 
-15: pt1: 4.63955 4.46182  pt2: 1.93345 0.638236 
-15: ****************************************
-15: test23D
-15: ****************************************
-15: test3MatMultiply
-15: Pt1: 1 0 0  Pt2: 2 0 0 
-15: -Pt1: -1 -0 -0 
-15: tp1: 0 0 0  tp2: 0 0 0 
-15: tp1: 0 0 0  tp2: 0 0 0 
-15: tp1: 0 0 3  tp2: 0 0 3 
-15: npt1: 0 0 3  npt2: 0 0 4 
-15: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
-15: ****************************************
-15: testFromQuaternion
-15: ****************************************
-  6/222 Test  #10: testMultiFPB ...........................   Passed    0.04 sec
-  7/222 Test  #15: testTransforms .........................   Passed    0.02 sec
-test 18
-        Start  18: testPyGeometry
-
-18: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/testGeometry.py"
-18: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Geometry/Wrap
-18: Test timeout computed to be: 1500
-test 19
-        Start  19: testMatrices
-
-19: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/testMatrices
-19: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics
-19: Test timeout computed to be: 1500
-17: Randomness seeded to: 1215329358
-17: ===============================================================================
-17: All tests passed (50 assertions in 5 test cases)
-17: 
-  8/222 Test  #17: geometryTestsCatch .....................   Passed    0.02 sec
-16: ***********************************************************
-16: Testing Grid
-16: 	---------------------------------
-16: 	 testUniformGrid1 
-16: 
-16: 	---------------------------------
-16: 	 testUniformGrid2 
-16: 
-16: 	---------------------------------
-16: 	 testUniformGridPickling 
-16: 
-16: 	---------------------------------
-16: 	 testGridOps 
-16: 
-16: 	---------------------------------
-16: 	 testUniformGridIndexing 
-16: 
-19: [07:09:10] -----------------------------------------
-19: [07:09:10] Testing RDNumerics: vectors and matrices Code
-19: [07:09:10] ---------------------------------------
-19: [07:09:10] 	 test1Vector
-19: [07:09:10] ---------------------------------------
-19: [07:09:10] 	 test2Matrix
-19: [07:09:10] ---------------------------------------
-19: [07:09:10] 	 test3SquareMatrix
-19: [07:09:10] ---------------------------------------
-19: [07:09:10] 	 test4SymmMatrix
-  9/222 Test  #19: testMatrices ...........................   Passed    0.01 sec
-test 20
-        Start  20: testConrec
-
-20: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/testConrec
-20: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics
-20: Test timeout computed to be: 1500
-test 21
-        Start  21: testAlignment
-
-21: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/testAlignment
-21: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment
-21: Test timeout computed to be: 1500
- 10/222 Test  #16: testGrid ...............................   Passed    0.03 sec
-test 22
-        Start  22: pyAlignment
-
-22: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/testAlignment.py"
-22: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap
-22: Test timeout computed to be: 1500
-21: -----------------------------------------
-21: Testing Alignment Code
-21: ---------------------------------------
-21: 	 testBasic
-21: ---------------------------------------
-21: 	 testTriangle
-21: ---------------------------------------
-21: 	 testFourPts
-21: ---------------------------------------
-21: 	 testReflection
-21: ---------------------------------------
- 11/222 Test  #21: testAlignment ..........................   Passed    0.01 sec
-test 23
-        Start  23: testOptimizer
-
-23: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
-23: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/Numerics/Optimizer
-23: Test timeout computed to be: 1500
-23: -------------------------------------
-23: Testing linear search.
-23:   done
-23: -------------------------------------
-23: Testing BFGS optimization.
-23:   done
- 12/222 Test  #23: testOptimizer ..........................   Passed    0.00 sec
-test 24
-        Start  24: testUFFForceField
-
-24: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF/testUFFForceField
-24: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/UFF
-24: Test timeout computed to be: 1500
-20: Randomness seeded to: 3476400160
-20: ===============================================================================
-20: All tests passed (76 assertions in 3 test cases)
-20: 
- 13/222 Test  #20: testConrec .............................   Passed    0.02 sec
-test 25
-        Start  25: testMMFFForceField
-
-25: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
-25: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/MMFF
-25: Test timeout computed to be: 1500
-3: static boost any:0.089842 s
-24: -------------------------------------
-24: Unit tests for force field basics.
-24:   done
-24: -------------------------------------
-24: Unit tests for basics of UFF bond-stretch terms.
-24:   done
-24: -------------------------------------
-24: Unit tests for UFF bond-stretch terms.
-24:   done
-24: -------------------------------------
-24: Unit tests for basics of UFF angle terms.
 24:   done
 24: -------------------------------------
-24: Unit tests for UFF angle-bend terms.
-24: theta = 3.14159; theta0 = 3.14159
-24: theta = 2.094395, param1.theta0 = 2.094395
-24:   done
-24: -------------------------------------
-24:  Test Simple UFF molecule optimizations.
-24:   done
-24: -------------------------------------
-24: Unit tests for UFF nonbonded terms.
-24:   done
-24: -------------------------------------
-24:  Test UFF torsional terms.
-24:   done
-24: -------------------------------------
-24:  Test UFF Parameter objects
-24: -------------------------------------
-24:  Test Simple UFF molecule optimization, part 2.
-24:   done
-24: -------------------------------------
-24:  Test UFF Torsion Conflicts.
-24: C 0.4783 -0.7477 -0.0753 
-24: C -0.5465 -0.0176 0.3519 
-24: C -0.5114 1.4472 0.0870 
-24: H -1.5201 -0.4838 0.2485 
-24: H 0.4696 1.8363 0.3367 
-24: O -1.2618 1.9423 0.6934 
-24: F -0.7163 1.6298 -0.9622 
-24:   done
-24: -------------------------------------
-24: Unit tests for UFF distance constraint terms.
+24: Unit tests for copying UFF ForceFields.
 24:   done
 24: -------------------------------------
-24: Unit tests for all UFF constraint terms.
-25: -------------------------------------
-25: Official MMFF validation suite.
+24: Unit test for UFF butane scan.
+25: 
+25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
 1: cyclosporine a
 1:      RDKit          2D
 1: 
@@ -11717,23 +11797,7 @@
 1:  30 11  1  0
 1: M  END
 1: 
- 14/222 Test   #1: testCoordGen ...........................   Passed    0.14 sec
-test 26
-        Start  26: pyForceFieldConstraints
-
-26: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap/testConstraints.py"
-26: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ForceField/Wrap
-26: Test timeout computed to be: 1500
-24:   done
-24: -------------------------------------
-24: Unit tests for copying UFF ForceFields.
-24:   done
-24: -------------------------------------
-24: Unit test for UFF butane scan.
-25: 
-25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
-24:   done
- 15/222 Test  #24: testUFFForceField ......................   Passed    0.22 sec
+ 15/222 Test   #1: testCoordGen ...........................   Passed    1.29 sec
 test 27
         Start  27: testDistGeom
 
@@ -11751,84 +11815,21 @@
 27:       1      1      1      0
 27: ***********************************************************
 27: 
- 16/222 Test  #27: testDistGeom ...........................   Passed    0.01 sec
+ 16/222 Test  #27: testDistGeom ...........................   Passed    0.02 sec
 test 28
         Start  28: pyDistGeom
 
 28: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap/rough_test.py"
 28: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DistGeom/Wrap
 28: Test timeout computed to be: 1500
-3: dynamic boost any:0.266708 s
-3: static RDAny:0.04216 s
-28: ......
-28: ----------------------------------------------------------------------
-28: Ran 6 tests in 0.001s
-28: 
-28: OK
-22: .....
-22: ----------------------------------------------------------------------
-22: Ran 5 tests in 0.001s
-22: 
-22: OK
-22: Testing Alignment Wrapper code:
-12: ......
-12: ----------------------------------------------------------------------
-12: Ran 6 tests in 0.004s
-12: 
-12: OK
-14: .........
-14: ----------------------------------------------------------------------
-14: Ran 9 tests in 0.016s
-14: 
-14: OK
- 17/222 Test  #22: pyAlignment ............................   Passed    0.59 sec
+24:   done
+ 17/222 Test  #24: testUFFForceField ......................   Passed    0.70 sec
 test 29
         Start  29: graphmolTest1
 
 29: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
 29: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 29: Test timeout computed to be: 1500
- 18/222 Test  #28: pyDistGeom .............................   Passed    0.34 sec
-test 30
-        Start  30: graphmolcpTest
-
-30: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest
-30: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-30: Test timeout computed to be: 1500
-18: ...........
-18: ----------------------------------------------------------------------
-18: Ran 11 tests in 0.020s
-18: 
-18: OK
-18: Testing Geometry wrapper
- 19/222 Test  #12: pyDiscreteValueVect ....................   Passed    0.67 sec
-test 31
-        Start  31: graphmolqueryTest
-
-31: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest
-31: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-31: Test timeout computed to be: 1500
-30: 
-30: 
-30: 
-30: COPY
-2: ....
-2: ----------------------------------------------------------------------
-2: Ran 4 tests in 0.032s
-2: 
-2: OK
- 20/222 Test  #18: testPyGeometry .........................   Passed    0.64 sec
-test 32
-        Start  32: graphmolMolOpsTest
-
-32: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
-32: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-32: Test timeout computed to be: 1500
-13: .........
-13: ----------------------------------------------------------------------
-13: Ran 9 tests in 0.008s
-13: 
-13: OK
 29: Atoms:
 29: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 0 arom?: 0 chi: 0
 29: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0
@@ -11838,7 +11839,7 @@
 29: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0
 29: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 0 arom?: 0 chi: 0
 29: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb: 0 arom?: 1 chi: 0
-29: 	8 22 Ti chg: 0  deg: 1 exp: [07:09:10] 
+29: 	8 22 Ti chg: 0  deg: 1 exp: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11856,7 +11857,7 @@
 29: 	4 5->6 order: 3 conj?: 0 aromatic?: 0
 29: 	5 6->7 order: 1 conj?: 0 aromatic?: 0
 29: 	6 7->8 order: 2 conj?: 0 aromatic?: 0
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11865,7 +11866,7 @@
 29: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11874,7 +11875,7 @@
 29: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11883,7 +11884,7 @@
 29: Failed Expression: atomIdx1 != atomIdx2
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11892,7 +11893,7 @@
 29: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11901,9 +11902,9 @@
 29: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
 29: ****
 29: 
-29: [07:09:10] Explicit valence for atom # 0 B, 4, is greater than permitted
-29: [07:09:10] Explicit valence for atom # 0 B, 5, is greater than permitted
-29: [07:09:10] 
+29: [03:13:02] Explicit valence for atom # 0 B, 4, is greater than permitted
+29: [03:13:02] Explicit valence for atom # 0 B, 5, is greater than permitted
+29: [03:13:02] 
 29: 
 29: ****
 29: Post-condition Violation
@@ -11912,66 +11913,12 @@
 29: Failed Expression: anum > -1
 29: ****
 29: 
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test github381: thread-safe initialization of the periodic table
-31: [07:09:10] ---------------------- Test1
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test2
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test3
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test4
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test5
-31: [07:09:10] Done!
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test issue 2892580
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test github issue 53: query molecules not matching [R]
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test queries using qualifiers instead of ==
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test extra atom queries
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test extra bond queries
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test num heteroatom neighbor queries
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test atom type queries
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
-31: [07:09:10] Done!
-31: [07:09:10] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
-31: [07:09:10] Done!
-3: dynamic RDAny:0.290099 s
-3: static RDValue:1e-06 s
- 21/222 Test  #14: pyFPB ..................................   Passed    0.68 sec
- 22/222 Test  #30: graphmolcpTest .........................   Passed    0.04 sec
- 23/222 Test  #31: graphmolqueryTest ......................   Passed    0.02 sec
-test 33
-        Start  33: graphmoltestChirality
-
-33: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
-33: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-33: Test timeout computed to be: 1500
-test 34
-        Start  34: graphmoltestPickler
-
-34: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
-34: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-34: Test timeout computed to be: 1500
-test 35
-        Start  35: graphmoltestPicklerGlobalSetting
-
-35: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
-35: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-35: Test timeout computed to be: 1500
-29: [07:09:10]   done
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test github1041: Segfault for atom with no owner (expect some warnings)
-29: [07:09:10] 
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test github381: thread-safe initialization of the periodic table
+29: [03:13:02]   done
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test github1041: Segfault for atom with no owner (expect some warnings)
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11980,7 +11927,7 @@
 29: Failed Expression: dp_mol
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -11989,10 +11936,10 @@
 29: Failed Expression: dp_mol
 29: ****
 29: 
-29: [07:09:10]   done
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test github1041: Segfault for atom with no owner (expect some warnings)
-29: [07:09:10] 
+29: [03:13:02]   done
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test github1041: Segfault for atom with no owner (expect some warnings)
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -12001,7 +11948,7 @@
 29: Failed Expression: dp_mol
 29: ****
 29: 
-29: [07:09:10] 
+29: [03:13:02] 
 29: 
 29: ****
 29: Pre-condition Violation
@@ -12010,149 +11957,183 @@
 29: Failed Expression: dp_mol
 29: ****
 29: 
-29: [07:09:10]   done
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test github1453: RWMol.clear() should reset the numBonds count.
-29: [07:09:10]   done
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test range-based for loops.
-29: [07:09:10]   done
-29: [07:09:10] -------------------------------------
-29: [07:09:10]     Test github1642: Atom index type is too low for big molecules.
-32: 1 1 2 
-32: 1 1 1 
-32: 2 1 0.75 
-32: path: 2
-32: [07:09:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-32: [07:09:10] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 13 ignored
-32: [07:09:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-32: [07:09:10] Explicit valence for atom # 0 B, 5, is greater than permitted
-32: [07:09:10] Explicit valence for atom # 1 C, 5, is greater than permitted
-32: [07:09:10] Explicit valence for atom # 1 C, 5, is greater than permitted
-32: [07:09:10] Explicit valence for atom # 1 C, 5, is greater than permitted
-32: [07:09:10] Explicit valence for atom # 1 Si, 7, is greater than permitted
- 24/222 Test  #13: pySparseIntVect ........................   Passed    0.72 sec
+29: [03:13:02]   done
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test github1453: RWMol.clear() should reset the numBonds count.
+29: [03:13:02]   done
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test range-based for loops.
+29: [03:13:02]   done
+29: [03:13:02] -------------------------------------
+29: [03:13:02]     Test github1642: Atom index type is too low for big molecules.
+28: ......
+28: ----------------------------------------------------------------------
+28: Ran 6 tests in 0.014s
+28: 
+28: OK
+22: .....
+22: ----------------------------------------------------------------------
+22: Ran 5 tests in 0.001s
+22: 
+22: OK
+22: Testing Alignment Wrapper code:
+ 18/222 Test  #28: pyDistGeom .............................   Passed    0.51 sec
+test 30
+        Start  30: graphmolcpTest
+
+30: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest
+30: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+30: Test timeout computed to be: 1500
+ 19/222 Test  #22: pyAlignment ............................   Passed    1.26 sec
+test 31
+        Start  31: graphmolqueryTest
+
+31: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest
+31: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+31: Test timeout computed to be: 1500
+30: 
+30: 
+30: 
+30: COPY
+ 20/222 Test  #30: graphmolcpTest .........................   Passed    0.02 sec
+test 32
+        Start  32: graphmolMolOpsTest
+
+32: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
+32: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+32: Test timeout computed to be: 1500
+31: [03:13:03] ---------------------- Test1
+18: ...........
+18: ----------------------------------------------------------------------
+18: Ran 11 tests in 0.018s
+18: 
+18: OK
+18: Testing Geometry wrapper
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test2
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test3
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test4
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test5
+31: [03:13:03] Done!
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test issue 2892580
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test github issue 53: query molecules not matching [R]
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test queries using qualifiers instead of ==
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
+31: [03:13:03] Done!
+ 21/222 Test  #18: testPyGeometry .........................   Passed    1.56 sec
+test 33
+        Start  33: graphmoltestChirality
+
+33: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
+33: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+33: Test timeout computed to be: 1500
+14: .........
+14: ----------------------------------------------------------------------
+14: Ran 9 tests in 0.048s
+14: 
+14: OK
+12: ......
+12: ----------------------------------------------------------------------
+12: Ran 6 tests in 0.050s
+12: 
+12: OK
+31: [03:13:03] ---------------------- Test extra atom queries
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test extra bond queries
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test num heteroatom neighbor queries
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test atom type queries
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
+31: [03:13:03] Done!
+31: [03:13:03] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
+31: [03:13:03] Done!
+ 22/222 Test  #31: graphmolqueryTest ......................   Passed    0.08 sec
+test 34
+        Start  34: graphmoltestPickler
+
+34: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
+34: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+34: Test timeout computed to be: 1500
+ 23/222 Test  #14: pyFPB ..................................   Passed    1.67 sec
+test 35
+        Start  35: graphmoltestPicklerGlobalSetting
+
+35: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
+35: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+35: Test timeout computed to be: 1500
+13: .........
+13: ----------------------------------------------------------------------
+13: Ran 9 tests in 0.088s
+13: 
+13: OK
+ 24/222 Test  #12: pyDiscreteValueVect ....................   Passed    1.70 sec
 test 36
         Start  36: graphmolIterTest
 
 36: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest
 36: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 36: Test timeout computed to be: 1500
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing String Pickle Roundtrips.
-33: --------------------------
-33: --------------------------
-33: C/C=C/C(C)Cl
-35: [07:09:10] 	done
-3: dynamic RDValue:0.042144 s
-3: deleted!
-3: [07:09:10] -------------------------------------
-3: [07:09:10] Testing String Pickle Roundtrips.
-3: [07:09:10] 	done
-3: [07:09:10] -------------------------------------
-3: [07:09:10] Testing conversion of vect to string.
-3: [07:09:10] 	done
-3: [07:09:10] -------------------------------------
-3: [07:09:10] Testing returning const references.
-3: [07:09:10] any cast
-3: [07:09:10] done: 0.001203 300000
-3: [07:09:10] copy
-3: [07:09:10] done: 0.001226 300000
-3: [07:09:10] ref
-3: [07:09:10] done: 0.001254 300000
-3: [07:09:10] dict
-26: ...[07:09:10] Molecule does not have explicit Hs. Consider calling AddHs()
- 25/222 Test  #35: graphmoltestPicklerGlobalSetting .......   Passed    0.03 sec
+ 25/222 Test  #13: pySparseIntVect ........................   Passed    1.71 sec
 test 37
         Start  37: hanoiTest
 
 37: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest
 37: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 37: Test timeout computed to be: 1500
-26: [07:09:10] 
-26: 
-26: ****
-26: Invariant Violation
-26: bad direction in linearSearch
-26: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
-26: Failed Expression: status >= 0
-26: ****
-26: 
- 26/222 Test   #2: pyCoordGen .............................   Passed    0.77 sec
+35: [03:13:03] 	done
+ 26/222 Test  #35: graphmoltestPicklerGlobalSetting .......   Passed    0.06 sec
 test 38
         Start  38: graphmolMemTest1
 
 38: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1
 38: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 38: Test timeout computed to be: 1500
-3: [07:09:10] done: 0.004176 300000
-3: [07:09:10] ref with hasVal
-3: [07:09:10] done: 0.001942 300000
-3: [07:09:10] 	done
-3: [07:09:10] -------------------------------------
-3: [07:09:10] Testing dict update.
-3: [07:09:10] 	done
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
- 27/222 Test   #3: testDict ...............................   Passed    0.77 sec
+ 27/222 Test  #38: graphmolMemTest1 .......................   Passed    0.01 sec
 test 39
         Start  39: resMolSupplierTest
 
 39: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest
 39: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 39: Test timeout computed to be: 1500
- 28/222 Test  #38: graphmolMemTest1 .......................   Passed    0.01 sec
+ 28/222 Test  #36: graphmolIterTest .......................   Passed    0.06 sec
 test 40
         Start  40: molBundleTest
 
 40: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest
 40: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 40: Test timeout computed to be: 1500
- 29/222 Test  #36: graphmolIterTest .......................   Passed    0.03 sec
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing String Pickle Roundtrips.
+ 29/222 Test  #40: molBundleTest ..........................   Passed    0.06 sec
 test 41
         Start  41: testSGroup
 
 41: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup
 41: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
 41: Test timeout computed to be: 1500
-32: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
-33: [07:09:10] Conflicting single bond directions around double bond at index 2.
-33: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
-33: [07:09:10] Conflicting single bond directions around double bond at index 4.
-33: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
-33: [07:09:10] Conflicting single bond directions around double bond at index 15.
-33: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
-33: [07:09:10] Conflicting single bond directions around double bond at index 2.
-33: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
-33: [07:09:10] Conflicting single bond directions around double bond at index 1.
-33: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
- 30/222 Test  #40: molBundleTest ..........................   Passed    0.02 sec
-test 42
-        Start  42: test-valgrind
-
-42: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
-42: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-42: Test timeout computed to be: 1500
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing reading existing pickle file (v2).
-32: [07:09:10] non-ring atom 0 marked aromatic
-32: [07:09:10] non-ring atom 0 marked aromatic
-33: --------------------------------------------------
- 31/222 Test  #33: graphmoltestChirality ..................   Passed    0.10 sec
-test 43
-        Start  43: graphmolTestsCatch
-
-43: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-43: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-43: Test timeout computed to be: 1500
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing combining molecules using pickles.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing reading existing pickle file (v2).
+32: 1 1 2 
+32: 1 1 1 
+32: 2 1 0.75 
+32: path: 2
+32: [03:13:03] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+32: [03:13:03] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 13 ignored
+32: [03:13:03] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+32: [03:13:03] Explicit valence for atom # 0 B, 5, is greater than permitted
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing combining molecules using pickles.
 34: Atoms:
 34: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0
 34: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0
@@ -12162,6 +12143,10 @@
 34: 	5 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 4 arom?: 0 chi: 0
 34: 	6 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0
 34: Bonds:
+32: [03:13:03] Explicit valence for atom # 1 C, 5, is greater than permitted
+32: [03:13:03] Explicit valence for atom # 1 C, 5, is greater than permitted
+32: [03:13:03] Explicit valence for atom # 1 C, 5, is greater than permitted
+32: [03:13:03] Explicit valence for atom # 1 Si, 7, is greater than permitted
 34: 	0 0->1 order: 1 conj?: 0 aromatic?: 0
 34: 	1 1->2 order: 1 conj?: 0 aromatic?: 0
 34: 	2 2->0 order: 1 conj?: 0 aromatic?: 0
@@ -12169,61 +12154,40 @@
 34: 	4 4->5 order: 1 conj?: 0 aromatic?: 0
 34: 	5 5->6 order: 1 conj?: 0 aromatic?: 0
 34: 	6 6->3 order: 1 conj?: 0 aromatic?: 0
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing Issue164: Roundtrip Pickle Failure.
-32: [07:09:10] Conflicting single bond directions around double bond at index 17.
-32: [07:09:10]   BondStereo set to STEREONONE and single bond directions set to NONE.
- 32/222 Test  #42: test-valgrind ..........................   Passed    0.03 sec
-test 44
-        Start  44: graphmolOrganometallicsCatch
-
-44: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
-44: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-44: Test timeout computed to be: 1500
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing Issue219: Pickle Failure with Conformations.
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing Issue220: Pickle problems with bond stereochemistry.
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing query serialization.
-34: [07:09:10] C=[$(C=O)]
-34: [07:09:10] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing radical handling in pickles.
-34: [07:09:10] 	done
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing sf.net issue 2788233.
-32: starting ring finding
-32: done
-32: starting ring finding
-32: done
-32: starting ring finding
-32: done
-32: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
-32: starting sanitization
- 33/222 Test  #41: testSGroup .............................   Passed    0.05 sec
-test 45
-        Start  45: graphmolSGroupCatch
-
-45: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
-45: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-45: Test timeout computed to be: 1500
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing sf.net issue 3202580.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Issue164: Roundtrip Pickle Failure.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Issue219: Pickle Failure with Conformations.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Issue220: Pickle problems with bond stereochemistry.
+34: [03:13:03] 	done
+33: --------------------------
+33: --------------------------
+33: C/C=C/C(C)Cl
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing query serialization.
+34: [03:13:03] C=[$(C=O)]
+34: [03:13:03] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing radical handling in pickles.
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 2788233.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 3202580.
 34:   mass! 13.0034
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing sf.net issue 3316407.
-34: [07:09:10] 	done
-34: [07:09:10] -------------------------------------
-34: [07:09:10] Testing sf.net issue 3496759.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 3316407.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 3496759.
 34: smi match: *C *C
 34: smi match: **=* **=*
 34: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
@@ -12232,6 +12196,7 @@
 34: smi match: O=COC=O O=COC=O
 34: smi match: OO OO
 34: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
+32: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
 34: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
 34: smi match: nnnOC=O nnnOC=O
 34: smi match: *=C=N *=C=N
@@ -12240,24 +12205,16 @@
 34: smi match: NP(N)(N)=O NP(N)(N)=O
 34: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
 34: smi match: *CC=O *CC=O
+2: ....
+2: ----------------------------------------------------------------------
+2: Ran 4 tests in 0.031s
+2: 
+2: OK
 34: smi match: NNC=O NNC=O
-32: done
-32: starting sanitization
-32: done
-43: Randomness seeded to: 137067808
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 34: smi match: * *
 34: smi match: C=P C=P
-32: starting ring finding
-32: done
-32: starting ring finding
-32: done
 34: smi match: CC(=N)Cl CC(=N)Cl
 34: smi match: N=O N=O
-32: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
 34: smi match: ** **
 34: smi match: N=C=N N=C=N
 34: smi match: [C-]#[NH+] [C-]#[NH+]
@@ -12265,45 +12222,19 @@
 34: smi match: N#CC[OH] N#CC[OH]
 34: smi match: N#CC=O N#CC=O
 34: smi match: N#CS(=O)=O N#CS(=O)=O
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 34: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 34: smi match: N#CN=N N#CN=N
 34: smi match: N=NCC=O N=NCC=O
 34: smi match: CCCCCCC CCCCCCC
-43: [07:09:11] Explicit valence for atom # 1 N, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 1 N, 6, is greater than permitted
 34: smi match: OCCOCCO OCCOCCO
-43: [07:09:11] Explicit valence for atom # 1 N, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 1 N, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 2 O, 3, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 2 O, 3, is greater than permitted
-43: [07:09:11] non-ring atom 2 marked aromatic
-43: [07:09:11] non-ring atom 2 marked aromatic
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-43: [07:09:11] Explicit valence for atom # 1 O, 3, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 4 F, 2, is greater than permitted
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 6 7 8
 34: smi match: SS SS
 34: smi match: [SH] [SH]
-43: [07:09:11] Explicit valence for atom # 1 C, 5, is greater than permitted
 34: smi match: *1CC1 *1CC1
-43: [07:09:11] WARNING: not removing hydrogen atom with dummy atom neighbors
-43: [07:09:11] WARNING: not removing hydrogen atom with dummy atom neighbors
-43: [07:09:11] WARNING: not removing hydrogen atom with wedged bond
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
 34: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
 34: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
 34: smi match: NC(=S)N=N NC(=S)N=N
 34: smi match: N#CS N#CS
 34: smi match: cC[N+] cC[N+]
-32: [07:09:11] WARNING: not removing hydrogen atom with dummy atom neighbors
 34: smi match: C*C=S C*C=S
 34: smi match: N[CH2]C#N N[CH2]C#N
 34: smi match: O=C1CCO1 O=C1CCO1
@@ -12315,8 +12246,6 @@
 34: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
 34: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
 34: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
-32: -------------------------------
-32: [07:09:11] Explicit valence for atom # 0 N, 4, is greater than permitted
 34: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
 34: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
 34: smi match: cN(=O)~O cN(=O)~O
@@ -12352,163 +12281,6 @@
 34: smi match: S=CS S=CS
 34: smi match: C=O C=O
 34: smi match: *C=N *C=N
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-43: [07:09:11] Unreasonable formal charge on hydrogen # 0.
-43: [07:09:11] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
-43: [07:09:11] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no atom
-43: Violation occurred on line 185 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: at
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no owner
-43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-43: Failed Expression: dp_mol
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: atom not associated with this molecule
-43: Violation occurred on line 186 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: &at->getOwningMol() == this
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no atom
-43: Violation occurred on line 385 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: at
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no owner
-43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-43: Failed Expression: dp_mol
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: atom not associated with this molecule
-43: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: &at->getOwningMol() == this
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no atom
-43: Violation occurred on line 392 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: at
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: no owner
-43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-43: Failed Expression: dp_mol
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: atom not associated with this molecule
-43: Violation occurred on line 393 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: &at->getOwningMol() == this
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: null atom passed in
-43: Violation occurred on line 407 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: atom_pin
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: cannot take ownership of an atom which already has an owner
-43: Violation occurred on line 408 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: cannot take ownership of an bond which already has an owner
-43: Violation occurred on line 434 in file ./Code/GraphMol/ROMol.cpp
-43: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
-43: ****
-43: 
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-43: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-43: [07:09:11] Explicit valence for atom # 1 F greater than permitted
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: plain atoms have no Query
-43: Violation occurred on line 610 in file ./Code/GraphMol/Atom.cpp
-43: Failed Expression: 0
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: plain atoms have no Query
-43: Violation occurred on line 615 in file ./Code/GraphMol/Atom.cpp
-43: Failed Expression: 0
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: plain bonds have no Query
-43: Violation occurred on line 206 in file ./Code/GraphMol/Bond.cpp
-43: Failed Expression: 0
-43: ****
-43: 
-43: [07:09:11] 
-43: 
-43: ****
-43: Pre-condition Violation
-43: plain bonds have no query
-43: Violation occurred on line 227 in file ./Code/GraphMol/Bond.cpp
-43: Failed Expression: 0
-43: ****
-43: 
-45: Randomness seeded to: 2535245858
-45: ===============================================================================
-45: All tests passed (120 assertions in 6 test cases)
-45: 
 34: smi match: CCCCCCC CCCCCCC
 34: smi match: CN=O CN=O
 34: smi match: CS(=O)(=O)O CS(=O)(=O)O
@@ -12551,18 +12323,6 @@
 34: smi match: O=C1NNNN1 O=C1NNNN1
 34: smi match: N=C(N)C(=N)N N=C(N)C(=N)N
 34: smi match: N=C(N)O N=C(N)O
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
- 34/222 Test  #45: graphmolSGroupCatch ....................   Passed    0.03 sec
-test 46
-        Start  46: graphmolAdjustQueryCatch
-
-46: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
-46: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-46: Test timeout computed to be: 1500
 34: smi match: N=C(N)C(=N)S N=C(N)C(=N)S
 34: smi match: *C=N *C=N
 34: smi match: N=CC=O N=CC=O
@@ -12624,28 +12384,6 @@
 34: smi match: N#CCC#N N#CCC#N
 34: smi match: CON=O CON=O
 34: smi match: C=CN C=CN
-43: [07:09:11] Unusual charge on atom 0 number of radical electrons set to zero
-43: [07:09:11] Unusual charge on atom 0 number of radical electrons set to zero
-43: [07:09:11] Unusual charge on atom 0 number of radical electrons set to zero
-43: [07:09:11] non-ring atom 0 marked aromatic
-43: [07:09:11] non-ring atom 0 marked aromatic
-43: [07:09:11] Explicit valence for atom # 1 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 9 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 3 N, 4, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 15 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 11 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 9 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 9 C, 5, is greater than permitted
-43: [07:09:11] Explicit valence for atom # 9 C, 6, is greater than permitted
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 7
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 3
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 3 7
-43: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 3 7
-32: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-32: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-32: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-32: [07:09:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
 34: smi match: C=N[SH](=O)=O C=N[SH](=O)=O
 34: smi match: NN=O NN=O
 34: smi match: NC(=O)S NC(=O)S
@@ -12696,9 +12434,6 @@
 34: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1
 34: smi match: CSC(C)=N CSC(C)=N
 34: smi match: COC(C)=N COC(C)=N
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-43: [07:09:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-32: [07:09:11] WARNING: not removing hydrogen atom with dummy atom neighbors
 34: smi match: C=C=C C=C=C
 34: smi match: *C(=O)OC=O *C(=O)OC=O
 34: smi match: C=CC#N C=CC#N
@@ -12709,10 +12444,6 @@
 34: smi match: C#CC=O C#CC=O
 34: smi match: C#CC(=O)OCC C#CC(=O)OCC
 34: smi match: C#CC=O C#CC=O
-44: Randomness seeded to: 3686624108
-44: ===============================================================================
-44: All tests passed (62 assertions in 6 test cases)
-44: 
 34: smi match: *C(=O)C#C *C(=O)C#C
 34: smi match: C=CC=O C=CC=O
 34: smi match: *C(*)(*)O *C(*)(*)O
@@ -12741,13 +12472,6 @@
 34: smi match: ** **
 34: smi match: *CC* *CC*
 34: smi match: *O[SiH3] *O[SiH3]
- 35/222 Test  #44: graphmolOrganometallicsCatch ...........   Passed    0.08 sec
-test 47
-        Start  47: chiralityTestsCatch
-
-47: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
-47: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-47: Test timeout computed to be: 1500
 34: smi match: *OS(*)~O *OS(*)~O
 34: smi match: N~N~O N~N~O
 34: smi match: *N(~O)(~O)~O *N(~O)(~O)~O
@@ -12769,9 +12493,6 @@
 34: smi match: SS SS
 34: smi match: [SH] [SH]
 34: smi match: *C* *C*
-43: [07:09:11] Explicit valence for atom # 1 O, 3, is greater than permitted
-43: [07:09:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-43: [07:09:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
 34: smi match: * *
 34: smi match: C[nH3+] C[nH3+]
 34: smi match: cC(=N)[NH2] cC(=N)[NH2]
@@ -12790,17 +12511,12 @@
 34: smi match: *** ***
 34: smi match: *C=O *C=O
 34: smi match: C[OH] C[OH]
-43: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 34: smi match: C[OH] C[OH]
-43: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 34: smi match: C[OH] C[OH]
 34: smi match: C[OH] C[OH]
 34: smi match: C[CH]=O C[CH]=O
 34: smi match: *=* *=*
 34: smi match: *C *C
-43: ===============================================================================
-43: All tests passed (1630 assertions in 89 test cases)
-43: 
 34: smi match: C#C C#C
 34: smi match: *[CH]C=C *[CH]C=C
 34: smi match: cCC(=O)[OH] cCC(=O)[OH]
@@ -12814,13 +12530,6 @@
 34: smi match: *=C*=O *=C*=O
 34: smi match: *=CC#N *=CC#N
 34: smi match: *C[OH] *C[OH]
- 36/222 Test  #43: graphmolTestsCatch .....................   Passed    0.11 sec
-test 48
-        Start  48: canonTestsCatch
-
-48: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
-48: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-48: Test timeout computed to be: 1500
 34: smi match: ** **
 34: smi match: *C[OH] *C[OH]
 34: smi match: *C(*)=O *C(*)=O
@@ -12855,7 +12564,16 @@
 34: smi match: * *
 34: smi match: *=* *=*
 34: smi match: *=* *=*
+32: [03:13:03] non-ring atom 0 marked aromatic
+32: [03:13:03] non-ring atom 0 marked aromatic
 34: smi match: *=* *=*
+ 30/222 Test   #2: pyCoordGen .............................   Passed    2.33 sec
+test 42
+        Start  42: test-valgrind
+
+42: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
+42: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+42: Test timeout computed to be: 1500
 34: smi match: *=* *=*
 34: smi match: C1CO1 C1CO1
 34: smi match: *OC(*)=O *OC(*)=O
@@ -12872,6 +12590,13 @@
 34: smi match: CN=C=S CN=C=S
 34: smi match: *OC(*)(*)O* *OC(*)(*)O*
 34: smi match: *C(*)=O *C(*)=O
+ 31/222 Test  #41: testSGroup .............................   Passed    0.28 sec
+test 43
+        Start  43: graphmolTestsCatch
+
+43: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+43: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+43: Test timeout computed to be: 1500
 34: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
 34: smi match: *~*=O *~*=O
 34: smi match: *~*=O *~*=O
@@ -12888,10 +12613,6 @@
 34: smi match: CO~P(=O)~O CO~P(=O)~O
 34: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
 34: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
-46: Randomness seeded to: 971647924
-46: ===============================================================================
-46: All tests passed (281 assertions in 10 test cases)
-46: 
 34: smi match: O=P(~O)~O O=P(~O)~O
 34: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
 34: smi match: C[NH2] C[NH2]
@@ -12915,113 +12636,80 @@
 34: smi match: * *
 34: smi match: ***** *****
 34: smi match: NC(N)=O NC(N)=O
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing sf.net issue 280.
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing sf.net issue 285.
-34: [07:09:11] 	done
-34: [07:09:11] 	done
-34: [07:09:11] 	done
-34: [07:09:11] 	done
-34: [07:09:11] 	done
-34: [07:09:11] 	done
-34: [07:09:11] 	done
- 37/222 Test  #46: graphmolAdjustQueryCatch ...............   Passed    0.11 sec
-test 49
-        Start  49: moliteratorTestsCatch
-
-49: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
-49: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-49: Test timeout computed to be: 1500
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing Github2441: Add RDProps interface to Conformers.
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing Issue2510: Pickle Confs as double.
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing loading pickled mols with conformers
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing conformer reading/writing options
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing property reading options
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing property reading options
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing boost::serialization integration
-34: [07:09:11] 	done
-34: [07:09:11] -------------------------------------
-34: [07:09:11] Testing github issue 6036
- 38/222 Test  #34: graphmoltestPickler ....................   Passed    0.27 sec
-test 50
-        Start  50: queryTestsCatch
-
-50: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
-50: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-50: Test timeout computed to be: 1500
-47: Randomness seeded to: 4108765334
-47: [07:09:11]  unable to set wavy bonds for double bonds: 3
-48: Randomness seeded to: 1796567614
-48: ===============================================================================
-48: All tests passed (137 assertions in 7 test cases)
-48: 
- 39/222 Test  #48: canonTestsCatch ........................   Passed    0.08 sec
-test 51
-        Start  51: molbundleTestsCatch
-
-51: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
-51: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-51: Test timeout computed to be: 1500
-47: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-47: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-49: Randomness seeded to: 681617685
-49: ===============================================================================
-49: All tests passed (14 assertions in 4 test cases)
-49: 
- 40/222 Test  #49: moliteratorTestsCatch ..................   Passed    0.04 sec
-test 52
-        Start  52: pickleTestsCatch
-
-52: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
-52: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
-52: Test timeout computed to be: 1500
-47: [07:09:11] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-47: [07:09:11] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-47: [07:09:11] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
-47: [07:09:11] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
-47: [07:09:11] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
-47: ===============================================================================
-47: All tests passed (1845 assertions in 63 test cases)
-47: 
-50: Randomness seeded to: 2171327899
-50: ===============================================================================
-50: All tests passed (10 assertions in 1 test case)
-50: 
- 41/222 Test  #47: chiralityTestsCatch ....................   Passed    0.14 sec
- 42/222 Test  #50: queryTestsCatch ........................   Passed    0.05 sec
-test 53
-        Start  53: smiTest1
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 280.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing sf.net issue 285.
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Github2441: Add RDProps interface to Conformers.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Issue2510: Pickle Confs as double.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing loading pickled mols with conformers
+ 32/222 Test  #42: test-valgrind ..........................   Passed    0.02 sec
+test 44
+        Start  44: graphmolOrganometallicsCatch
 
-53: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
-53: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-53: Test timeout computed to be: 1500
-test 54
-        Start  54: smiTest2
+44: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
+44: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+44: Test timeout computed to be: 1500
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing conformer reading/writing options
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing property reading options
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing property reading options
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing boost::serialization integration
+34: [03:13:03] 	done
+34: [03:13:03] -------------------------------------
+34: [03:13:03] Testing github issue 6036
+ 33/222 Test  #34: graphmoltestPickler ....................   Passed    0.50 sec
+test 45
+        Start  45: graphmolSGroupCatch
 
-54: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
-54: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-54: Test timeout computed to be: 1500
-26: ......[07:09:11] Molecule does not have explicit Hs. Consider calling AddHs()
-26: [07:09:11] 
+45: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
+45: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+45: Test timeout computed to be: 1500
+32: [03:13:03] Conflicting single bond directions around double bond at index 17.
+32: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+32: starting ring finding
+32: done
+32: starting ring finding
+32: done
+32: starting ring finding
+32: done
+32: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
+32: starting sanitization
+32: done
+32: starting sanitization
+32: done
+32: starting ring finding
+32: done
+32: starting ring finding
+32: done
+32: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
+26: ...[03:13:03] Molecule does not have explicit Hs. Consider calling AddHs()
+26: [03:13:03] 
 26: 
 26: ****
 26: Invariant Violation
@@ -13030,105 +12718,441 @@
 26: Failed Expression: status >= 0
 26: ****
 26: 
-51: Randomness seeded to: 1996930448
-51: ===============================================================================
-51: All tests passed (6 assertions in 1 test case)
-51: 
-52: Randomness seeded to: 708818254
-52: ===============================================================================
-52: All tests passed (34 assertions in 1 test case)
-52: 
- 43/222 Test  #51: molbundleTestsCatch ....................   Passed    0.05 sec
+45: Randomness seeded to: 2314477934
+45: ===============================================================================
+45: All tests passed (120 assertions in 6 test cases)
+45: 
+ 34/222 Test  #45: graphmolSGroupCatch ....................   Passed    0.20 sec
+test 46
+        Start  46: graphmolAdjustQueryCatch
+
+46: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
+46: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+46: Test timeout computed to be: 1500
+32: [03:13:03] WARNING: not removing hydrogen atom with dummy atom neighbors
+32: -------------------------------
+32: [03:13:03] Explicit valence for atom # 0 N, 4, is greater than permitted
+43: Randomness seeded to: 3475475872
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: Randomness seeded to: 1989619951
+44: ===============================================================================
+44: All tests passed (62 assertions in 6 test cases)
+44: 
+ 35/222 Test  #44: graphmolOrganometallicsCatch ...........   Passed    0.29 sec
+test 47
+        Start  47: chiralityTestsCatch
+
+47: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
+47: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+47: Test timeout computed to be: 1500
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] Explicit valence for atom # 1 N, 5, is greater than permitted
+32: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+32: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+32: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+32: [03:13:03] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+43: [03:13:03] Explicit valence for atom # 1 N, 6, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 1 N, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 1 N, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 2 O, 3, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 2 O, 3, is greater than permitted
+43: [03:13:03] non-ring atom 2 marked aromatic
+43: [03:13:03] non-ring atom 2 marked aromatic
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+43: [03:13:03] Explicit valence for atom # 1 O, 3, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 4 F, 2, is greater than permitted
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 6 7 8
+43: [03:13:03] Explicit valence for atom # 1 C, 5, is greater than permitted
+43: [03:13:03] WARNING: not removing hydrogen atom with dummy atom neighbors
+43: [03:13:03] WARNING: not removing hydrogen atom with dummy atom neighbors
+43: [03:13:03] WARNING: not removing hydrogen atom with wedged bond
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] Unreasonable formal charge on hydrogen # 0.
+26: ......[03:13:03] Molecule does not have explicit Hs. Consider calling AddHs()
+26: [03:13:03] 
+26: 
+26: ****
+26: Invariant Violation
+26: bad direction in linearSearch
+26: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
+26: Failed Expression: status >= 0
+26: ****
+26: 
+43: [03:13:03] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
+43: [03:13:03] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no atom
+43: Violation occurred on line 185 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: at
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no owner
+43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+43: Failed Expression: dp_mol
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: atom not associated with this molecule
+43: Violation occurred on line 186 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: &at->getOwningMol() == this
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no atom
+43: Violation occurred on line 385 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: at
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no owner
+43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+43: Failed Expression: dp_mol
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: atom not associated with this molecule
+43: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: &at->getOwningMol() == this
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no atom
+43: Violation occurred on line 392 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: at
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: no owner
+43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+43: Failed Expression: dp_mol
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: atom not associated with this molecule
+43: Violation occurred on line 393 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: &at->getOwningMol() == this
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: null atom passed in
+43: Violation occurred on line 407 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: atom_pin
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: cannot take ownership of an atom which already has an owner
+43: Violation occurred on line 408 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: cannot take ownership of an bond which already has an owner
+43: Violation occurred on line 434 in file ./Code/GraphMol/ROMol.cpp
+43: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
+43: ****
+43: 
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:03] WARNING: not removing hydrogen atom without neighbors
+43: [03:13:03] Explicit valence for atom # 1 F greater than permitted
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: plain atoms have no Query
+43: Violation occurred on line 610 in file ./Code/GraphMol/Atom.cpp
+43: Failed Expression: 0
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: plain atoms have no Query
+43: Violation occurred on line 615 in file ./Code/GraphMol/Atom.cpp
+43: Failed Expression: 0
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: plain bonds have no Query
+43: Violation occurred on line 206 in file ./Code/GraphMol/Bond.cpp
+43: Failed Expression: 0
+43: ****
+43: 
+43: [03:13:03] 
+43: 
+43: ****
+43: Pre-condition Violation
+43: plain bonds have no query
+43: Violation occurred on line 227 in file ./Code/GraphMol/Bond.cpp
+43: Failed Expression: 0
+43: ****
+43: 
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+33: [03:13:03] Conflicting single bond directions around double bond at index 2.
+33: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+33: [03:13:03] Conflicting single bond directions around double bond at index 4.
+33: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+33: [03:13:03] Conflicting single bond directions around double bond at index 15.
+33: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+33: [03:13:03] Conflicting single bond directions around double bond at index 2.
+33: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+33: [03:13:03] Conflicting single bond directions around double bond at index 1.
+33: [03:13:03]   BondStereo set to STEREONONE and single bond directions set to NONE.
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+32: [03:13:03] WARNING: not removing hydrogen atom with dummy atom neighbors
+43: [03:13:03] Unusual charge on atom 0 number of radical electrons set to zero
+43: [03:13:03] Unusual charge on atom 0 number of radical electrons set to zero
+43: [03:13:03] Unusual charge on atom 0 number of radical electrons set to zero
+43: [03:13:03] non-ring atom 0 marked aromatic
+43: [03:13:03] non-ring atom 0 marked aromatic
+43: [03:13:03] Explicit valence for atom # 1 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 9 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 3 N, 4, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 15 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 11 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 9 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 9 C, 5, is greater than permitted
+43: [03:13:03] Explicit valence for atom # 9 C, 6, is greater than permitted
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 7
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 3
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 3 7
+43: [03:13:03] Can't kekulize mol.  Unkekulized atoms: 3 7
+43: [03:13:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:04] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+43: [03:13:04] Explicit valence for atom # 1 O, 3, is greater than permitted
+43: [03:13:04] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+43: [03:13:04] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+43: [03:13:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+43: [03:13:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+43: ===============================================================================
+43: All tests passed (1630 assertions in 89 test cases)
+43: 
+ 36/222 Test  #43: graphmolTestsCatch .....................   Passed    0.54 sec
+test 48
+        Start  48: canonTestsCatch
+
+48: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
+48: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+48: Test timeout computed to be: 1500
+47: Randomness seeded to: 4284149300
+47: [03:13:04]  unable to set wavy bonds for double bonds: 3
+33: --------------------------------------------------
+ 37/222 Test  #33: graphmoltestChirality ..................   Passed    1.08 sec
+test 49
+        Start  49: moliteratorTestsCatch
+
+49: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
+49: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+49: Test timeout computed to be: 1500
+32: [03:13:04] Maximum BFS search size exceeded.
+32: This is likely due to a highly symmetric fused ring system.
+47: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+47: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+26: ...
+26: ----------------------------------------------------------------------
+26: Ran 12 tests in 0.713s
+26: 
+26: OK
+47: [03:13:04] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+47: [03:13:04] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+47: [03:13:04] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
+47: [03:13:04] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
+47: [03:13:04] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
+47: ===============================================================================
+47: All tests passed (1845 assertions in 63 test cases)
+47: 
+ 38/222 Test  #47: chiralityTestsCatch ....................   Passed    0.35 sec
+test 50
+        Start  50: queryTestsCatch
+
+50: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
+50: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+50: Test timeout computed to be: 1500
+48: Randomness seeded to: 1020823217
+48: ===============================================================================
+48: All tests passed (137 assertions in 7 test cases)
+48: 
+ 39/222 Test  #48: canonTestsCatch ........................   Passed    0.14 sec
+test 51
+        Start  51: molbundleTestsCatch
+
+51: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
+51: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+51: Test timeout computed to be: 1500
+ 40/222 Test  #26: pyForceFieldConstraints ................   Passed    2.32 sec
+test 52
+        Start  52: pickleTestsCatch
+
+52: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
+52: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol
+52: Test timeout computed to be: 1500
+46: Randomness seeded to: 2316095489
+46: ===============================================================================
+46: All tests passed (281 assertions in 10 test cases)
+46: 
+ 41/222 Test  #46: graphmolAdjustQueryCatch ...............   Passed    0.43 sec
+test 53
+        Start  53: smiTest1
+
+53: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
+53: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+53: Test timeout computed to be: 1500
+32: [03:13:04] Maximum BFS search size exceeded.
+32: This is likely due to a highly symmetric fused ring system.
+32: F/C=C/Cl
+32: [H]/C(F)=C(/[H])Cl
+32: F/C=C/Cl
+32: F/C=C/Cl
+32: C/C(F)=C(/C)Cl
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+49: Randomness seeded to: 752457773
+49: ===============================================================================
+49: All tests passed (14 assertions in 4 test cases)
+49: 
+ 42/222 Test  #49: moliteratorTestsCatch ..................   Passed    0.22 sec
+test 54
+        Start  54: smiTest2
+
+54: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
+54: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+54: Test timeout computed to be: 1500
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] WARNING: not removing hydrogen atom without neighbors
+53: [03:13:04] Invalid chiral specification on atom 0
+53: [03:13:04] Invalid chiral specification on atom 0
+53: [03:13:04] Invalid chiral specification on atom 0
+53: [03:13:04] Invalid chiral specification on atom 0
+53: [03:13:04] Invalid chiral specification on atom 0
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
+ 43/222 Test  #32: graphmolMolOpsTest .....................   Passed    1.38 sec
 test 55
         Start  55: cxsmilesTest
 
 55: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
 55: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
 55: Test timeout computed to be: 1500
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-54: [07:09:11] SMILES Parse Error: syntax error while parsing: -
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-54: [07:09:11] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
-54: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
- 44/222 Test  #52: pickleTestsCatch .......................   Passed    0.06 sec
- 45/222 Test  #54: smiTest2 ...............................   Passed    0.02 sec
+52: Randomness seeded to: 1540629378
+52: ===============================================================================
+52: All tests passed (34 assertions in 1 test case)
+52: 
+ 44/222 Test  #52: pickleTestsCatch .......................   Passed    0.22 sec
 test 56
         Start  56: smaTest1
 
 56: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
 56: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
 56: Test timeout computed to be: 1500
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+54: [03:13:04] SMILES Parse Error: syntax error while parsing: -
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+54: [03:13:04] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
+54: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
+ 45/222 Test  #54: smiTest2 ...............................   Passed    0.07 sec
 test 57
         Start  57: smiTestCatch
 
 57: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
 57: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
 57: Test timeout computed to be: 1500
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] WARNING: not removing hydrogen atom without neighbors
-53: [07:09:11] Invalid chiral specification on atom 0
-53: [07:09:11] Invalid chiral specification on atom 0
-53: [07:09:11] Invalid chiral specification on atom 0
-53: [07:09:11] Invalid chiral specification on atom 0
-53: [07:09:11] Invalid chiral specification on atom 0
-53: [07:09:11] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
-53: [07:09:11] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
-32: [07:09:11] Maximum BFS search size exceeded.
-32: This is likely due to a highly symmetric fused ring system.
-57: Randomness seeded to: 2703077214
-57: [07:09:11] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-57: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-57: [07:09:11] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
-57: [07:09:11] SMARTS Parse Error: unclosed ring for input: 'C1C'
-57: [07:09:11] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-57: [07:09:11] SMARTS Parse Error: syntax error while parsing: C)foo
-57: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
-57: [07:09:11] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
-57: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
-57: [07:09:11] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
-56: [07:09:11] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
-56: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
-56: [07:09:11] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
-56: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
-56: [07:09:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-56: [07:09:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
- 46/222 Test  #56: smaTest1 ...............................   Passed    0.11 sec
+50: Randomness seeded to: 1385351349
+50: ===============================================================================
+50: All tests passed (10 assertions in 1 test case)
+50: 
+ 46/222 Test  #50: queryTestsCatch ........................   Passed    0.27 sec
 test 58
         Start  58: nontetrahedralCatch
 
 58: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
 58: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
 58: Test timeout computed to be: 1500
-58: Randomness seeded to: 4065500566
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+51: Randomness seeded to: 674248912
+51: ===============================================================================
+51: All tests passed (6 assertions in 1 test case)
+51: 
+ 47/222 Test  #51: molbundleTestsCatch ....................   Passed    0.27 sec
+test 59
+        Start  59: testDepictor
+
+59: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
+59: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
+59: Test timeout computed to be: 1500
+53: [03:13:04] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
+53: [03:13:04] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
 53: --C1CCC2(CC1)CCCCC2CCC1CCCC1
-57: [07:09:11] w block attempts to set wedging on bond 0 more than once.
-57: [07:09:11] improperly formatted w block
-57: [07:09:11] atom 3 is not associated with bond 1 in w block
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
 53: smi: ClC1CCCCC1
 53: smi: ClC1CCCCC1
 53: smi: ClC1CCCCC1Br
@@ -13141,465 +13165,321 @@
 53: CaC(bC)aC
 53: CbC(bC)aC
 53: O.C
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [07:09:11] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
 53: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
-53: [07:09:11] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
-53: [07:09:11] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
-57: ===============================================================================
-57: All tests passed (1516 assertions in 53 test cases)
-57: 
-53: [07:09:11] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
-53: [07:09:11] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
- 47/222 Test  #57: smiTestCatch ...........................   Passed    0.16 sec
-test 59
-        Start  59: testDepictor
-
-59: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
-59: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
-59: Test timeout computed to be: 1500
-58: [07:09:11] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
-58: ===============================================================================
-58: All tests passed (308 assertions in 9 test cases)
-58: 
-53: [07:09:11] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-53: [07:09:11] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-53: [07:09:11] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-53: [07:09:11] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-53: [07:09:11] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-53: [07:09:11] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-53: [07:09:11] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
+53: [03:13:04] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
+53: [03:13:04] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
+53: [03:13:04] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+53: [03:13:04] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+53: [03:13:04] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+53: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
 53: C=c1s/c2n(c1=O)CCCCCCC\N=2
 53: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
-53: [07:09:11] SMILES Parse Error: extra close parentheses while parsing: C)
-53: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
-26: ...
-26: ----------------------------------------------------------------------
-26: Ran 12 tests in 0.588s
-26: 
-26: OK
- 48/222 Test  #53: smiTest1 ...............................   Passed    0.22 sec
- 49/222 Test  #58: nontetrahedralCatch ....................   Passed    0.08 sec
+53: [03:13:04] SMILES Parse Error: extra close parentheses while parsing: C)
+53: [03:13:04] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
+ 48/222 Test  #53: smiTest1 ...............................   Passed    0.40 sec
 test 60
         Start  60: depictorCatch
 
 60: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
 60: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
 60: Test timeout computed to be: 1500
+56: [03:13:04] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
+56: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
+56: [03:13:04] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
+56: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
+56: [03:13:04] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+56: [03:13:04] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+ 49/222 Test  #56: smaTest1 ...............................   Passed    0.21 sec
 test 61
         Start  61: pyDepictor
 
 61: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/testDepictor.py"
 61: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap
 61: Test timeout computed to be: 1500
- 50/222 Test  #26: pyForceFieldConstraints ................   Passed    1.20 sec
+58: Randomness seeded to: 3198107838
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [03:13:04] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
+58: ===============================================================================
+58: All tests passed (308 assertions in 9 test cases)
+58: 
+ 50/222 Test  #58: nontetrahedralCatch ....................   Passed    0.31 sec
 test 62
         Start  62: testMrvToMol
 
 62: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
 62: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse
 62: Test timeout computed to be: 1500
-60: Randomness seeded to: 2681342894
-60: ===============================================================================
-60: All tests passed (571 assertions in 14 test cases)
-60: 
-32: [07:09:11] Maximum BFS search size exceeded.
-32: This is likely due to a highly symmetric fused ring system.
- 51/222 Test  #60: depictorCatch ..........................   Passed    0.09 sec
+57: Randomness seeded to: 2868895792
+57: [03:13:04] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+57: [03:13:04] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+ 51/222 Test  #39: resMolSupplierTest .....................   Passed    1.66 sec
 test 63
         Start  63: fileParsersTest1
 
 63: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
 63: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 63: Test timeout computed to be: 1500
-32: F/C=C/Cl
-32: [H]/C(F)=C(/[H])Cl
-32: F/C=C/Cl
-32: F/C=C/Cl
-32: C/C(F)=C(/C)Cl
- 52/222 Test  #32: graphmolMolOpsTest .....................   Passed    0.70 sec
+57: [03:13:04] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
+57: [03:13:04] SMARTS Parse Error: unclosed ring for input: 'C1C'
+57: [03:13:04] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+57: [03:13:04] SMARTS Parse Error: syntax error while parsing: C)foo
+57: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
+57: [03:13:04] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
+57: [03:13:04] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
+57: [03:13:04] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
+59: [03:13:04] Warning: stereochemistry around double bond may be incorrect in depiction.
+57: [03:13:04] w block attempts to set wedging on bond 0 more than once.
+57: [03:13:04] improperly formatted w block
+57: [03:13:04] atom 3 is not associated with bond 1 in w block
+60: Randomness seeded to: 3674555207
+60: ===============================================================================
+60: All tests passed (571 assertions in 14 test cases)
+60: 
+ 52/222 Test  #60: depictorCatch ..........................   Passed    0.36 sec
 test 64
         Start  64: testMolSupplier
 
 64: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
 64: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 64: Test timeout computed to be: 1500
-63: ***************************************
-63: ***************************************
-64: [07:09:11] 
-64: -----------------------------------------
-63: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-62: Using new chirality perception
-62: Test
-62: 
-62:  NewChiralTest.sdf
-62: 
-62: Test
-62: 
-62:  NewChiralTest.sdf
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral.sdf
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral.sdf
-62: 
-62: Test
-62: 
-62:  NewChiralTestAllChiral.sdf
-62: 
-62: Test
-62: 
-62:  NewChiralTestAllChiral.sdf
-62: 
-62: Test
-62: 
-62:  ProblemShort.mol
-62: 
-62: [07:09:11] For a MultipleSgroup expansion, the matching orphaned bond was not found
-62: The multiple sgroup will be ignored
-64: [07:09:11] 
-64: 
-64: ****
-64: Invariant Violation
-64: bad prop value
-64: Violation occurred on line 158 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-64: Failed Expression: nSwaps < 2
-64: ****
-64: 
-63: [07:09:11] bond with order 0 found on line 7. This is not part of the MDL specification.
-63: [07:09:11] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-63: [07:09:11] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-63: [07:09:11] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-63: generating smiles
-63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-63: converting back
-63: check isomorphism
-59: [07:09:11] Warning: stereochemistry around double bond may be incorrect in depiction.
-25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-55: Randomness seeded to: 2851262633
-55: ===============================================================================
-55: All tests passed (1902 assertions in 21 test cases)
-55: 
- 53/222 Test  #55: cxsmilesTest ...........................   Passed    0.58 sec
+57: ===============================================================================
+57: All tests passed (1516 assertions in 53 test cases)
+57: 
+ 53/222 Test  #57: smiTestCatch ...........................   Passed    0.54 sec
 test 65
         Start  65: testGeneralFileReader
 
 65: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
 65: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 65: Test timeout computed to be: 1500
-64: [07:09:11] Finished: testMolSup()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testRandMolSup()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
- 54/222 Test  #59: testDepictor ...........................   Passed    0.41 sec
+ 54/222 Test  #59: testDepictor ...........................   Passed    0.55 sec
 test 66
         Start  66: testMultithreadedMolSupplier
 
 66: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
 66: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 66: Test timeout computed to be: 1500
-65: [07:09:11] 
+65: [03:13:05] 
 65: -----------------------------------------
-65: [07:09:11] Finished: testDetermineFormat()
-65: [07:09:11] -----------------------------------------
+65: [03:13:05] Finished: testDetermineFormat()
+65: [03:13:05] -----------------------------------------
 65: 
-65: [07:09:11] 
+65: [03:13:05] 
 65: -----------------------------------------
-25: All 191 tests passed
-65: [07:09:11] Finished: testSdf()
-65: [07:09:11] -----------------------------------------
+11: ..................
+11: ----------------------------------------------------------------------
+11: Ran 18 tests in 2.026s
+11: 
+11: OK
+66: [03:13:05] 
+66: -----------------------------------------
+64: [03:13:05] 
+64: -----------------------------------------
+ 55/222 Test  #11: pyBV ...................................   Passed    3.65 sec
+test 67
+        Start  67: testMolWriter
+
+67: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
+67: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+67: Test timeout computed to be: 1500
+65: [03:13:05] Finished: testSdf()
+65: [03:13:05] -----------------------------------------
 65: 
-65: [07:09:11] 
+65: [03:13:05] 
 65: -----------------------------------------
-65: [07:09:11] Finished: testSmi()
-65: [07:09:11] -----------------------------------------
+65: [03:13:05] Finished: testSmi()
+65: [03:13:05] -----------------------------------------
 65: 
-65: [07:09:11] 
+65: [03:13:05] 
 65: -----------------------------------------
-66: [07:09:11] 
-66: -----------------------------------------
-64: [07:09:11] Finished: testSmilesSup()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ------------------------------------------------------
-64: [07:09:11] SMILES Parse Error: syntax error while parsing: fail
-64: [07:09:11] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-64: [07:09:11] ERROR: Smiles parse error on line 3
-64: [07:09:11] ERROR: Cannot create molecule from : 'fail'
-64: [07:09:11] ------------------------------------------------------
-64: [07:09:11] ------------------------------------------------------
-64: [07:09:11] >>> This may result in an infinite loop.  It should finish almost immediately:
-64: [07:09:11] <<< done.
-64: [07:09:11] Finished: testSmilesSupFromText()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] 
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSmilesWriter()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSDWriter()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSDSupplierEnding()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSuppliersEmptyFile()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testCisTrans()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testStereoRound()
-64: [07:09:11] -----------------------------------------
+64: ****
+64: Invariant Violation
+64: bad prop value
+64: Violation occurred on line 158 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+64: Failed Expression: nSwaps < 2
+64: ****
 64: 
-64: [07:09:11] -----------------------------------------
-65: [07:09:11] Finished: testMae()
-65: [07:09:11] -----------------------------------------
+65: [03:13:05] Finished: testMae()
+65: [03:13:05] -----------------------------------------
 65: 
-65: [07:09:11] 
+65: [03:13:05] 
 65: -----------------------------------------
-64: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [07:09:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [07:09:11] Finished: testIssue226()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-65: [07:09:11] Finished: testTdt()
-65: [07:09:11] -----------------------------------------
+65: [03:13:05] Finished: testTdt()
+65: [03:13:05] -----------------------------------------
 65: 
-64: [07:09:11] Finished: testTDTSupplier1()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testTDTSupplier2()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testTDTSupplier3()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSDSupplierFromText()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
- 55/222 Test  #65: testGeneralFileReader ..................   Passed    0.11 sec
-test 67
-        Start  67: testMolWriter
+ 56/222 Test  #65: testGeneralFileReader ..................   Passed    0.31 sec
+test 68
+        Start  68: testTplParser
 
-67: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
-67: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-67: Test timeout computed to be: 1500
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Spurious data before the first property will be ignored
-64: [07:09:11] Property <ID> will be truncated after the first blank line
-64: [07:09:11] Property <ID> will be truncated after the first blank line
-64: [07:09:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-64: [07:09:11] Finished: testSDSupplierStrLax1()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-64: [07:09:11] Finished: testSDSupplierStrLax2()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Spurious data before the first property will be ignored
-64: [07:09:11] Property <ID> will be truncated after the first blank line
-64: [07:09:11] Property <ID> will be truncated after the first blank line
-64: [07:09:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-64: [07:09:11] Finished: testSDSupplierFromTextStrLax1()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ERROR: Problems encountered parsing data fields
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-64: [07:09:11] Finished: testSDSupplierFromTextStrLax2()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testIssue265()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ERROR: End of data field name not found
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Explicit valence for atom # 0 F, 2, is greater than permitted
-64: [07:09:11] ERROR: Could not sanitize molecule ending on line 16
-64: [07:09:11] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
-64: [07:09:11] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] ERROR: Bond line too short: 'M  END' on line 18
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Finished: testSDErrorHandling()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-25: 
-25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
-64: [07:09:11] Finished: testIssue381()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSetStreamIndices()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testMixIterAndRandom()
-64: [07:09:11] -----------------------------------------
-64: 
-64: [07:09:11] -----------------------------------------
-64: build:
-64: [07:09:11] Finished: testRemoveHs()
-64: [07:09:11] -----------------------------------------
+68: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
+68: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+68: Test timeout computed to be: 1500
+64: [03:13:05] Finished: testMolSup()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testGetItemText()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testRandMolSup()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testForwardSDSupplier()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSmilesSup()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testMissingCRSDSupplier()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] ------------------------------------------------------
+64: [03:13:05] SMILES Parse Error: syntax error while parsing: fail
+64: [03:13:05] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+64: [03:13:05] ERROR: Smiles parse error on line 3
+64: [03:13:05] ERROR: Cannot create molecule from : 'fail'
+64: [03:13:05] ------------------------------------------------------
+64: [03:13:05] ------------------------------------------------------
+64: [03:13:05] >>> This may result in an infinite loop.  It should finish almost immediately:
+64: [03:13:05] <<< done.
+64: [03:13:05] Finished: testSmilesSupFromText()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testIssue3482695()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSmilesWriter()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] ERROR: Cannot convert 'foo' to unsigned int on line 557
-64: [07:09:11] ERROR: moving to the beginning of the next molecule
-64: [07:09:11] Finished: testIssue3525673()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSDWriter()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testBlankLinesInProps()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+61: ..............[03:13:05] SMILES Parse Error: syntax error while parsing: invalidsmiles
+61: [03:13:05] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
+64: [03:13:05] Finished: testSDSupplierEnding()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testSkipLines()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+ 57/222 Test  #68: testTplParser ..........................   Passed    0.07 sec
+test 69
+        Start  69: testMol2ToMol
+
+69: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
+69: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+69: Test timeout computed to be: 1500
+64: [03:13:05] Finished: testSuppliersEmptyFile()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:11] Finished: testGitHub23()
-64: [07:09:11] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testCisTrans()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:11] -----------------------------------------
-64: [07:09:12] Finished: testGitHub88()
-64: [07:09:12] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testStereoRound()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:12] -----------------------------------------
-64: [07:09:12] Finished: testGitHub2285()
-64: [07:09:12] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+55: Randomness seeded to: 464748198
+55: ===============================================================================
+55: All tests passed (1902 assertions in 21 test cases)
+55: 
+ 58/222 Test  #55: cxsmilesTest ...........................   Passed    0.98 sec
+test 70
+        Start  70: testSequence
+
+70: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
+70: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+70: Test timeout computed to be: 1500
+64: [03:13:05] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [03:13:05] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [03:13:05] Finished: testIssue226()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:12] -----------------------------------------
-64: [07:09:12] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-64: [07:09:12] ERROR: Smiles parse error on line 1
-64: [07:09:12] ERROR: Cannot create molecule from : 'c1ccccc'
-64: [07:09:12] SMILES Parse Error: extra open parentheses for input: 'C(C'
-64: [07:09:12] ERROR: Smiles parse error on line 3
-64: [07:09:12] ERROR: Cannot create molecule from : 'C(C'
-64: [07:09:12] Explicit valence for atom # 1 C, 5, is greater than permitted
-64: [07:09:12] ERROR: Could not sanitize molecule on line 5
-64: [07:09:12] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-64: [07:09:12] Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Could not sanitize molecule ending on line 21
-64: [07:09:12] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Could not sanitize molecule ending on line 21
-64: [07:09:12] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Could not sanitize molecule ending on line 21
-64: [07:09:12] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Atom line too short: '   -9.6' on line 28
-64: [07:09:12] ERROR: moving to the beginning of the next molecule
-64: [07:09:12] Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Could not sanitize molecule ending on line 21
-64: [07:09:12] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-64: [07:09:12] ERROR: Atom line too short: '   -9.6' on line 28
-64: [07:09:12] ERROR: moving to the beginning of the next molecule
-64: [07:09:12] Finished: testGitHub2479()
-64: [07:09:12] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testTDTSupplier1()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:12] -----------------------------------------
-64: [07:09:12] 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testTDTSupplier2()
+64: [03:13:05] -----------------------------------------
 64: 
-64: ****
-64: Invariant Violation
-64: bad chiral bond
-64: Violation occurred on line 164 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-64: Failed Expression: bnd
-64: ****
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testTDTSupplier3()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:12] Finished: testGitHub2881()
-64: [07:09:12] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSDSupplierFromText()
+64: [03:13:05] -----------------------------------------
 64: 
-64: [07:09:12] -----------------------------------------
-64: [07:09:12] Finished: testGitHub3517()
-64: [07:09:12] -----------------------------------------
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Spurious data before the first property will be ignored
+64: [03:13:05] Property <ID> will be truncated after the first blank line
+64: [03:13:05] Property <ID> will be truncated after the first blank line
+64: [03:13:05] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+64: [03:13:05] Finished: testSDSupplierStrLax1()
+64: [03:13:05] -----------------------------------------
 64: 
- 56/222 Test  #64: testMolSupplier ........................   Passed    0.48 sec
-test 68
-        Start  68: testTplParser
-
-68: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
-68: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-68: Test timeout computed to be: 1500
-61: ..............[07:09:12] SMILES Parse Error: syntax error while parsing: invalidsmiles
-61: [07:09:12] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
- 57/222 Test  #68: testTplParser ..........................   Passed    0.04 sec
-test 69
-        Start  69: testMol2ToMol
-
-69: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
-69: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-69: Test timeout computed to be: 1500
+64: [03:13:05] -----------------------------------------
 61: .....
 61: ----------------------------------------------------------------------
-61: Ran 19 tests in 0.346s
+61: Ran 19 tests in 0.412s
 61: 
 61: OK
- 58/222 Test  #61: pyDepictor .............................   Passed    0.76 sec
-test 70
-        Start  70: testSequence
+ 59/222 Test  #37: hanoiTest ..............................   Passed    2.29 sec
+test 71
+        Start  71: testExtendedStereoParsing
 
-70: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
-70: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-70: Test timeout computed to be: 1500
+71: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
+71: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+71: Test timeout computed to be: 1500
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+64: [03:13:05] Finished: testSDSupplierStrLax2()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Spurious data before the first property will be ignored
+64: [03:13:05] Property <ID> will be truncated after the first blank line
+64: [03:13:05] Property <ID> will be truncated after the first blank line
+64: [03:13:05] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+64: [03:13:05] Finished: testSDSupplierFromTextStrLax1()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] ERROR: Problems encountered parsing data fields
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+64: [03:13:05] Finished: testSDSupplierFromTextStrLax2()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testIssue265()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
 70:   Sequence: GREG
 70:   HELM: PEPTIDE1{G.R.E.G}$$$$
 70:   Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
@@ -13661,13 +13541,6 @@
 70:   PDB:
 70: ATOM      1  N   THR A   1       0.000   0.000   0.000  1.00  0.00           N  
 70: ATOM      2  CA  THR A   1       0.000   0.000   0.000  1.00  0.00           C  
- 59/222 Test  #69: testMol2ToMol ..........................   Passed    0.14 sec
-test 71
-        Start  71: testExtendedStereoParsing
-
-71: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
-71: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-71: Test timeout computed to be: 1500
 70: ATOM      3  C   THR A   1       0.000   0.000   0.000  1.00  0.00           C  
 70: ATOM      4  O   THR A   1       0.000   0.000   0.000  1.00  0.00           O  
 70: ATOM      5  CB  THR A   1       0.000   0.000   0.000  1.00  0.00           C  
@@ -14598,45 +14471,268 @@
 72: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 72: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 72: Test timeout computed to be: 1500
-67: [07:09:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
- 61/222 Test  #71: testExtendedStereoParsing ..............   Passed    0.04 sec
+67: [03:13:05] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+ 61/222 Test  #61: pyDepictor .............................   Passed    0.81 sec
 test 73
         Start  73: testPropertyLists
 
 73: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
 73: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 73: Test timeout computed to be: 1500
-73: Randomness seeded to: 4025973884
-73: ===============================================================================
-73: All tests passed (95 assertions in 4 test cases)
-73: 
- 62/222 Test  #73: testPropertyLists ......................   Passed    0.02 sec
+64: [03:13:05] ERROR: End of data field name not found
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+62: Using new chirality perception
+62: Test
+62: 
+62:  NewChiralTest.sdf
+62: 
+62: Test
+62: 
+62:  NewChiralTest.sdf
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral.sdf
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral.sdf
+62: 
+62: Test
+62: 
+62:  NewChiralTestAllChiral.sdf
+62: 
+62: Test
+62: 
+62:  NewChiralTestAllChiral.sdf
+62: 
+62: Test
+62: 
+62:  ProblemShort.mol
+62: 
+62: [03:13:05] For a MultipleSgroup expansion, the matching orphaned bond was not found
+62: The multiple sgroup will be ignored
+64: [03:13:05] Explicit valence for atom # 0 F, 2, is greater than permitted
+64: [03:13:05] ERROR: Could not sanitize molecule ending on line 16
+64: [03:13:05] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
+25: All 191 tests passed
+63: ***************************************
+63: ***************************************
+ 62/222 Test  #71: testExtendedStereoParsing ..............   Passed    0.07 sec
 test 74
         Start  74: XYZFileParserCatchTest
 
 74: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
 74: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 74: Test timeout computed to be: 1500
-72: Randomness seeded to: 1103612452
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-72: [07:09:12] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-72: [07:09:12] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
-72: [07:09:12] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-72: [07:09:12] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-72: [07:09:12] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup 3 referenced on line 40 not found.
-72: [07:09:12] 
+63: [03:13:05] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+63: [03:13:05] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [03:13:05] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] ERROR: Bond line too short: 'M  END' on line 18
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Finished: testSDErrorHandling()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testIssue381()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSetStreamIndices()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+73: Randomness seeded to: 2073431664
+73: ===============================================================================
+73: All tests passed (95 assertions in 4 test cases)
+73: 
+ 63/222 Test  #73: testPropertyLists ......................   Passed    0.25 sec
+test 75
+        Start  75: cdxmlParserCatchTest
+
+75: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
+75: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+75: Test timeout computed to be: 1500
+67: [03:13:05] bond with order 0 found on line 11. This is not part of the MDL specification.
+67: [03:13:05] bond with order 0 found on line 16. This is not part of the MDL specification.
+64: [03:13:05] Finished: testMixIterAndRandom()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: build:
+64: [03:13:05] Finished: testRemoveHs()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testGetItemText()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testForwardSDSupplier()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+74: Randomness seeded to: 496646166
+74: ===============================================================================
+74: All tests passed (100 assertions in 2 test cases)
+74: 
+ 64/222 Test  #74: XYZFileParserCatchTest .................   Passed    0.33 sec
+test 76
+        Start  76: molfileStereoCatchTest
+
+76: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
+76: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+76: Test timeout computed to be: 1500
+64: [03:13:05] Finished: testMissingCRSDSupplier()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+ 65/222 Test  #67: testMolWriter ..........................   Passed    0.76 sec
+test 77
+        Start  77: connectTheDotsTest
+
+77: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
+77: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+77: Test timeout computed to be: 1500
+25: 
+25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
+64: [03:13:05] Finished: testIssue3482695()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] ERROR: Cannot convert 'foo' to unsigned int on line 557
+64: [03:13:05] ERROR: moving to the beginning of the next molecule
+64: [03:13:05] Finished: testIssue3525673()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testBlankLinesInProps()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testSkipLines()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testGitHub23()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+64: [03:13:05] Finished: testGitHub88()
+64: [03:13:05] -----------------------------------------
+64: 
+64: [03:13:05] -----------------------------------------
+77: Randomness seeded to: 4272336358
+77: ===============================================================================
+77: All tests passed (8 assertions in 1 test case)
+77: 
+ 66/222 Test  #77: connectTheDotsTest .....................   Passed    0.21 sec
+test 78
+        Start  78: testSubstructMatch
+
+78: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+78: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+78: Test timeout computed to be: 1500
+76: Randomness seeded to: 3763156282
+76: [03:13:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+76: [03:13:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+76: [03:13:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+76: [03:13:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+76: [03:13:06] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 2 ignored
+76: ===============================================================================
+76: All tests passed (142 assertions in 6 test cases)
+76: 
+ 67/222 Test  #76: molfileStereoCatchTest .................   Passed    0.23 sec
+test 79
+        Start  79: substructTestCatch
+
+79: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
+79: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+79: Test timeout computed to be: 1500
+64: [03:13:06] Finished: testGitHub2285()
+64: [03:13:06] -----------------------------------------
+64: 
+64: [03:13:06] -----------------------------------------
+64: [03:13:06] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+64: [03:13:06] ERROR: Smiles parse error on line 1
+64: [03:13:06] ERROR: Cannot create molecule from : 'c1ccccc'
+64: [03:13:06] SMILES Parse Error: extra open parentheses for input: 'C(C'
+64: [03:13:06] ERROR: Smiles parse error on line 3
+64: [03:13:06] ERROR: Cannot create molecule from : 'C(C'
+64: [03:13:06] Explicit valence for atom # 1 C, 5, is greater than permitted
+64: [03:13:06] ERROR: Could not sanitize molecule on line 5
+64: [03:13:06] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+64: [03:13:06] Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Could not sanitize molecule ending on line 21
+64: [03:13:06] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Could not sanitize molecule ending on line 21
+64: [03:13:06] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Could not sanitize molecule ending on line 21
+64: [03:13:06] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Atom line too short: '   -9.6' on line 28
+64: [03:13:06] ERROR: moving to the beginning of the next molecule
+64: [03:13:06] Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Could not sanitize molecule ending on line 21
+64: [03:13:06] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+64: [03:13:06] ERROR: Atom line too short: '   -9.6' on line 28
+64: [03:13:06] ERROR: moving to the beginning of the next molecule
+64: [03:13:06] Finished: testGitHub2479()
+64: [03:13:06] -----------------------------------------
+64: 
+64: [03:13:06] -----------------------------------------
+64: [03:13:06] 
+64: 
+64: ****
+64: Invariant Violation
+64: bad chiral bond
+64: Violation occurred on line 164 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+64: Failed Expression: bnd
+64: ****
+64: 
+64: [03:13:06] Finished: testGitHub2881()
+64: [03:13:06] -----------------------------------------
+64: 
+64: [03:13:06] -----------------------------------------
+64: [03:13:06] Finished: testGitHub3517()
+64: [03:13:06] -----------------------------------------
+64: 
+ 68/222 Test  #64: testMolSupplier ........................   Passed    1.09 sec
+test 80
+        Start  80: testGenericGroups
+
+80: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
+80: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
+80: Test timeout computed to be: 1500
+ 69/222 Test  #69: testMol2ToMol ..........................   Passed    0.73 sec
+test 81
+        Start  81: testReaction
+
+81: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
+81: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+81: Test timeout computed to be: 1500
+72: Randomness seeded to: 1708544997
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+72: [03:13:06] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+72: [03:13:06] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
+72: [03:13:06] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+72: [03:13:06] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+72: [03:13:06] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup 3 referenced on line 40 not found.
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14645,8 +14741,8 @@
 72: Failed Expression: !d_bonds.empty()
 72: ****
 72: 
-72: [07:09:12] SGroup 3 referenced on line 40 not found.
-72: [07:09:12] 
+72: [03:13:06] SGroup 3 referenced on line 40 not found.
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14655,13 +14751,13 @@
 72: Failed Expression: !d_bonds.empty()
 72: ****
 72: 
-72: [07:09:12] no bonds
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup line too short: 'M  SBV   1   6' on line 42
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
-72: [07:09:12] SGroup 2 is invalid and will be ignored
-72: [07:09:12] 
+72: [03:13:06] no bonds
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup line too short: 'M  SBV   1   6' on line 42
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
+72: [03:13:06] SGroup 2 is invalid and will be ignored
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14670,7 +14766,7 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14679,8 +14775,8 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] 
+72: [03:13:06] bookmark not found
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14689,9 +14785,9 @@
 72: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end()
 72: ****
 72: 
-72: [07:09:12] bond is not part of the SubstanceGroup
-72: [07:09:12] SGroup 2 is invalid and will be ignored
-72: [07:09:12] 
+72: [03:13:06] bond is not part of the SubstanceGroup
+72: [03:13:06] SGroup 2 is invalid and will be ignored
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14700,7 +14796,7 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14709,11 +14805,11 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
-72: [07:09:12] SGroup 2 is invalid and will be ignored
-72: [07:09:12] WARNING: final character of V3000 array is not ')'
-72: [07:09:12] 
+72: [03:13:06] bookmark not found
+72: [03:13:06] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
+72: [03:13:06] SGroup 2 is invalid and will be ignored
+72: [03:13:06] WARNING: final character of V3000 array is not ')'
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14722,8 +14818,8 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] WARNING: final character of V3000 array is not ')'
-72: [07:09:12] 
+72: [03:13:06] WARNING: final character of V3000 array is not ')'
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14732,10 +14828,10 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] WARNING: final character of V3000 array is not ')'
-72: [07:09:12] 
+72: [03:13:06] bookmark not found
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] WARNING: final character of V3000 array is not ')'
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14744,8 +14840,8 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] WARNING: final character of V3000 array is not ')'
-72: [07:09:12] 
+72: [03:13:06] WARNING: final character of V3000 array is not ')'
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14754,9 +14850,9 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] SGroup 1 is invalid and will be ignored
-72: [07:09:12] 
+72: [03:13:06] bookmark not found
+72: [03:13:06] SGroup 1 is invalid and will be ignored
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14765,7 +14861,7 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14774,9 +14870,9 @@
 72: Failed Expression: (lu != d_bondBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] SGroup 2 is invalid and will be ignored
-72: [07:09:12] 
+72: [03:13:06] bookmark not found
+72: [03:13:06] SGroup 2 is invalid and will be ignored
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14785,7 +14881,7 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14794,38 +14890,172 @@
 72: Failed Expression: (lu != d_atomBookmarks.end())
 72: ****
 72: 
-72: [07:09:12] bookmark not found
-72: [07:09:12] SGroup 2 is invalid and will be ignored
-72: [07:09:12] Explicit valence for atom # 2 O, 3, is greater than permitted
-72: [07:09:12] Explicit valence for atom # 1 O, 3, is greater than permitted
-72: [07:09:12] Explicit valence for atom # 1 C, 5, is greater than permitted
-67: [07:09:12] bond with order 0 found on line 11. This is not part of the MDL specification.
-67: [07:09:12] bond with order 0 found on line 16. This is not part of the MDL specification.
-74: Randomness seeded to: 924891452
-74: ===============================================================================
-74: All tests passed (100 assertions in 2 test cases)
-74: 
- 63/222 Test  #74: XYZFileParserCatchTest .................   Passed    0.05 sec
-test 75
-        Start  75: cdxmlParserCatchTest
+72: [03:13:06] bookmark not found
+72: [03:13:06] SGroup 2 is invalid and will be ignored
+72: [03:13:06] Explicit valence for atom # 2 O, 3, is greater than permitted
+72: [03:13:06] Explicit valence for atom # 1 O, 3, is greater than permitted
+72: [03:13:06] Explicit valence for atom # 1 C, 5, is greater than permitted
+78:  ----------------- Test 1
+78: Done
+78: 
+78:  ----------------- Test 2
+78: Done
+78: 
+78:  ----------------- Test 3
+78: Done
+78: 
+78:  ----------------- Test 4
+78: Done
+78: 
+78:  ----------------- Test 5
+78: Done
+78: 
+78:  ----------------- Test 5 QueryRoot
+78: Done
+78: 
+78:  ----------------- Test 6 (Issue71 related)
+78: Done
+78: 
+78:  ----------------- Testing serial numbers on recursive queries
+78: Done
+78: 
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test multithreading
+78: reading molecules
+81: smi: O=C1CNC(=O)CN1
+81: 1: O=C1CNC(=O)CN1
+81: 2: COOC
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+78:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+78: processing
+78:  launch :0
+78:  launch :1
+78:  launch :2
+78:  launch :3
+81: O=C1CNC(=O)CN1
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 4 
+78:  done
+78:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+78: processing2
+78:  launch2 :0
+78:  launch2 :1
+78:  launch2 :2
+78:  launch2 :3
+78:  done
+78:  preprocessing 3
+78:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
+78: processing3
+78:  launch3 :0
+78:  launch3 :1
+78:  launch3 :2
+78:  launch3 :3
+75: Randomness seeded to: 2764026785
+75: [03:13:06] Invalid or missing fragment id from CDXML fragment, assigning new one...
+75: [03:13:06] Explicit valence for atom # 3 N, 4, is greater than permitted
+75: [03:13:06] CDXMLParser: failed sanitizing skipping fragment 32
+75: [03:13:06] Bad bond in CDXML skipping fragment 58...
+75: [03:13:06] Invalid or missing fragment id from CDXML fragment, assigning new one...
+75: [03:13:06] Bad bond in CDXML skipping fragment 58...
+78:  done
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test GitHub issue 15
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test GitHub issue 409
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test chiral matching
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test dative-bond matching
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test cis/trans matching
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Test cis/trans matching part 2
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
+78: [03:13:06]   done
+78: [03:13:06] -------------------------------------
+78: [03:13:06]     Testing matching E/Z against Cis/Trans stereo bonds
+78: [03:13:06] 
+78: 
+78: ****
+78: Pre-condition Violation
+78: matches must not be empty
+78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+78: Failed Expression: !matches.empty()
+78: ****
+78: 
+81: [03:13:06] atom 0 in product 0 has multiple charge specifications.
+81:  mass: 15.0001
+81: Oc1ccccn1
+81: Oc1ccc[nH]1
+78: [03:13:06] 
+78: 
+78: ****
+78: Pre-condition Violation
+78: matches must not be empty
+78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+78: Failed Expression: !matches.empty()
+78: ****
+78: 
+78: [03:13:06] -------------------------------------
+78: [03:13:06] Test substructure matching with a pathological case for symmetric SSSR
+78: [03:13:06] -------------------------------------
+78: [03:13:06] Test isAtomTerminalRGroupOrQueryHydrogen
+ 70/222 Test  #78: testSubstructMatch .....................   Passed    0.27 sec
+test 82
+        Start  82: testReactionFingerprints
 
-75: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
-75: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-75: Test timeout computed to be: 1500
-63: [07:09:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
- 64/222 Test  #67: testMolWriter ..........................   Passed    0.44 sec
-test 76
-        Start  76: molfileStereoCatchTest
+82: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
+82: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+82: Test timeout computed to be: 1500
+82: [03:13:06] -------------------------------------
+82: [03:13:06]     Test Reaction StructuralFingerprint
+72: [03:13:06] sanitize [03:13:06] UNK: [03:13:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: ([C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: [C:2])
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
+82: [03:13:06] -------------------------------------
+82: [03:13:06]     Test Reaction DifferenceFingerprint
+ 71/222 Test  #82: testReactionFingerprints ...............   Passed    0.05 sec
+test 83
+        Start  83: testEnumeration
 
-76: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
-76: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-76: Test timeout computed to be: 1500
-72: [07:09:12] sanitize [07:09:12] UNK: [07:09:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-72: [07:09:12] skipping block at line 7: 'BEGIN ATOM'
-72: [07:09:12] 
+83: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
+83: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+83: Test timeout computed to be: 1500
+81: [03:13:06] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+81: [03:13:06] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+79: Randomness seeded to: 2189323961
+79: ===============================================================================
+79: All tests passed (143 assertions in 7 test cases)
+79: 
+ 72/222 Test  #79: substructTestCatch .....................   Passed    0.33 sec
+test 84
+        Start  84: rxnTestCatch
+
+84: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
+84: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+84: Test timeout computed to be: 1500
+81: [03:13:06] reactant 2 has no mapped atoms.
+72: [03:13:06] skipping block at line 7: 'BEGIN ATOM'
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14834,7 +15064,7 @@
 72: Failed Expression: dp_inStream
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14843,7 +15073,7 @@
 72: Failed Expression: dp_inStream
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14852,7 +15082,7 @@
 72: Failed Expression: dp_inStream
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14861,7 +15091,7 @@
 72: Failed Expression: dp_inStream
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14870,9 +15100,9 @@
 72: Failed Expression: dp_sInStream != nullptr
 72: ****
 72: 
-72: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 21
-72: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 20
-72: [07:09:12] 
+72: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 21
+72: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 20
+72: [03:13:06] 
 72: 
 72: ****
 72: Post-condition Violation
@@ -14881,13 +15111,13 @@
 72: Failed Expression: anum > -1
 72: ****
 72: 
-72: [07:09:12] BEGIN SGROUP line not found on line 14
-72: [07:09:12]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
-72: [07:09:12] END SGROUP line not found on line 14
-72: [07:09:12] END SGROUP line not found on line 14
-72: [07:09:12] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
-72: [07:09:12] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
-72: [07:09:12] 
+72: [03:13:06] BEGIN SGROUP line not found on line 14
+72: [03:13:06]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
+72: [03:13:06] END SGROUP line not found on line 14
+72: [03:13:06] END SGROUP line not found on line 14
+72: [03:13:06] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
+72: [03:13:06] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
+72: [03:13:06] 
 72: 
 72: ****
 72: Range Error
@@ -14896,40 +15126,47 @@
 72: Failed Expression: 99 < 9
 72: ****
 72: 
-72: [07:09:12] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
-72: [07:09:12] Multiple ATTCHPT values for atom 2 on line 9
-72: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 12
-72: [07:09:12] SMARTS Parse Error: syntax error while parsing: [#6;R
-72: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
-72: [07:09:12] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
-72: [07:09:12] Skipping empty SMARTS value for SMARTSQ.
-72: [07:09:12] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
-72: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 12
-72: [07:09:12] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-76: Randomness seeded to: 1944087594
-76: [07:09:12] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-76: [07:09:12] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-76: [07:09:12] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-76: [07:09:12] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-76: [07:09:12] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 2 ignored
-76: ===============================================================================
-76: All tests passed (142 assertions in 6 test cases)
-76: 
- 65/222 Test  #76: molfileStereoCatchTest .................   Passed    0.05 sec
-test 77
-        Start  77: connectTheDotsTest
-
-77: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
-77: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-77: Test timeout computed to be: 1500
-72: [07:09:12] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-72: [07:09:12] WARNING: Skipping property bar because the value includes an illegal blank line
-72: [07:09:12] WARNING: Skipping property baz because the value includes an illegal blank line
-72: [07:09:12] WARNING: Skipping property bletch
+72: [03:13:06] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
+72: [03:13:06] Multiple ATTCHPT values for atom 2 on line 9
+72: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 12
+72: [03:13:06] SMARTS Parse Error: syntax error while parsing: [#6;R
+72: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
+72: [03:13:06] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
+72: [03:13:06] Skipping empty SMARTS value for SMARTSQ.
+72: [03:13:06] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
+72: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 12
+72: [03:13:06] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] WARNING: not removing hydrogen atom without neighbors
+75: [03:13:06] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents fragment 64603 not found in document.
+81: [03:13:06] >> Atoms within one molecule have different RXN roles.
+81: [03:13:06] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: ([C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
+81: [03:13:06] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
+81: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
+84: Randomness seeded to: 137975919
+84: [03:13:06] atom 0 in product 0 has multiple charge specifications.
+72: [03:13:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+72: [03:13:06] WARNING: Skipping property bar because the value includes an illegal blank line
+72: [03:13:06] WARNING: Skipping property baz because the value includes an illegal blank line
+72: [03:13:06] WARNING: Skipping property bletch
 72: nope because the name includes a newline
-72: [07:09:12] WARNING: Skipping property bletch
+72: [03:13:06] WARNING: Skipping property bletch
 72: nope2 because the name includes a newline
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Post-condition Violation
@@ -14938,7 +15175,7 @@
 72: Failed Expression: anum > -1
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Post-condition Violation
@@ -14947,7 +15184,7 @@
 72: Failed Expression: anum > -1
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Post-condition Violation
@@ -14956,7 +15193,7 @@
 72: Failed Expression: anum > -1
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Post-condition Violation
@@ -14965,9 +15202,120 @@
 72: Failed Expression: anum > -1
 72: ****
 72: 
-72: [07:09:12]  atom 3 has a negative isotope value. line:  15
-63: [07:09:12]  deprecated group abbreviation ignored on line 24
-72: [07:09:12] 
+72: [03:13:06]  atom 3 has a negative isotope value. line:  15
+81: [03:13:06] reactant 0 has no mapped atoms.
+81: [03:13:06] reactant 1 has no mapped atoms.
+81: [03:13:06] reactant 3 has no mapped atoms.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 5 found multiple times.
+81: [03:13:06] product atom-mapping number 6 found multiple times.
+81: [03:13:06] product atom-mapping number 7 found multiple times.
+81: [03:13:06] product atom-mapping number 8 found multiple times.
+81: [03:13:06] product atom-mapping number 12 found multiple times.
+81: [03:13:06] product atom-mapping number 9 found multiple times.
+81: [03:13:06] product atom-mapping number 10 found multiple times.
+81: [03:13:06] product atom-mapping number 11 found multiple times.
+81: [03:13:06] reactant 0 has no mapped atoms.
+81: [03:13:06] reactant 1 has no mapped atoms.
+81: [03:13:06] reactant 3 has no mapped atoms.
+81: [03:13:06] reactant atom-mapping number 19 found multiple times.
+81: [03:13:06] reactant atom-mapping number 25 found multiple times.
+81: [03:13:06] reactant atom-mapping number 20 found multiple times.
+81: [03:13:06] reactant atom-mapping number 21 found multiple times.
+81: [03:13:06] reactant atom-mapping number 22 found multiple times.
+81: [03:13:06] reactant atom-mapping number 23 found multiple times.
+81: [03:13:06] reactant atom-mapping number 24 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 5 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 5 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 5 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 5 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: F[C@](Cl)(Br)O[C@](F)(Cl)Br
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 4 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 4 
+81: [03:13:06] product atom-mapping number 3 found multiple times.
+81: [03:13:06] product atom-mapping number 2 found multiple times.
+81: [03:13:06] product atom-mapping number 1 found multiple times.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 4 
+81: [03:13:06] product atom-mapping number 6 not found in reactants.
+81: [03:13:06] product atom-mapping number 7 not found in reactants.
+81: [03:13:06] product atom-mapping number 8 not found in reactants.
+83: 30000000 30000000
+72: [03:13:06] 
 72: 
 72: ****
 72: Invariant Violation
@@ -14976,7 +15324,7 @@
 72: Failed Expression: nSwaps < 2
 72: ****
 72: 
-72: [07:09:12] 
+72: [03:13:06] 
 72: 
 72: ****
 72: Pre-condition Violation
@@ -14985,1032 +15333,112 @@
 72: Failed Expression: dp_sInStream
 72: ****
 72: 
-77: Randomness seeded to: 636464815
-77: ===============================================================================
-77: All tests passed (8 assertions in 1 test case)
-77: 
-75: Randomness seeded to: 527657911
-75: [07:09:12] Invalid or missing fragment id from CDXML fragment, assigning new one...
-75: [07:09:12] Explicit valence for atom # 3 N, 4, is greater than permitted
-75: [07:09:12] CDXMLParser: failed sanitizing skipping fragment 32
-75: [07:09:12] Bad bond in CDXML skipping fragment 58...
- 66/222 Test  #77: connectTheDotsTest .....................   Passed    0.04 sec
-test 78
-        Start  78: testSubstructMatch
-
-78: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-78: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-78: Test timeout computed to be: 1500
-75: [07:09:12] Invalid or missing fragment id from CDXML fragment, assigning new one...
-75: [07:09:12] Bad bond in CDXML skipping fragment 58...
-63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-63: [07:09:12] 
-63: 
-63: ****
-63: Post-condition Violation
-63: Element 'Mv' not found
-63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-63: Failed Expression: anum > -1
-63: ****
-63: 
-78:  ----------------- Test 1
-78: Done
-78: 
-78:  ----------------- Test 2
-78: Done
-78: 
-78:  ----------------- Test 3
-78: Done
-78: 
-78:  ----------------- Test 4
-78: Done
-78: 
-78:  ----------------- Test 5
-78: Done
-78: 
-78:  ----------------- Test 5 QueryRoot
-78: Done
-78: 
-78:  ----------------- Test 6 (Issue71 related)
-78: Done
-78: 
-78:  ----------------- Testing serial numbers on recursive queries
-78: Done
-78: 
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test multithreading
-78: reading molecules
-72: [07:09:12] ERROR: molecules without atoms cannot be exported to Maestro files.
-72: [07:09:12] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-72: [07:09:12] ERROR: the mol cannot be kekulized, and will not be written to the output file.
-72: [07:09:12] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
-72: [07:09:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-72: [07:09:12] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-72: [07:09:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-72: [07:09:12] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-72: ===============================================================================
-72: All tests passed (1311 assertions in 87 test cases)
-72: 
- 67/222 Test  #72: fileParsersCatchTest ...................   Passed    0.24 sec
-test 79
-        Start  79: substructTestCatch
-
-79: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
-79: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-79: Test timeout computed to be: 1500
-78:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-78: processing
-78:  launch :0
-78:  launch :1
-78:  launch :2
-78:  launch :3
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] WARNING: not removing hydrogen atom without neighbors
-75: [07:09:12] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents fragment 64603 not found in document.
-75: [07:09:12] Incomplete atom labelling, cannot make bond
-75: [07:09:12] Incomplete atom labelling, cannot make bond
-75: [07:09:12] Incomplete atom labelling, cannot make bond
-78:  done
-78:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-78: processing2
-78:  launch2 :0
-78:  launch2 :1
-78:  launch2 :2
-78:  launch2 :3
-78:  done
-78:  preprocessing 3
-78:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
-78: processing3
-78:  launch3 :0
-78:  launch3 :1
-78:  launch3 :2
-78:  launch3 :3
- 68/222 Test  #39: resMolSupplierTest .....................   Passed    1.67 sec
-test 80
-        Start  80: testGenericGroups
-
-80: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
-80: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
-80: Test timeout computed to be: 1500
-75: [07:09:12] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-75: [07:09:12] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-75: [07:09:12] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
-75: [07:09:12] Failed to parse XML fragment 5 node: b attribute: Order: 5
-62: Test
-62: 
-62:  lostStereoAnd.sdf
-62: 
-62: Test
-62: 
-62:  DoubleBondChain.sdf
-62: 
-62: Test
-62: 
-62:  UnitsError.sdf
-62: 
-62: Test
-62: 
-62:  StarAtom.sdf
-62: 
-62: Test
-62: 
-62:  nonProprietary.mol
-62: 
-62: Test
-62: 
-62:  ChiralTest.sdf
-62: 
-62: Test
-62: 
-62:  TestBond1.mol
-62: 
-62: Test
-62: 
-62:  Sgroup_MUL_ParentInMiddle.sdf
-62: 
-62: Test
-62: 
-62:  Cubane.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTest.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTest.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTestAllChiral.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTestAllChiral.mrv
-62: 
-62: Test
-62: 
-62:  lostStereoAnd.mrv
-62: 
-62: Test
-62: 
-62:  DoubleBondChain.mrv
-62: 
-62: Test
-62: 
-62:  WigglyAndCrossed.mrv
-62: 
-62: Test
-62: 
-62:  BondTypes.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSGroupSUP_MUL.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupCOP_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupDAT_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupMULTICENTER_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupMUL_MUL.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupMUL_MUL2.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupMUL_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSRU_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSUPEXP_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSUPEXP_SUP2.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSUP_MULTICENTER.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSUP_SUP.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroupSUP_SUP2.mrv
-62: 
-62: Test
-62: 
-62:  RgroupBad.mrv
-62: 
-62: Test
-62: 
-62:  valenceLessThanDrawn.mrv
-62: 
-62: Test
-62: 
-62:  data_sgroup_no_fieldname.mrv
-62: 
-62: Test
-62: 
-62:  data_sgroup_empty_field_data.mrv
-62: 
-62: Test
-62: 
-62:  radical_value.mrv
-62: 
-62: Test
-62: 
-62:  emptyOneLineAtomList.mrv
-62: 
-62: Test
-62: 
-62:  mrvValence_value.mrv
-62: 
-62: Test
-62: 
-62:  ChiralTest2.mrv
-62: 
-62: Test
-62: 
-62:  ChiralTest.mrv
-62: 
-62: Test
-62: 
-62:  SnCl2.mrv
-62: 
-62: Test
-62: 
-62:  SnH2Cl2.mrv
-62: 
-62: Test
-62: 
-62:  marvin01.mrv
-62: 
-62: Test
-62: 
-62:  marvin02.mrv
-62: 
-62: Test
-62: 
-62:  marvin07.mrv
-62: 
-62: Test
-62: 
-62:  marvin10.mrv
-62: 
-62: Test
-62: 
-62:  marvin06.mrv
-62: 
-62: Test
-62: 
-62:  marvin12.mrv
-62: 
-62: Test
-62: 
-62:  EmptyMol.mrv
-62: 
-62: Test
-62: 
-62:  Sparse.mrv
-62: 
-62: Test
-62: 
-62:  Sparse2.mrv
-62: 
-62: Test
-62: 
-62:  Sparse3.mrv
-62: 
-62: Test
-62: 
-62:  MarvinNoCoords.mrv
-62: 
-62: Test
-62: 
-62:  aspirin.mrv
-62: 
-62: Test
-62: 
-62:  MarvinStereoGroupsZeros.mrv
-62: 
-62: Test
-62: 
-62:  MarvinStereoGroupsAbs.mrv
-62: 
-62: Test
-62: 
-62:  triphenylphosphine.mrv
-62: 
-62: Test
-62: 
-62:  MarvinOldSuperGroupTest.mrv
-62: 
-62: Test
-62: 
-62:  RadicalTests.mrv
-62: 
-62: Test
-62: 
-62:  AnyBond.mrv
-62: 
-62: Test
-62: 
-62:  cisBenzene.mrv
-62: 
-62: Test
-62: 
-62:  DativeBond.mrv
-62: 
-62: Test
-62: 
-62:  MultipleSgroup.mrv
-62: 
-62: Test
-62: 
-62:  SgroupExpanded.mrv
-62: 
-62: Test
-62: 
-62:  SgroupMultAttach.mrv
-62: 
-62: Test
-62: 
-62:  MarvinMissingX2.mrv
-62: 
-62: Test
-62: 
-62:  MarvinMissingY2.mrv
-62: 
-62: Test
-62: 
-62:  DataSgroup.mrv
-62: 
-62: Test
-62: 
-62:  MulticenterSgroup.mrv
-62: 
-62: [07:09:12] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-62: [07:09:12] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-75: ===============================================================================
-75: All tests passed (252 assertions in 4 test cases)
-75: 
-78:  done
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test GitHub issue 15
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test GitHub issue 409
- 69/222 Test  #75: cdxmlParserCatchTest ...................   Passed    0.31 sec
-test 81
-        Start  81: testReaction
-
-81: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
-81: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-81: Test timeout computed to be: 1500
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test chiral matching
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test dative-bond matching
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test cis/trans matching
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Test cis/trans matching part 2
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
-78: [07:09:12]   done
-78: [07:09:12] -------------------------------------
-78: [07:09:12]     Testing matching E/Z against Cis/Trans stereo bonds
-78: [07:09:12] 
-78: 
-78: ****
-78: Pre-condition Violation
-78: matches must not be empty
-78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-78: Failed Expression: !matches.empty()
-78: ****
-78: 
-78: [07:09:12] 
-78: 
-78: ****
-78: Pre-condition Violation
-78: matches must not be empty
-78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-78: Failed Expression: !matches.empty()
-78: ****
-78: 
-78: [07:09:12] -------------------------------------
-78: [07:09:12] Test substructure matching with a pathological case for symmetric SSSR
-78: [07:09:12] -------------------------------------
-78: [07:09:12] Test isAtomTerminalRGroupOrQueryHydrogen
- 70/222 Test  #78: testSubstructMatch .....................   Passed    0.22 sec
-test 82
-        Start  82: testReactionFingerprints
-
-82: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
-82: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-82: Test timeout computed to be: 1500
-62: Test
-62: 
-62:  GenericSgroup.mrv
-62: 
-62: Test
-62: 
-62:  MonomerSgroup.mrv
-62: 
-62: Test
-62: 
-62:  modification_sgroup.mrv
-62: 
-62: Test
-62: 
-62:  copolymer_sgroup.mrv
-62: 
-62: Test
-62: 
-62:  MultipleSgroupParentInMiddleOfAtomBlock.mrv
-62: 
-62: Test
-62: 
-62:  EmbeddedSgroups.mrv
-62: 
-62: Test
-62: 
-62:  marvin03.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingMolID.mrv
-62: 
-62: [07:09:12] 
-62: 
-62: ****
-62: Test Assert
-62: Expression Failed: 
-62: Violation occurred on line 309 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
-62: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr
-62: ****
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingAtomID.mrv
-62: 
-62: Expected id, elementType for an atom definition in MRV file
-62: Test
-62: 
-62:  MarvinBadX2.mrv
-62: 
-62: The values x2 and y2 must be large floats in MRV file
-62: Test
-62: 
-62:  MarvinBadY2.mrv
-62: 
-62: The values x2 and y2 must be large floats in MRV file
-62: Test
-62: 
-62:  MarvinBadStereoGroupsAbs.mrv
-62: 
-62: Unrecognized group definition
-62: Test
-62: 
-62:  MarvinBadElementType.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingBondID.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingBondAtomRefs
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingBondOrder.mrv
-62: 
-62: bond must have one of:  order, queryType, or convention in MRV File 
-62: Test
-62: 
-62:  MarvinBadMissingSruMolID.mrv
-62: 
-62: Expected a molID in MRV file
-81: smi: O=C1CNC(=O)CN1
-81: 1: O=C1CNC(=O)CN1
-81: 2: COOC
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-62: Test
-62: 
-62:  MarvinBadMissingSruID.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingSruRole.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingSruAtomRef.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadMissingSruTitle.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadSruAtomRef.mrv
-62: 
-62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-81: O=C1CNC(=O)CN1
-82: [07:09:12] -------------------------------------
-82: [07:09:12]     Test Reaction StructuralFingerprint
-62: Test
-62: 
-62:  MarvinBadSruID.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadSruRole.mrv
-62: 
-62: Test
-62: 
-62:  MarvinBadSruAtomRef.mrv
-62: 
-62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 4 
-62: Test
-62: 
-62:  MarvinBadSruAtomRef.mrv
-62: 
-62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-62: Test
-62: 
-62:  MarvinBadSruConnect.mrv
-62: 
-62: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
-62: Test
-62: 
-62:  MarvinBadSupAttachAtom.mrv
-62: 
-62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-62: Test
-62: 
-62:  MarvinBadSupAttachBond.mrv
-62: 
-62: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
-62: Test
-62: 
-62:  MarvinBadSupAttachOrder.mrv
-62: 
-62: Order for an AttachmentPoint definition must be an integer in MRV file
-82: [07:09:12] -------------------------------------
-82: [07:09:12]     Test Reaction DifferenceFingerprint
-62: Test
-62: 
-62:  MarvinBadSupAttachAtom.mrv
-62: 
-62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-62: Test
-62: 
-62:  MarvinBadSupAttachAtom.mrv
-62: 
-62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-62: Test
-62: 
-62:  MarvinBadSupAttachAtom.mrv
-62: 
-62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
- 71/222 Test  #82: testReactionFingerprints ...............   Passed    0.04 sec
-test 83
-        Start  83: testEnumeration
-
-83: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
-83: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-83: Test timeout computed to be: 1500
-81: [07:09:12] atom 0 in product 0 has multiple charge specifications.
-81:  mass: 15.0001
-81: Oc1ccccn1
-81: Oc1ccc[nH]1
-62: Test
-62: 
-62:  MarvinBadSupMissingAttachBond.mrv
-62: 
-62: No attachment point found for bond to the condensed atom in a superatomSgroup
-62: Test
-62: 
-62:  MarvinBadSupMissingAttachOrder.mrv
-62: 
-62: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: ([C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: [C:2])
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
-81: [07:09:12] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-81: [07:09:12] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-81: [07:09:12] reactant 2 has no mapped atoms.
-81: [07:09:12] >> Atoms within one molecule have different RXN roles.
-81: [07:09:12] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: ([C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
-81: [07:09:12] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
-81: [07:09:12] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
-81: [07:09:12] reactant 0 has no mapped atoms.
-81: [07:09:12] reactant 1 has no mapped atoms.
-81: [07:09:12] reactant 3 has no mapped atoms.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 5 found multiple times.
-81: [07:09:12] product atom-mapping number 6 found multiple times.
-81: [07:09:12] product atom-mapping number 7 found multiple times.
-81: [07:09:12] product atom-mapping number 8 found multiple times.
-81: [07:09:12] product atom-mapping number 12 found multiple times.
-81: [07:09:12] product atom-mapping number 9 found multiple times.
-81: [07:09:12] product atom-mapping number 10 found multiple times.
-81: [07:09:12] product atom-mapping number 11 found multiple times.
-81: [07:09:12] reactant 0 has no mapped atoms.
-81: [07:09:12] reactant 1 has no mapped atoms.
-81: [07:09:12] reactant 3 has no mapped atoms.
-81: [07:09:12] reactant atom-mapping number 19 found multiple times.
-81: [07:09:12] reactant atom-mapping number 25 found multiple times.
-81: [07:09:12] reactant atom-mapping number 20 found multiple times.
-81: [07:09:12] reactant atom-mapping number 21 found multiple times.
-81: [07:09:12] reactant atom-mapping number 22 found multiple times.
-81: [07:09:12] reactant atom-mapping number 23 found multiple times.
-81: [07:09:12] reactant atom-mapping number 24 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 5 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 5 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 5 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 5 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: F[C@](Cl)(Br)O[C@](F)(Cl)Br
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 4 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 4 
-81: [07:09:12] product atom-mapping number 3 found multiple times.
-81: [07:09:12] product atom-mapping number 2 found multiple times.
-81: [07:09:12] product atom-mapping number 1 found multiple times.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 4 
-81: [07:09:12] product atom-mapping number 6 not found in reactants.
-81: [07:09:12] product atom-mapping number 7 not found in reactants.
-81: [07:09:12] product atom-mapping number 8 not found in reactants.
-81: [07:09:12] product atom-mapping number 7 not found in reactants.
-81: [07:09:12] product atom-mapping number 8 not found in reactants.
-81: [07:09:12] product atom-mapping number 9 not found in reactants.
-81: [07:09:12] product atom-mapping number 10 not found in reactants.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 6 
-81: [07:09:12] product atom-mapping number 7 not found in reactants.
-81: [07:09:12] product atom-mapping number 8 not found in reactants.
-81: [07:09:12] product atom-mapping number 9 not found in reactants.
-81: [07:09:12] product atom-mapping number 10 not found in reactants.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 6 
-81: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
-81: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
-80: Randomness seeded to: 2536362371
-80: ===============================================================================
-80: All tests passed (9408 assertions in 38 test cases)
-80: 
- 72/222 Test  #80: testGenericGroups ......................   Passed    0.19 sec
-test 84
-        Start  84: rxnTestCatch
-
-84: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
-84: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-84: Test timeout computed to be: 1500
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
-83: 30000000 30000000
-81: [07:09:12] product atom-mapping number 17 not found in reactants.
-81: [07:09:12] product atom-mapping number 18 not found in reactants.
-81: [07:09:12] mapped atoms in the reactants were not mapped in the products.
-81:   unmapped numbers are: 12 
-62: Test
-62: 
-62:  marvin03.mrv
-62: 
-62: Test
-62: 
-62:  AlexRxn.mrv
-62: 
-62: Test
-62: 
-62:  BadReactionSign.mrv
-62: 
-62: Test
-62: 
-62:  bondArray_node.mrv
-62: 
-62: Test
-62: 
-62:  marvin03.mrv
-62: 
-62: Test
-62: 
-62:  marvin04.mrv
-62: 
-62: Test
-62: 
-62:  marvin08.mrv
-62: 
-62: Test
-62: 
-62:  marvin09.mrv
-62: 
-62: Test
-62: 
-62:  marvin11.mrv
-62: 
-62: Test
-62: 
-62:  marvin05.mrv
-62: 
-62: Test
-62: 
-62:  EmptyRxn.mrv
-62: 
-62: [07:09:12] initialization failed
-84: Randomness seeded to: 213676517
-84: [07:09:12] atom 0 in product 0 has multiple charge specifications.
-81: [07:09:12] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-81: [07:09:12] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-81: 
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 34
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 36
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 38
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 40
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 42
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 87
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 89
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 91
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 93
-84: [07:09:12] Found a SCD/SED line with missing/empty SDT specification at line 95
-81: [07:09:12] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
-84: [07:09:12] mapped atoms in the reactants were not mapped in the products.
+75: [03:13:06] Incomplete atom labelling, cannot make bond
+75: [03:13:06] Incomplete atom labelling, cannot make bond
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 34
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 36
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 38
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 40
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 42
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 87
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 89
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 91
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 93
+84: [03:13:06] Found a SCD/SED line with missing/empty SDT specification at line 95
+84: [03:13:06] mapped atoms in the reactants were not mapped in the products.
 84:   unmapped numbers are: 2 
-81: -------------
-84: [07:09:12] mapped atoms in the reactants were not mapped in the products.
+84: [03:13:06] mapped atoms in the reactants were not mapped in the products.
 84:   unmapped numbers are: 2 
-81: CCOc1ccccc1
-84: [07:09:12] SMARTS Parse Error: unclosed ring for input: 'CC1'
-84: [07:09:12] SMILES Parse Error: unclosed ring for input: 'CC1'
-84: [07:09:12] mapped atoms in the reactants were not mapped in the products.
+84: [03:13:06] SMARTS Parse Error: unclosed ring for input: 'CC1'
+84: [03:13:06] SMILES Parse Error: unclosed ring for input: 'CC1'
+84: [03:13:06] mapped atoms in the reactants were not mapped in the products.
 84:   unmapped numbers are: 2 
-84: [07:09:12] product atom-mapping number 2 not found in reactants.
-84: [07:09:12] mapped atoms in the reactants were not mapped in the products.
+84: [03:13:06] product atom-mapping number 2 not found in reactants.
+84: [03:13:06] mapped atoms in the reactants were not mapped in the products.
 84:   unmapped numbers are: 2 
-84: [07:09:12] product atom-mapping number 2 not found in reactants.
-84: [07:09:12]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+84: [03:13:06] product atom-mapping number 2 not found in reactants.
+81: [03:13:06] product atom-mapping number 7 not found in reactants.
+81: [03:13:06] product atom-mapping number 8 not found in reactants.
+81: [03:13:06] product atom-mapping number 9 not found in reactants.
+81: [03:13:06] product atom-mapping number 10 not found in reactants.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 6 
+84: [03:13:06]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
 84: ===============================================================================
 84: All tests passed (568 assertions in 20 test cases)
 84: 
- 73/222 Test  #84: rxnTestCatch ...........................   Passed    0.08 sec
+80: Randomness seeded to: 3220192236
+80: ===============================================================================
+80: All tests passed (9408 assertions in 38 test cases)
+80: 
+ 73/222 Test  #80: testGenericGroups ......................   Passed    0.40 sec
 test 85
         Start  85: pyChemReactions
 
 85: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
 85: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 85: Test timeout computed to be: 1500
-81: [07:09:12] reactant 0 has no mapped atoms.
-81: [07:09:12] product 0 has no mapped atoms.
-81: [07:09:12] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
-62: Test
-62: 
-62:  RxnNoCoords.mrv
-62: 
-62: Test
-62: 
-62:  mrvValenceZero.mrv
-62: 
-62: Test
-62: 
-62:  condition_coordinates_mpoint.mrv
-62: 
-62: Test
-62: 
-62:  marvin01.mrv
-62: 
-62: Test
-62: 
-62:  aspirineSynthesisWithAttributes.mrv
-62: 
-62: Test
-62: 
-62:  marvin01.mrv
-62: 
-62: Test
-62: 
-62:  NewChiralTest
-62: 
-62: Test
-62: 
-62:  NewChiralTest
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral
-62: 
-62: Test
-62: 
-62:  NewChiralTestNoChiral
-62: 
-62: Test
-62: 
-62:  NewChiralTest2
-62: 
-62: Test
-62: 
-62:  NewChiralTest2
-62: 
-62: Test
-62: 
-62:  NewChiralTest2AllChiral
-62: 
-62: Test
-62: 
-62:  NewChiralTest2AllChiral
-62: 
-62: Test
-62: 
-62:  DoubleBondChain
-62: 
-62: Test
-62: 
-62:  Na_Mg_Al_OH
-62: 
-62: Test
-62: 
-62:  Pb
-62: 
-62: Test
-62: 
-62:  O_Mg_Si
-62: 
-62: Test
-62: 
-62:  SquiggleBond
-62: 
-62: Test
-62: 
-62:  BigMacrocycle
-62: 
-62: Test
-62: 
-62:  Smiles1
-62: 
-79: Randomness seeded to: 2705682867
-79: ===============================================================================
-79: All tests passed (143 assertions in 7 test cases)
-79: 
- 74/222 Test  #62: testMrvToMol ...........................   Passed    1.47 sec
+ 74/222 Test  #84: rxnTestCatch ...........................   Passed    0.09 sec
 test 86
         Start  86: pyChemReactionEnumerations
 
 86: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
 86: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 86: Test timeout computed to be: 1500
- 75/222 Test  #79: substructTestCatch .....................   Passed    0.50 sec
- 76/222 Test  #81: testReaction ...........................   Passed    0.34 sec
+63: [03:13:06] bond with order 0 found on line 7. This is not part of the MDL specification.
+75: [03:13:06] Incomplete atom labelling, cannot make bond
+81: [03:13:06] product atom-mapping number 7 not found in reactants.
+81: [03:13:06] product atom-mapping number 8 not found in reactants.
+81: [03:13:06] product atom-mapping number 9 not found in reactants.
+81: [03:13:06] product atom-mapping number 10 not found in reactants.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 6 
+72: [03:13:06] ERROR: molecules without atoms cannot be exported to Maestro files.
+72: [03:13:06] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+72: [03:13:06] ERROR: the mol cannot be kekulized, and will not be written to the output file.
+72: [03:13:06] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
+72: [03:13:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+72: [03:13:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
+81: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
+72: [03:13:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+72: [03:13:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+72: ===============================================================================
+72: All tests passed (1311 assertions in 87 test cases)
+72: 
+ 75/222 Test  #72: fileParsersCatchTest ...................   Passed    1.04 sec
 test 87
         Start  87: pyChemReactionSanitize
 
 87: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
 87: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 87: Test timeout computed to be: 1500
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
+81: [03:13:06] product atom-mapping number 17 not found in reactants.
+81: [03:13:06] product atom-mapping number 18 not found in reactants.
+81: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+81:   unmapped numbers are: 12 
+81: [03:13:06] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+81: [03:13:06] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+81: 
+81: [03:13:06] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
+81: -------------
+75: [03:13:06] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+81: CCOc1ccccc1
+75: [03:13:06] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+75: [03:13:06] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
+75: [03:13:06] Failed to parse XML fragment 5 node: b attribute: Order: 5
+75: ===============================================================================
+75: All tests passed (252 assertions in 4 test cases)
+75: 
+ 76/222 Test  #75: cdxmlParserCatchTest ...................   Passed    0.91 sec
 test 88
         Start  88: testChemTransforms
 
 88: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
 88: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
 88: Test timeout computed to be: 1500
-11: ..................
-11: ----------------------------------------------------------------------
-11: Ran 18 tests in 2.202s
-11: 
-11: OK
 88: 1 smi: CC
 88: 1 smi: CC
 88: 2 smi: CCO[C@H](N)P
@@ -16019,18 +15447,46 @@
 88: replaceSub smi1:CCNCC
 88: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
 88: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
- 77/222 Test  #11: pyBV ...................................   Passed    2.87 sec
+63: [03:13:06] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+63: [03:13:06] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+63: [03:13:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [03:13:06] reactant 0 has no mapped atoms.
+81: [03:13:06] product 0 has no mapped atoms.
+81: [03:13:06] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
+88: [03:13:06] SMARTS Parse Error: syntax error while parsing: bar
+88: [03:13:06] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
+63: generating smiles
+63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+63: converting back
+63: check isomorphism
+ 77/222 Test  #81: testReaction ...........................   Passed    0.60 sec
 test 89
         Start  89: chemTransformsTestCatch
 
 89: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
 89: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
 89: Test timeout computed to be: 1500
-88: [07:09:13] SMARTS Parse Error: syntax error while parsing: bar
-88: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
-89: Randomness seeded to: 3563023738
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] 
+ 78/222 Test  #88: testChemTransforms .....................   Passed    0.10 sec
+test 90
+        Start  90: tautomerQueryTestCatch
+
+90: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
+90: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
+90: Test timeout computed to be: 1500
+90: Randomness seeded to: 3575428017
+90: ===============================================================================
+90: All tests passed (93 assertions in 13 test cases)
+90: 
+ 79/222 Test  #90: tautomerQueryTestCatch .................   Passed    0.11 sec
+test 91
+        Start  91: pyTautomerQuery
+
+91: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
+91: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
+91: Test timeout computed to be: 1500
+89: Randomness seeded to: 1750201017
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16039,8 +15495,8 @@
 89: Failed Expression: !bond.b
 89: ****
 89: 
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] 
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16049,8 +15505,8 @@
 89: Failed Expression: !bond.b
 89: ****
 89: 
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] 
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16059,10 +15515,10 @@
 89: Failed Expression: !bond.b
 89: ****
 89: 
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] 
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16071,8 +15527,8 @@
 89: Failed Expression: !bond.b
 89: ****
 89: 
-89: [07:09:13] Incomplete atom labelling, cannot make bond
-89: [07:09:13] 
+89: [03:13:06] Incomplete atom labelling, cannot make bond
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16081,14 +15537,7 @@
 89: Failed Expression: !bond.b
 89: ****
 89: 
- 78/222 Test  #88: testChemTransforms .....................   Passed    0.12 sec
-test 90
-        Start  90: tautomerQueryTestCatch
-
-90: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
-90: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
-90: Test timeout computed to be: 1500
-89: [07:09:13] 
+89: [03:13:06] 
 89: 
 89: ****
 89: Invariant Violation
@@ -16100,46 +15549,13 @@
 89: ===============================================================================
 89: All tests passed (667 assertions in 7 test cases)
 89: 
- 79/222 Test  #89: chemTransformsTestCatch ................   Passed    0.07 sec
-test 91
-        Start  91: pyTautomerQuery
-
-91: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
-91: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
-91: Test timeout computed to be: 1500
-25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-85: [07:09:13]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-90: Randomness seeded to: 2245751952
-90: ===============================================================================
-90: All tests passed (93 assertions in 13 test cases)
-90: 
- 80/222 Test  #90: tautomerQueryTestCatch .................   Passed    0.11 sec
+ 80/222 Test  #89: chemTransformsTestCatch ................   Passed    0.20 sec
 test 92
         Start  92: testSubgraphs1
 
 92: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
 92: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
 92: Test timeout computed to be: 1500
-85: [07:09:13]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-85: .[07:09:13] 
-85: 
-85: ****
-85: Pre-condition Violation
-85: getNumImplicitHs() called without preceding call to calcImplicitValence()
-85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp
-85: Failed Expression: d_implicitValence > -1
-85: ****
-85: 
-85: [07:09:13] 
-85: 
-85: ****
-85: Pre-condition Violation
-85: getNumImplicitHs() called without preceding call to calcImplicitValence()
-85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp
-85: Failed Expression: d_implicitValence > -1
-85: ****
-85: 
-25: All 191 tests passed
 92: -----------------------
 92:  Subgraph retrieval
 92: Finished
@@ -16148,298 +15564,53 @@
 92: Finished
 92: -----------------------
 92:  testSubgraphs2
-85: .......[07:09:13] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-85: [07:09:13] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-85: [07:09:13] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-85: [07:09:13] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-85: .[07:09:13] product atom-mapping number 1 found multiple times.
-85: [07:09:13] product atom-mapping number 1 found multiple times.
-85: ................[07:09:13] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 3 
-85: [07:09:13] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 3 
-86: [07:09:13] == testCartesianProduct
-85: .[07:09:13] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 3 
- 81/222 Test  #37: hanoiTest ..............................   Passed    2.33 sec
-test 93
-        Start  93: testSubgraphs2
-
-93: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
-93: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-93: Test timeout computed to be: 1500
-85: ..[07:09:13] reactant 2 has no mapped atoms.
-85: [07:09:13] reactant 2 has no mapped atoms.
-85: [07:09:13] product 1 has no mapped atoms.
-92: Finished
-92: -----------------------
-92:  Path retrieval
-92: Finished
-92: -----------------------
-92:  Path retrieval2
-92: Finished
-92: -----------------------
-92:  Unique Subgraph retrieval
-92: Finished
-92: -----------------------
-92:  testUniqueSubgraphs2
-86: .[07:09:13] == testEnumerateLibrary
-85: ........[07:09:13] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
-85: [07:09:13] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
-85: .[07:09:13] reactant atom-mapping number 1 found multiple times.
-85: [07:09:13] product atom-mapping number 2 not found in reactants.
-85: [07:09:13] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 4 
-85: [07:09:13] product atom-mapping number 5 not found in reactants.
-93: -----------------------
-93:  Test1: pathToSubmol
-86: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
-86:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
-86: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-93: Finished
-93: -----------------------
-93:  Test2: Atom Environments
-93: Finished
-93: -----------------------
-93: Test 3: Atom Environments (Extension)
-93: Finished
-93: -----------------------
-93:  Testing github Issue103: stereochemistry and pathToSubmol
-93: Finished
-93: -----------------------
-93:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
-93: Finished
- 82/222 Test  #93: testSubgraphs2 .........................   Passed    0.02 sec
-test 94
-        Start  94: subgraphsCatch
-
-94: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
-94: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-94: Test timeout computed to be: 1500
-25: 
-25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
-85: ........./build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
-85:   png = open(fname, 'rb').read()
-85: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-94: Randomness seeded to: 982309589
-94: ---------
-94: ===============================================================================
-94: All tests passed (11 assertions in 1 test case)
-94: 
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 34
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 36
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 38
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 40
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 42
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 87
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 89
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 91
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 93
-85: [07:09:13] Found a SCD/SED line with missing/empty SDT specification at line 95
- 83/222 Test  #94: subgraphsCatch .........................   Passed    0.02 sec
-test 95
-        Start  95: filterCatalogTest
-
-95: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
-95: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
-95: Test timeout computed to be: 1500
-86: ..[07:09:13] == testRGroupState
-86: .[07:09:13] == testRandomEnumerateAllBBsLibrary
-86: ** [1, 1]
-86: ** [0, 2]
-86: ** [1, 0]
-86: .[07:09:13] == testRandomEnumerateLibrary
-86: .[07:09:13] == testRandomSample
-85: ..[07:09:13] SMARTS Parse Error: syntax error while parsing: boromicacid
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-86: .[07:09:13] == testRandomSampleAllBBs
-85: [07:09:13] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-85: [07:09:13] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-85: [07:09:13] reaction has no reactants
-85: [07:09:13] reaction has no products
-85: [07:09:13] initialization failed
-85: [07:09:13] reaction has no reactants
-85: [07:09:13] reaction has no products
-92: Finished
-92: -----------------------
-92:  testRootedSubgraphs
-92: Finished
-92: -----------------------
-92:  testRootedPaths
-92: Finished
-86: .[07:09:13]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-86: [07:09:13]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-86: .[07:09:13] == testRemoveBadMatches
-86: .[07:09:13] == testTimings
- 84/222 Test  #92: testSubgraphs1 .........................   Passed    0.12 sec
-test 96
-        Start  96: pyFilterCatalog
-
-96: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
-96: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
-96: Test timeout computed to be: 1500
-85: .[07:09:13] SMARTS Parse Error: syntax error while parsing: boromicacid
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-85: [07:09:13] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-85: [07:09:13] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-85: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-85: [07:09:13] reaction has no reactants
-85: [07:09:13] reaction has no products
-85: [07:09:13] initialization failed
-85: [07:09:13] reaction has no reactants
-85: [07:09:13] reaction has no products
-85: .
-85: ----------------------------------------------------------------------
-85: Ran 50 tests in 0.136s
-85: 
-85: OK
-85: ********************************************
-85: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
-85: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7f3fad7a7c30>
-95: Warning: molecule failed filter 
-95: Warning: molecule failed filter: reason hzone_phenol_A(479)
-95: v = { 
-95: 	0,23},
-95: 	1,22},
-95: 	2,20},
-95: 	3,19},
-95: 	4,25},
-95: 	5,24},
-95: 	6,18},
-95: 	7,17},
-95: 	8,16},
-95: 	9,21},
-95: }
-95: match = { 
-95: 	0,23},
-95: 	1,22},
-95: 	2,20},
-95: 	3,19},
-95: 	4,25},
-95: 	5,24},
-95: 	6,18},
-95: 	7,17},
-95: 	8,16},
-95: 	9,21},
-95: }
-95: Warning: molecule failed filter 
-95: Warning: molecule failed filter: reason cyano_imine_B(17)
-95: v = { 
-95: 	0,11},
-95: 	1,12},
-95: 	2,13},
-95: 	3,14},
-95: 	4,15},
-95: 	5,10},
-95: 	6,9},
-95: 	7,8},
-95: 	8,7},
-95: 	9,6},
-95: 	10,5},
-95: 	11,17},
-95: 	12,16},
-95: }
-95: match = { 
-95: 	0,11},
-95: 	1,12},
-95: 	2,13},
-95: 	3,14},
-95: 	4,15},
-95: 	5,10},
-95: 	6,9},
-95: 	7,8},
-95: 	8,7},
-95: 	9,6},
-95: 	10,5},
-95: 	11,17},
-95: 	12,16},
-95: }
-95: Warning: molecule failed filter 
-95: Warning: molecule failed filter: reason keto_keto_gamma(5)
-95: v = { 
-95: 	0,0},
-95: 	1,1},
-95: 	2,2},
-95: 	3,4},
-95: 	4,5},
-95: 	5,6},
-95: 	6,7},
-95: 	7,8},
-95: 	8,9},
-95: 	9,14},
-95: 	10,15},
-95: 	11,16},
-95: }
-95: match = { 
-95: 	0,0},
-95: 	1,1},
-95: 	2,2},
-95: 	3,4},
-95: 	4,5},
-95: 	5,6},
-95: 	6,7},
-95: 	7,8},
-95: 	8,9},
-95: 	9,14},
-95: 	10,15},
-95: 	11,16},
-95: }
-91: .....
-91: ----------------------------------------------------------------------
-91: Ran 5 tests in 0.029s
-91: 
-91: OK
-87: .[07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: .[07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
+86: [03:13:06] == testCartesianProduct
+87: .[03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: .[03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
 87: ()
 87: ********************************************
 87: $RXN
@@ -16753,16 +15924,20 @@
 87: M  END
 87: 
 87: ********************************************
-87: [07:09:13] reactant 0 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] product 0 has no mapped atoms.
-87: [07:09:13] Could not find RLabel mapping for atom: 0 in template: 1
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
-87: [07:09:13] reactant 1 has no mapped atoms.
+87: [03:13:06] reactant 0 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] product 0 has no mapped atoms.
+87: [03:13:06] Could not find RLabel mapping for atom: 0 in template: 1
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+87: [03:13:06] reactant 1 has no mapped atoms.
+86: .[03:13:06] == testEnumerateLibrary
+86: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
+86:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
+86: ResourceWarning: Enable tracemalloc to get the object allocation traceback
 87: ..
 87: ----------------------------------------------------------------------
-87: Ran 4 tests in 0.029s
+87: Ran 4 tests in 0.015s
 87: 
 87: OK
 87: $RXN
@@ -16861,98 +16036,332 @@
 87: M  END
 87: 
 87: $RXN Failed
- 85/222 Test  #91: pyTautomerQuery ........................   Passed    0.32 sec
+92: Finished
+92: -----------------------
+92:  Path retrieval
+92: Finished
+92: -----------------------
+92:  Path retrieval2
+92: Finished
+92: -----------------------
+92:  Unique Subgraph retrieval
+92: Finished
+92: -----------------------
+92:  testUniqueSubgraphs2
+85: [03:13:06]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+85: [03:13:06]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+85: .[03:13:06] 
+85: 
+85: ****
+85: Pre-condition Violation
+85: getNumImplicitHs() called without preceding call to calcImplicitValence()
+85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp
+85: Failed Expression: d_implicitValence > -1
+85: ****
+85: 
+85: [03:13:06] 
+85: 
+85: ****
+85: Pre-condition Violation
+85: getNumImplicitHs() called without preceding call to calcImplicitValence()
+85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp
+85: Failed Expression: d_implicitValence > -1
+85: ****
+85: 
+86: ..[03:13:06] == testRGroupState
+86: .[03:13:06] == testRandomEnumerateAllBBsLibrary
+86: ** [1, 1]
+86: ** [0, 2]
+86: ** [1, 0]
+86: .[03:13:06] == testRandomEnumerateLibrary
+85: .......[03:13:06] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+85: [03:13:06] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+85: [03:13:06] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+85: [03:13:06] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+85: .[03:13:06] product atom-mapping number 1 found multiple times.
+85: [03:13:06] product atom-mapping number 1 found multiple times.
+86: .[03:13:06] == testRandomSample
+85: ................[03:13:06] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 3 
+85: [03:13:06] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 3 
+ 81/222 Test  #87: pyChemReactionSanitize .................   Passed    0.53 sec
+test 93
+        Start  93: testSubgraphs2
+
+93: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
+93: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+93: Test timeout computed to be: 1500
+86: .[03:13:06] == testRandomSampleAllBBs
+86: .[03:13:06]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+86: [03:13:07]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+86: .[03:13:07] == testRemoveBadMatches
+86: .[03:13:07] == testTimings
+25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+93: -----------------------
+93:  Test1: pathToSubmol
+93: Finished
+93: -----------------------
+93:  Test2: Atom Environments
+93: Finished
+93: -----------------------
+93: Test 3: Atom Environments (Extension)
+93: Finished
+93: -----------------------
+93:  Testing github Issue103: stereochemistry and pathToSubmol
+93: Finished
+93: -----------------------
+93:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
+93: Finished
+ 82/222 Test  #93: testSubgraphs2 .........................   Passed    0.04 sec
+test 94
+        Start  94: subgraphsCatch
+
+94: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
+94: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+94: Test timeout computed to be: 1500
+91: .....
+91: ----------------------------------------------------------------------
+91: Ran 5 tests in 0.041s
+91: 
+91: OK
+92: Finished
+92: -----------------------
+92:  testRootedSubgraphs
+92: Finished
+92: -----------------------
+92:  testRootedPaths
+92: Finished
+ 83/222 Test  #92: testSubgraphs1 .........................   Passed    0.19 sec
+test 95
+        Start  95: filterCatalogTest
+
+95: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
+95: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
+95: Test timeout computed to be: 1500
+ 84/222 Test  #91: pyTautomerQuery ........................   Passed    0.28 sec
+test 96
+        Start  96: pyFilterCatalog
+
+96: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
+96: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
+96: Test timeout computed to be: 1500
+25: All 191 tests passed
+94: Randomness seeded to: 2697410863
+94: ---------
+94: ===============================================================================
+94: All tests passed (11 assertions in 1 test case)
+94: 
+ 85/222 Test  #94: subgraphsCatch .........................   Passed    0.13 sec
 test 97
         Start  97: testFragCatalog
 
 97: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
 97: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog
 97: Test timeout computed to be: 1500
- 86/222 Test  #85: pyChemReactions ........................   Passed    0.59 sec
+95: Warning: molecule failed filter 
+95: Warning: molecule failed filter: reason hzone_phenol_A(479)
+95: v = { 
+95: 	0,23},
+95: 	1,22},
+95: 	2,20},
+95: 	3,19},
+95: 	4,25},
+95: 	5,24},
+95: 	6,18},
+95: 	7,17},
+95: 	8,16},
+95: 	9,21},
+95: }
+95: match = { 
+95: 	0,23},
+95: 	1,22},
+95: 	2,20},
+95: 	3,19},
+95: 	4,25},
+95: 	5,24},
+95: 	6,18},
+95: 	7,17},
+95: 	8,16},
+95: 	9,21},
+95: }
+95: Warning: molecule failed filter 
+95: Warning: molecule failed filter: reason cyano_imine_B(17)
+95: v = { 
+95: 	0,11},
+95: 	1,12},
+95: 	2,13},
+95: 	3,14},
+95: 	4,15},
+95: 	5,10},
+95: 	6,9},
+95: 	7,8},
+95: 	8,7},
+95: 	9,6},
+95: 	10,5},
+95: 	11,17},
+95: 	12,16},
+95: }
+95: match = { 
+95: 	0,11},
+95: 	1,12},
+95: 	2,13},
+95: 	3,14},
+95: 	4,15},
+95: 	5,10},
+95: 	6,9},
+95: 	7,8},
+95: 	8,7},
+95: 	9,6},
+95: 	10,5},
+95: 	11,17},
+95: 	12,16},
+95: }
+85: .[03:13:07] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 3 
+85: ..[03:13:07] reactant 2 has no mapped atoms.
+85: [03:13:07] reactant 2 has no mapped atoms.
+85: [03:13:07] product 1 has no mapped atoms.
+95: Warning: molecule failed filter 
+95: Warning: molecule failed filter: reason keto_keto_gamma(5)
+95: v = { 
+95: 	0,0},
+95: 	1,1},
+95: 	2,2},
+95: 	3,4},
+95: 	4,5},
+95: 	5,6},
+95: 	6,7},
+95: 	7,8},
+95: 	8,9},
+95: 	9,14},
+95: 	10,15},
+95: 	11,16},
+95: }
+95: match = { 
+95: 	0,0},
+95: 	1,1},
+95: 	2,2},
+95: 	3,4},
+95: 	4,5},
+95: 	5,6},
+95: 	6,7},
+95: 	7,8},
+95: 	8,9},
+95: 	9,14},
+95: 	10,15},
+95: 	11,16},
+95: }
+85: ........[03:13:07] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
+85: [03:13:07] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
+85: .[03:13:07] reactant atom-mapping number 1 found multiple times.
+85: [03:13:07] product atom-mapping number 2 not found in reactants.
+85: [03:13:07] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 4 
+85: [03:13:07] product atom-mapping number 5 not found in reactants.
+25: 
+25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
+85: ........./build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
+85:   png = open(fname, 'rb').read()
+85: ResourceWarning: Enable tracemalloc to get the object allocation traceback
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 34
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 36
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 38
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 40
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 42
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 87
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 89
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 91
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 93
+85: [03:13:07] Found a SCD/SED line with missing/empty SDT specification at line 95
+63: [03:13:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+97:  21
+ 86/222 Test  #95: filterCatalogTest ......................   Passed    0.20 sec
 test 98
         Start  98: pyFragCatalog
 
 98: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
 98: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
 98: Test timeout computed to be: 1500
-97:  21
- 87/222 Test  #87: pyChemReactionSanitize .................   Passed    0.52 sec
+85: ..[03:13:07] SMARTS Parse Error: syntax error while parsing: boromicacid
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+85: [03:13:07] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+85: [03:13:07] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+85: [03:13:07] reaction has no reactants
+85: [03:13:07] reaction has no products
+85: [03:13:07] initialization failed
+85: [03:13:07] reaction has no reactants
+85: [03:13:07] reaction has no products
+63: [03:13:07]  deprecated group abbreviation ignored on line 24
+85: .[03:13:07] SMARTS Parse Error: syntax error while parsing: boromicacid
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+85: [03:13:07] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+85: [03:13:07] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+85: [03:13:07] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+85: [03:13:07] reaction has no reactants
+85: [03:13:07] reaction has no products
+85: [03:13:07] initialization failed
+85: [03:13:07] reaction has no reactants
+85: [03:13:07] reaction has no products
+85: .
+85: ----------------------------------------------------------------------
+85: Ran 50 tests in 0.361s
+85: 
+85: OK
+85: ********************************************
+85: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
+85: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7fe082167c30>
+63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+63: [03:13:07] 
+63: 
+63: ****
+63: Post-condition Violation
+63: Element 'Mv' not found
+63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+63: Failed Expression: anum > -1
+63: ****
+63: 
+ 87/222 Test  #85: pyChemReactions ........................   Passed    0.92 sec
 test 99
         Start  99: testDescriptors
 
 99: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
 99: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 99: Test timeout computed to be: 1500
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Crippen parameter acquisition.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Crippen calculation.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Issue262: problems with Crippen calculation from pickles.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test AMW calculation.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Exact MW calculation.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Labute ASA descriptors.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test TPSA descriptors.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Lipinski parameters.
- 88/222 Test  #95: filterCatalogTest ......................   Passed    0.27 sec
-test 100
-        Start 100: testAUTOCORR2D
-
-100: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
-100: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-100: Test timeout computed to be: 1500
-100: [07:09:13] ----------------------------
-100: start test autocorr2D
-63: [07:09:13] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-63: [07:09:13] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test VSA descriptors.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test molecular formula calculation.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Issue 3415534.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test Issue3433771: Bad definition for Crippen atom type O11.
-99: [07:09:13]   done
-99: [07:09:13] -------------------------------------
-99: [07:09:13]     Test multithreading
-99: reading molecules
-99: processing
-99:  launch :0
-99:  launch :1
-99:  launch :2
-99:  launch :3
-63: ----------------------------------
-63: ----------------------------------
-63: [07:09:13] 
-63: 
-63: ****
-63: Pre-condition Violation
-63: rlabel out of range for MDL files
-63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
-63: Failed Expression: rlabel >= 0 && rlabel < 100
-63: ****
-63: 
-63: [07:09:13] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Crippen parameter acquisition.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Crippen calculation.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Issue262: problems with Crippen calculation from pickles.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test AMW calculation.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Exact MW calculation.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Labute ASA descriptors.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test TPSA descriptors.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Lipinski parameters.
 86: .
 86: ----------------------------------------------------------------------
-86: Ran 11 tests in 0.526s
+86: Ran 11 tests in 0.536s
 86: 
 86: OK
 86: True
@@ -16965,169 +16374,380 @@
 86: 0 10 out of 10
 86: 1 5 out of 5
 86: 2 6 out of 6
-86: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7fb56b217d30> Skipped 10000000 in 0.04519772529602051 seconds
-86: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7fb56b2285e0> Skipped 10000000 in 0.21900653839111328 seconds
-86: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7fb56b228680> Skipped 10000000 in 0.10271525382995605 seconds
+86: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7f13d233bec0> Skipped 10000000 in 0.04659223556518555 seconds
+86: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7f13d233bc40> Skipped 10000000 in 0.24219393730163574 seconds
+86: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7f13d233bb50> Skipped 10000000 in 0.09632611274719238 seconds
+ 88/222 Test  #86: pyChemReactionEnumerations .............   Passed    1.03 sec
+test 100
+        Start 100: testAUTOCORR2D
+
+100: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
+100: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+100: Test timeout computed to be: 1500
+100: [03:13:07] ----------------------------
+100: start test autocorr2D
+62: Test
+62: 
+62:  lostStereoAnd.sdf
+62: 
+62: Test
+62: 
+62:  DoubleBondChain.sdf
+62: 
+62: Test
+62: 
+62:  UnitsError.sdf
+62: 
+62: Test
+62: 
+62:  StarAtom.sdf
+62: 
+62: Test
+62: 
+62:  nonProprietary.mol
+62: 
+62: Test
+62: 
+62:  ChiralTest.sdf
+62: 
+62: Test
+62: 
+62:  TestBond1.mol
+62: 
+62: Test
+62: 
+62:  Sgroup_MUL_ParentInMiddle.sdf
+62: 
+62: Test
+62: 
+62:  Cubane.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTest.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTest.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTestAllChiral.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTestAllChiral.mrv
+62: 
+62: Test
+62: 
+62:  lostStereoAnd.mrv
+62: 
+62: Test
+62: 
+62:  DoubleBondChain.mrv
+62: 
+62: Test
+62: 
+62:  WigglyAndCrossed.mrv
+62: 
+62: Test
+62: 
+62:  BondTypes.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSGroupSUP_MUL.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupCOP_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupDAT_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupMULTICENTER_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupMUL_MUL.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupMUL_MUL2.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupMUL_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSRU_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSUPEXP_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSUPEXP_SUP2.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSUP_MULTICENTER.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSUP_SUP.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroupSUP_SUP2.mrv
+62: 
+62: Test
+62: 
+62:  RgroupBad.mrv
+62: 
+62: Test
+62: 
+62:  valenceLessThanDrawn.mrv
+62: 
+62: Test
+62: 
+62:  data_sgroup_no_fieldname.mrv
+62: 
+62: Test
+62: 
+62:  data_sgroup_empty_field_data.mrv
+62: 
+62: Test
+62: 
+62:  radical_value.mrv
+62: 
+62: Test
+62: 
+62:  emptyOneLineAtomList.mrv
+62: 
+62: Test
+62: 
+62:  mrvValence_value.mrv
+62: 
+62: Test
+62: 
+62:  ChiralTest2.mrv
+62: 
+62: Test
+62: 
+62:  ChiralTest.mrv
+62: 
+62: Test
+62: 
+62:  SnCl2.mrv
+62: 
+62: Test
+62: 
+62:  SnH2Cl2.mrv
+62: 
+62: Test
+62: 
+62:  marvin01.mrv
+62: 
+62: Test
+62: 
+62:  marvin02.mrv
+62: 
+62: Test
+62: 
+62:  marvin07.mrv
+62: 
+62: Test
+62: 
+62:  marvin10.mrv
+62: 
+62: Test
+62: 
+62:  marvin06.mrv
+62: 
+62: Test
+62: 
+62:  marvin12.mrv
+62: 
+62: Test
+62: 
+62:  EmptyMol.mrv
+62: 
+62: Test
+62: 
+62:  Sparse.mrv
+62: 
+62: Test
+62: 
+62:  Sparse2.mrv
+62: 
+62: Test
+62: 
+62:  Sparse3.mrv
+62: 
+62: Test
+62: 
+62:  MarvinNoCoords.mrv
+62: 
+62: Test
+62: 
+62:  aspirin.mrv
+62: 
+62: Test
+62: 
+62:  MarvinStereoGroupsZeros.mrv
+62: 
+62: Test
+62: 
+62:  MarvinStereoGroupsAbs.mrv
+62: 
+62: Test
+62: 
+62:  triphenylphosphine.mrv
+62: 
+62: Test
+62: 
+62:  MarvinOldSuperGroupTest.mrv
+62: 
+62: Test
+62: 
+62:  RadicalTests.mrv
+62: 
+62: Test
+62: 
+62:  AnyBond.mrv
+62: 
+62: Test
+62: 
+62:  cisBenzene.mrv
+62: 
+62: Test
+62: 
+62:  DativeBond.mrv
+62: 
+62: Test
+62: 
+62:  MultipleSgroup.mrv
+62: 
+62: Test
+62: 
+62:  SgroupExpanded.mrv
+62: 
+62: Test
+62: 
+62:  SgroupMultAttach.mrv
+62: 
+62: Test
+62: 
+62:  MarvinMissingX2.mrv
+62: 
+62: Test
+62: 
+62:  MarvinMissingY2.mrv
+62: 
+62: Test
+62: 
+62:  DataSgroup.mrv
+62: 
+62: Test
+62: 
+62:  MulticenterSgroup.mrv
+62: 
+62: [03:13:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+62: [03:13:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test VSA descriptors.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test molecular formula calculation.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Issue 3415534.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test Issue3433771: Bad definition for Crippen atom type O11.
+99: [03:13:07]   done
+99: [03:13:07] -------------------------------------
+99: [03:13:07]     Test multithreading
+99: reading molecules
 98: .........
 98: ----------------------------------------------------------------------
-98: Ran 9 tests in 0.041s
+98: Ran 9 tests in 0.042s
 98: 
 98: OK
- 89/222 Test  #86: pyChemReactionEnumerations .............   Passed    0.85 sec
+99: processing
+99:  launch :0
+99:  launch :1
+99:  launch :2
+99:  launch :3
+ 89/222 Test  #98: pyFragCatalog ..........................   Passed    0.29 sec
 test 101
         Start 101: testATF
 
 101: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF
 101: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 101: Test timeout computed to be: 1500
-100: [07:09:13]   done
-100: [07:09:13] -------------------------------------
-100: [07:09:13]     Test Github #3806: NaNs from AUTOCORR2D descriptor
-100: [07:09:13]   done
- 90/222 Test #100: testAUTOCORR2D .........................   Passed    0.26 sec
-test 102
-        Start 102: testBCUT
-
-102: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
-102: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-102: Test timeout computed to be: 1500
- 91/222 Test #101: testATF ................................   Passed    0.02 sec
-test 103
-        Start 103: testEEM
-
-103: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
-103: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-103: Test timeout computed to be: 1500
- 92/222 Test  #98: pyFragCatalog ..........................   Passed    0.39 sec
-test 104
-        Start 104: testPBF
-
-104: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
-104: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-104: Test timeout computed to be: 1500
-102: [07:09:13] -------------------------------------
-102: [07:09:13]     Basic BCUT tests.
-102: [07:09:13]   done
-102: [07:09:13] -------------------------------------
-102: [07:09:13]     Larger BCUT tests.
-103: =>start test EEM
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: 0
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [07:09:13] -------------------------------------
-104: [07:09:13]     Basic PBF tests.
-96: .............[07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-96: [07:09:13] SMILES Parse Error: syntax error while parsing: ---
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-96: [07:09:13] dasfsadf
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:13] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-63: [07:09:13] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-97: [07:09:13] 
+62: Test
+62: 
+62:  GenericSgroup.mrv
+62: 
+62: Test
+62: 
+62:  MonomerSgroup.mrv
+62: 
+62: Test
+62: 
+62:  modification_sgroup.mrv
+62: 
+62: Test
+62: 
+62:  copolymer_sgroup.mrv
+62: 
+62: Test
+62: 
+62:  MultipleSgroupParentInMiddleOfAtomBlock.mrv
+62: 
+62: Test
+62: 
+62:  EmbeddedSgroups.mrv
+62: 
+62: Test
+62: 
+62:  marvin03.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingMolID.mrv
+62: 
+62: [03:13:07] 
+62: 
+62: ****
+62: Test Assert
+62: Expression Failed: 
+62: Violation occurred on line 309 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
+62: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr
+62: ****
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingAtomID.mrv
+62: 
+62: Expected id, elementType for an atom definition in MRV file
+97: [03:13:07] 
 97: 
 97: ****
 97: Invariant Violation
@@ -17136,7 +16756,7 @@
 97: Failed Expression: token != tokens.end()
 97: ****
 97: 
-97: [07:09:13] 
+97: [03:13:07] 
 97: 
 97: ****
 97: Invariant Violation
@@ -17145,7 +16765,7 @@
 97: Failed Expression: token != tokens.end()
 97: ****
 97: 
-97: [07:09:13] 
+97: [03:13:07] 
 97: 
 97: ****
 97: Invariant Violation
@@ -17154,240 +16774,719 @@
 97: Failed Expression: token != tokens.end()
 97: ****
 97: 
- 93/222 Test  #97: testFragCatalog ........................   Passed    0.47 sec
+ 90/222 Test  #97: testFragCatalog ........................   Passed    0.42 sec
+test 102
+        Start 102: testBCUT
+
+102: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
+102: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+102: Test timeout computed to be: 1500
+62: Test
+62: 
+62:  MarvinBadX2.mrv
+62: 
+62: The values x2 and y2 must be large floats in MRV file
+62: Test
+62: 
+62:  MarvinBadY2.mrv
+62: 
+62: The values x2 and y2 must be large floats in MRV file
+62: Test
+62: 
+62:  MarvinBadStereoGroupsAbs.mrv
+62: 
+62: Unrecognized group definition
+ 91/222 Test #101: testATF ................................   Passed    0.05 sec
+test 103
+        Start 103: testEEM
+
+103: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
+103: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+103: Test timeout computed to be: 1500
+62: Test
+62: 
+62:  MarvinBadElementType.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingBondID.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingBondAtomRefs
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingBondOrder.mrv
+62: 
+62: bond must have one of:  order, queryType, or convention in MRV File 
+62: Test
+62: 
+62:  MarvinBadMissingSruMolID.mrv
+62: 
+62: Expected a molID in MRV file
+62: Test
+62: 
+62:  MarvinBadMissingSruID.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingSruRole.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingSruAtomRef.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadMissingSruTitle.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadSruAtomRef.mrv
+62: 
+62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+102: [03:13:07] -------------------------------------
+102: [03:13:07]     Basic BCUT tests.
+62: Test
+62: 
+62:  MarvinBadSruID.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadSruRole.mrv
+62: 
+62: Test
+62: 
+62:  MarvinBadSruAtomRef.mrv
+62: 
+62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+62: Test
+62: 
+62:  MarvinBadSruAtomRef.mrv
+62: 
+62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+62: Test
+62: 
+62:  MarvinBadSruConnect.mrv
+62: 
+62: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
+102: [03:13:07]   done
+102: [03:13:07] -------------------------------------
+102: [03:13:07]     Larger BCUT tests.
+62: Test
+62: 
+62:  MarvinBadSupAttachAtom.mrv
+62: 
+62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+62: Test
+62: 
+62:  MarvinBadSupAttachBond.mrv
+62: 
+62: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
+103: =>start test EEM
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+62: Test
+62: 
+62:  MarvinBadSupAttachOrder.mrv
+62: 
+62: Order for an AttachmentPoint definition must be an integer in MRV file
+62: Test
+62: 
+62:  MarvinBadSupAttachAtom.mrv
+62: 
+62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+62: Test
+62: 
+62:  MarvinBadSupAttachAtom.mrv
+62: 
+62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+62: Test
+62: 
+62:  MarvinBadSupAttachAtom.mrv
+62: 
+62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+62: Test
+62: 
+62:  MarvinBadSupMissingAttachBond.mrv
+62: 
+62: No attachment point found for bond to the condensed atom in a superatomSgroup
+62: Test
+62: 
+62:  MarvinBadSupMissingAttachOrder.mrv
+62: 
+62: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
+103: 0
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+100: [03:13:07]   done
+100: [03:13:07] -------------------------------------
+100: [03:13:07]     Test Github #3806: NaNs from AUTOCORR2D descriptor
+100: [03:13:07]   done
+ 92/222 Test #100: testAUTOCORR2D .........................   Passed    0.22 sec
+test 104
+        Start 104: testPBF
+
+104: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
+104: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+104: Test timeout computed to be: 1500
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+96: .............[03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+104: [03:13:07] -------------------------------------
+104: [03:13:07]     Basic PBF tests.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+96: [03:13:07] SMILES Parse Error: syntax error while parsing: ---
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+96: [03:13:07] dasfsadf
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: 100
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+62: Test
+62: 
+62:  marvin03.mrv
+62: 
+62: Test
+62: 
+62:  AlexRxn.mrv
+62: 
+62: Test
+62: 
+62:  BadReactionSign.mrv
+62: 
+62: Test
+62: 
+62:  bondArray_node.mrv
+62: 
+62: Test
+62: 
+62:  marvin03.mrv
+62: 
+62: Test
+62: 
+62:  marvin04.mrv
+62: 
+62: Test
+62: 
+62:  marvin08.mrv
+62: 
+62: Test
+62: 
+62:  marvin09.mrv
+62: 
+62: Test
+62: 
+62:  marvin11.mrv
+62: 
+62: Test
+62: 
+62:  marvin05.mrv
+62: 
+62: Test
+62: 
+62:  EmptyRxn.mrv
+62: 
+62: [03:13:07] initialization failed
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: 200
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+96: .[03:13:07] SMILES Parse Error: syntax error while parsing: mydoghasfleas
+96: [03:13:07] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [03:13:07]   done
+104: [03:13:07] -------------------------------------
+104: [03:13:07]     PBF edge cases.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [03:13:07]   done
+ 93/222 Test #104: testPBF ................................   Passed    0.17 sec
 test 105
         Start 105: testRDFcustom
 
 105: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
 105: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 105: Test timeout computed to be: 1500
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:13] Empty atom list: 'M  ALS   1  0 F' on line 8.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: de_DE.UTF-8
-63: [07:09:13] -------------------------------------
-63: [07:09:13]     Test multithreading Locale Switching
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-96: .[07:09:13] SMILES Parse Error: syntax error while parsing: mydoghasfleas
-96: [07:09:13] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: 100
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:13]     Test multithreading (Done)
-63: [07:09:13] -------------------------------------
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: ***************************************
-63: ***************************************
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:14] bond with order 0 found on line 7. This is not part of the MDL specification.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [07:09:14] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-63: [07:09:14] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-63: [07:09:14] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: generating smiles
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [07:09:14]   done
-104: [07:09:14] -------------------------------------
-104: [07:09:14]     PBF edge cases.
-63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-63: converting back
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [07:09:14]   done
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 94/222 Test #104: testPBF ................................   Passed    0.21 sec
-test 106
-        Start 106: testRDF
-
-106: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
-106: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-106: Test timeout computed to be: 1500
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: 200
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: check isomorphism
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: 300
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: 400
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 96: .......
 96: ----------------------------------------------------------------------
-96: Ran 21 tests in 0.507s
+96: Ran 21 tests in 0.649s
 96: 
 96: OK
 96: (Five aromatic carbons And (Not any of Five aromatic carbons))
@@ -17409,373 +17508,258 @@
 96: 1
 96: 2
 96: running
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-102: [07:09:14] -------------------------------------
-102: [07:09:14]     Test empty molecule BCUT.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 95/222 Test #102: testBCUT ...............................   Passed    0.31 sec
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [03:13:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: Elapsed time: 0.416381 s
+103: Errors:0
+103: [03:13:08] test on : 500 molecules done
+ 94/222 Test #103: testEEM ................................   Passed    0.44 sec
+test 106
+        Start 106: testRDF
+
+106: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
+106: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+106: Test timeout computed to be: 1500
+62: Test
+62: 
+62:  RxnNoCoords.mrv
+62: 
+62: Test
+62: 
+62:  mrvValenceZero.mrv
+62: 
+62: Test
+62: 
+62:  condition_coordinates_mpoint.mrv
+62: 
+62: Test
+62: 
+62:  marvin01.mrv
+62: 
+62: Test
+62: 
+62:  aspirineSynthesisWithAttributes.mrv
+62: 
+62: Test
+62: 
+62:  marvin01.mrv
+62: 
+62: Test
+62: 
+62:  NewChiralTest
+62: 
+62: Test
+62: 
+62:  NewChiralTest
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral
+62: 
+62: Test
+62: 
+62:  NewChiralTestNoChiral
+62: 
+62: Test
+62: 
+62:  NewChiralTest2
+62: 
+62: Test
+62: 
+62:  NewChiralTest2
+62: 
+62: Test
+62: 
+62:  NewChiralTest2AllChiral
+62: 
+62: Test
+62: 
+62:  NewChiralTest2AllChiral
+62: 
+62: Test
+62: 
+62:  DoubleBondChain
+62: 
+62: Test
+62: 
+62:  Na_Mg_Al_OH
+62: 
+62: Test
+62: 
+62:  Pb
+62: 
+62: Test
+62: 
+62:  O_Mg_Si
+62: 
+62: Test
+62: 
+62:  SquiggleBond
+62: 
+62: Test
+62: 
+62:  BigMacrocycle
+62: 
+62: Test
+62: 
+62:  Smiles1
+62: 
+ 95/222 Test  #62: testMrvToMol ...........................   Passed    3.31 sec
 test 107
         Start 107: testMORSE
 
 107: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
 107: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 107: Test timeout computed to be: 1500
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: 300
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 96/222 Test  #96: pyFilterCatalog ........................   Passed    0.83 sec
+ 96/222 Test  #96: pyFilterCatalog ........................   Passed    1.02 sec
 test 108
         Start 108: test3D
 
 108: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D
 108: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 108: Test timeout computed to be: 1500
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     Basic PMI tests.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: 400
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [07:09:14] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: Elapsed time: 0.46349 s
-103: Errors:0
-103: [07:09:14] test on : 500 molecules done
- 97/222 Test #103: testEEM ................................   Passed    0.49 sec
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     Basic PMI tests.
+102: [03:13:08] -------------------------------------
+102: [03:13:08]     Test empty molecule BCUT.
+ 97/222 Test #102: testBCUT ...............................   Passed    0.61 sec
 test 109
         Start 109: testWHIM
 
 109: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
 109: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 109: Test timeout computed to be: 1500
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     More PMI/NPR tests.
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     Basic NPR tests.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     More PMI/NPR tests.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     Basic NPR tests.
 105: =>start test rdf custom
-105: [07:09:14] test on : 365 molecules done
+105: [03:13:08] test on : 365 molecules done
 109: =>start test WHIM
-109: [07:09:14] test on : 365 molecules done
- 98/222 Test #109: testWHIM ...............................   Passed    0.25 sec
+109: [03:13:08] test on : 365 molecules done
+ 98/222 Test #109: testWHIM ...............................   Passed    0.31 sec
 test 110
         Start 110: testGETAWAY
 
 110: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
 110: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 110: Test timeout computed to be: 1500
-63: [07:09:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-63: [07:09:14]  deprecated group abbreviation ignored on line 24
-63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-63: [07:09:14] 
-63: 
-63: ****
-63: Post-condition Violation
-63: Element 'Mv' not found
-63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-63: Failed Expression: anum > -1
-63: ****
-63: 
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     PMI edge cases.
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     NPR edge cases.
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     3D descriptors.
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     3D descriptor edge cases.
-108: [07:09:14]   done
-108: [07:09:14] -------------------------------------
-108: [07:09:14]     Inertial shape factor.
-108: [07:09:14]   done
- 99/222 Test #108: test3D .................................   Passed    0.49 sec
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     PMI edge cases.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     NPR edge cases.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     3D descriptors.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     3D descriptor edge cases.
+108: [03:13:08]   done
+108: [03:13:08] -------------------------------------
+108: [03:13:08]     Inertial shape factor.
+108: [03:13:08]   done
+63: [03:13:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+63: [03:13:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+ 99/222 Test #108: test3D .................................   Passed    0.48 sec
 test 111
         Start 111: testAUTOCORR3D
 
@@ -17783,8 +17767,8 @@
 111: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 111: Test timeout computed to be: 1500
 106: =>start test rdf
-106: [07:09:14] test on : 365 molecules done
-100/222 Test #106: testRDF ................................   Passed    0.61 sec
+106: [03:13:08] test on : 365 molecules done
+100/222 Test #106: testRDF ................................   Passed    0.56 sec
 test 112
         Start 112: testCoulombMat
 
@@ -17793,17 +17777,19 @@
 112: Test timeout computed to be: 1500
 112: ===================== Testing CoulombMat  =======================
 112: CM test 1 mat Done
-101/222 Test #112: testCoulombMat .........................   Passed    0.05 sec
+101/222 Test #112: testCoulombMat .........................   Passed    0.03 sec
 test 113
         Start 113: descriptorsTestCatch
 
 113: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
 113: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 113: Test timeout computed to be: 1500
-113: Randomness seeded to: 3602769829
+113: Randomness seeded to: 3436326801
 113: ===============================================================================
 113: All tests passed (482 assertions in 7 test cases)
 113: 
+63: ----------------------------------
+63: ----------------------------------
 102/222 Test #113: descriptorsTestCatch ...................   Passed    0.05 sec
 test 114
         Start 114: pyMolDescriptors
@@ -17811,10 +17797,20 @@
 114: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
 114: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 114: Test timeout computed to be: 1500
+63: [03:13:08] 
+63: 
+63: ****
+63: Pre-condition Violation
+63: rlabel out of range for MDL files
+63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
+63: Failed Expression: rlabel >= 0 && rlabel < 100
+63: ****
+63: 
+63: [03:13:08] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 107: =>start test MORSE
 107: =>read file
-107: [07:09:14] test on : 365 molecules done
-103/222 Test #107: testMORSE ..............................   Passed    0.65 sec
+107: [03:13:08] test on : 365 molecules done
+103/222 Test #107: testMORSE ..............................   Passed    0.67 sec
 test 115
         Start 115: pyMolDescriptors3D
 
@@ -17822,10 +17818,10 @@
 115: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 115: Test timeout computed to be: 1500
 105: =>start test morse custom
-105: [07:09:14] test on : 365 molecules done
+105: [03:13:08] test on : 365 molecules done
 111: =>start test autocorr3D
-111: [07:09:14] test on : 365 molecules done
-104/222 Test #111: testAUTOCORR3D .........................   Passed    0.29 sec
+111: [03:13:08] test on : 365 molecules done
+104/222 Test #111: testAUTOCORR3D .........................   Passed    0.24 sec
 test 116
         Start 116: testFingerprints
 
@@ -18072,6 +18068,33 @@
 116: 
 116: -------------------
 116: 
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Issue252: Bad definitions for Crippen atom types.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of ChiVs.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of ChiNs.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of HallKierAlpha.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of Kappa1.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of Kappa2.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of Kappa3.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Crippen atom type calculations.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test ring descriptors
 116: SMI: c1[nH]c2cc(O)nc(O)c2n1
 116: Atoms:
 116: 	0 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0
@@ -18282,6 +18305,38 @@
 116: 	8 8->9 order: 12 conj?: 1 aromatic?: 1
 116: 	9 9->10 order: 1 conj?: 1 aromatic?: 0
 116: 	10 9->0 order: 12 conj?: 1 aromatic?: 1
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test other count descriptors.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test MQN
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test GitHub Issue 56.
+99: [03:13:08] WARNING: not removing hydrogen atom without neighbors
+99: [03:13:08] WARNING: not removing hydrogen atom without neighbors
+99: [03:13:08] WARNING: not removing hydrogen atom without neighbors
+99: [03:13:08] WARNING: not removing hydrogen atom without neighbors
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github92: Bad Crippen atom type for pyrrole H.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github362: order dependence  in Kier-Hall descriptors.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test calculation of spiro and bridgehead counts.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github694: ExactMolWt ignoring the mass of the electron
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Testing Properties and KitchenSink
+99: [03:13:08] ---Caught keyerror (bad property name)---
+99: [03:13:08] ---Caught stereo value error---
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test USR Descriptor
 116: 	11 8->4 order: 12 conj?: 1 aromatic?: 1
 116: 
 116: 
@@ -18315,223 +18370,139 @@
 116: 
 116: -------------------
 116: 
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Morgan Fingerprints.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Morgan Fingerprints using fromAtoms argument.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Morgan Fingerprints as bit vects.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Morgan Fingerprints with feature invariants.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test additional Morgan fingerprints options.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Atom Codes.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Atom Pairs.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Atom Pairs part 2.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Topological Torsions.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Bulk Topological Torsions.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Hashed Atom Pairs.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Hashed torsions.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Rooted Atom Pairs.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test ignoring atoms in Atom Pairs.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Rooted Topological Torsions.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test ignoring atoms in Topological Torsions.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test atom info from morgan fingerprints.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test atom info from morgan fingerprints including Info Redundant Environments.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15] -------------------------------------
-116: [07:09:15] -------------------------------------
-116: [07:09:15] -------------------------------------
-116: [07:09:15] -------------------------------------
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Atom Pairs including info about chirality.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test Topological Torsions including info about chirality.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test GitHub Issue 25: fingerprint backwards compatibility.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test GitHub Issue 151: PatternFingerprint problems
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test 3D atom pairs.
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
-116: [07:09:15]   done
-116: [07:09:15] -------------------------------------
-116: [07:09:15]     Test multithreading with the pattern FP
-116: reading molecules
-116: pass 1
-116:  launch :0
-116:  launch :1
-116:  launch :2
-116:  launch :3
-115: ........
-115: ----------------------------------------------------------------------
-115: Ran 8 tests in 0.101s
-115: 
-115: OK
-105/222 Test #115: pyMolDescriptors3D .....................   Passed    0.37 sec
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Morgan Fingerprints.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Morgan Fingerprints using fromAtoms argument.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Morgan Fingerprints as bit vects.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Morgan Fingerprints with feature invariants.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test additional Morgan fingerprints options.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Atom Codes.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Atom Pairs.
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github #1973: support P and S terms for TPSA calculation
+99: [03:13:08]   done
+99: [03:13:08] -------------------------------------
+99: [03:13:08]     Test Github #2948: Empty molecule has non-zero LabuteASA
+99: [03:13:08]   done
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Atom Pairs part 2.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Topological Torsions.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Bulk Topological Torsions.
+63: [03:13:08] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+63: [03:13:08] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+105/222 Test  #99: testDescriptors ........................   Passed    1.49 sec
 test 117
         Start 117: testMHFPFingerprint
 
 117: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
 117: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 117: Test timeout computed to be: 1500
-117: [07:09:15] -------------------------------------
-117: [07:09:15] Test MHFP fingerprint encoder initialization
-117: [07:09:15]   done
-117: [07:09:15] -------------------------------------
-117: [07:09:15] Test MHFP shingling creation
-117: [07:09:15]   done
-117: [07:09:15] -------------------------------------
-117: [07:09:15] Test MHFP hashing of string and uint arrays
-117: [07:09:15]   done
-117: [07:09:15] -------------------------------------
-117: [07:09:15] Test SECFP fingerprint functionality
-117: [07:09:15]   done
-106/222 Test #117: testMHFPFingerprint ....................   Passed    0.03 sec
+117: [03:13:08] -------------------------------------
+117: [03:13:08] Test MHFP fingerprint encoder initialization
+117: [03:13:08]   done
+117: [03:13:08] -------------------------------------
+117: [03:13:08] Test MHFP shingling creation
+117: [03:13:08]   done
+117: [03:13:08] -------------------------------------
+117: [03:13:08] Test MHFP hashing of string and uint arrays
+117: [03:13:08]   done
+117: [03:13:08] -------------------------------------
+117: [03:13:08] Test SECFP fingerprint functionality
+63: [03:13:08] Empty atom list: 'M  ALS   1  0 F' on line 8.
+117: [03:13:08]   done
+106/222 Test #117: testMHFPFingerprint ....................   Passed    0.05 sec
 test 118
         Start 118: testFingerprintGenerators
 
 118: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
 118: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 118: Test timeout computed to be: 1500
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test atom-pair fp generator
-105: =>start test AUTOCORR3D custom
-105: [07:09:15] test on : 365 molecules done
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test atom-pair fp generator with different arguments
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test atom-pair additional output
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Folded Atom Pairs.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Rooted Atom Pairs.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test ignoring atoms in Atom Pairs.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Atom Pairs including info about chirality.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Morgan Fingerprints.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test morgan fp generator
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Morgan Fingerprints using fromAtoms argument.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Morgan Fingerprints as bit vects.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Morgan Fingerprints with feature invariants.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test additional Morgan fingerprints options.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Single atoms setting radius 1 bits in Morgan fingerprints  
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test different invariant generator combinations
-116: pass 2
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Hashed Atom Pairs.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Hashed torsions.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Rooted Atom Pairs.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test ignoring atoms in Atom Pairs.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Rooted Topological Torsions.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test ignoring atoms in Topological Torsions.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test atom info from morgan fingerprints.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test atom info from morgan fingerprints including Info Redundant Environments.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08] -------------------------------------
+116: [03:13:08] -------------------------------------
+116: [03:13:08] -------------------------------------
+116: [03:13:08] -------------------------------------
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Atom Pairs including info about chirality.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test Topological Torsions including info about chirality.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test GitHub Issue 25: fingerprint backwards compatibility.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test GitHub Issue 151: PatternFingerprint problems
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test 3D atom pairs.
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
+116: [03:13:08]   done
+116: [03:13:08] -------------------------------------
+116: [03:13:08]     Test multithreading with the pattern FP
+116: reading molecules
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test atom-pair fp generator
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test atom-pair fp generator with different arguments
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
+116: pass 1
 116:  launch :0
 116:  launch :1
 116:  launch :2
 116:  launch :3
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test invariant overriding
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test RDKit fp generator
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Issue252: Bad definitions for Crippen atom types.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of ChiVs.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of ChiNs.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of HallKierAlpha.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of Kappa1.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of Kappa2.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of Kappa3.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Crippen atom type calculations.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test ring descriptors
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test other count descriptors.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test MQN
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test GitHub Issue 56.
-99: [07:09:15] WARNING: not removing hydrogen atom without neighbors
-114: .....[07:09:15] 
+114: .....[03:13:08] 
 114: 
 114: ****
 114: Pre-condition Violation
@@ -18540,41 +18511,30 @@
 114: Failed Expression: atom_props.size() == num_atoms
 114: ****
 114: 
-99: [07:09:15] WARNING: not removing hydrogen atom without neighbors
-99: [07:09:15] WARNING: not removing hydrogen atom without neighbors
-99: [07:09:15] WARNING: not removing hydrogen atom without neighbors
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github92: Bad Crippen atom type for pyrrole H.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github362: order dependence  in Kier-Hall descriptors.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test calculation of spiro and bridgehead counts.
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github694: ExactMolWt ignoring the mass of the electron
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Testing Properties and KitchenSink
-99: [07:09:15] ---Caught keyerror (bad property name)---
-99: [07:09:15] ---Caught stereo value error---
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test USR Descriptor
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github #1973: support P and S terms for TPSA calculation
-99: [07:09:15]   done
-99: [07:09:15] -------------------------------------
-99: [07:09:15]     Test Github #2948: Empty molecule has non-zero LabuteASA
-99: [07:09:15]   done
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test atom-pair additional output
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Folded Atom Pairs.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Rooted Atom Pairs.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test ignoring atoms in Atom Pairs.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Atom Pairs including info about chirality.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Morgan Fingerprints.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test morgan fp generator
 114: .........................
 114: ----------------------------------------------------------------------
-114: Ran 30 tests in 0.039s
+114: Ran 30 tests in 0.022s
 114: 
 114: OK
 114: exactmw 78.046950192
@@ -18622,115 +18582,184 @@
 114: Phi 0.9130327103921437
 114: exactmw 78.046950192
 114: lipinskiHBA 0.0
-107/222 Test  #99: testDescriptors ........................   Passed    1.87 sec
+105: =>start test AUTOCORR3D custom
+105: [03:13:08] test on : 365 molecules done
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Morgan Fingerprints using fromAtoms argument.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Morgan Fingerprints as bit vects.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test Morgan Fingerprints with feature invariants.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test additional Morgan fingerprints options.
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08]     Single atoms setting radius 1 bits in Morgan fingerprints  
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test different invariant generator combinations
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test invariant overriding
+118: [03:13:08]   done
+118: [03:13:08] -------------------------------------
+118: [03:13:08] Test RDKit fp generator
+107/222 Test #114: pyMolDescriptors .......................   Passed    0.31 sec
 test 119
         Start 119: fpTestCatch
 
 119: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
 119: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 119: Test timeout computed to be: 1500
-105: =>start test 2 WHIM custom
-105: [07:09:15] test on : 365 molecules done
-119: Randomness seeded to: 250645264
+63: de_DE.UTF-8
+63: [03:13:08] -------------------------------------
+63: [03:13:08]     Test multithreading Locale Switching
+63: [03:13:09]     Test multithreading (Done)
+63: [03:13:09] -------------------------------------
+63: ***************************************
+63: ***************************************
+63: [03:13:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+63: [03:13:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+63: [03:13:09] bond with order 0 found on line 7. This is not part of the MDL specification.
+116: pass 2
+116:  launch :0
+116:  launch :1
+116:  launch :2
+116:  launch :3
+63: [03:13:09] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+63: [03:13:09] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+63: [03:13:09] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+119: Randomness seeded to: 2524163370
 119: ===============================================================================
 119: All tests passed (166 assertions in 14 test cases)
 119: 
-108/222 Test #119: fpTestCatch ............................   Passed    0.06 sec
+108/222 Test #119: fpTestCatch ............................   Passed    0.07 sec
 test 120
         Start 120: fpGenTestCatch
 
 120: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
 120: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 120: Test timeout computed to be: 1500
-109/222 Test #114: pyMolDescriptors .......................   Passed    0.65 sec
+63: generating smiles
+63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+63: converting back
+63: check isomorphism
+105: =>start test 2 WHIM custom
+105: [03:13:09] test on : 365 molecules done
+115: ........
+115: ----------------------------------------------------------------------
+115: Ran 8 tests in 0.122s
+115: 
+115: OK
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test unfolded version of RDKFP   
+118: [03:13:09] -------------------------------------
+118: [03:13:09] Test topological torsion fp generator
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test Topological Torsions.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test Folded torsions.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test Bulk Topological Torsions.
+109/222 Test #115: pyMolDescriptors3D .....................   Passed    0.44 sec
 test 121
         Start 121: pyTestGenerator
 
 121: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
 121: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 121: Test timeout computed to be: 1500
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test unfolded version of RDKFP   
-118: [07:09:15] -------------------------------------
-118: [07:09:15] Test topological torsion fp generator
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Topological Torsions.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Folded torsions.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Bulk Topological Torsions.
-120: Randomness seeded to: 1171277049
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test Rooted Topological Torsions.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test ignoring atoms in Topological Torsions.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test Topological Torsions including info about chirality.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test GitHub Issue 25: fingerprint backwards compatibility.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test convenience and bulk fp calculation functions
+120: Randomness seeded to: 2231548324
 120: ===============================================================================
 120: All tests passed (2678 assertions in 4 test cases)
 120: 
-110/222 Test #120: fpGenTestCatch .........................   Passed    0.15 sec
+110/222 Test #120: fpGenTestCatch .........................   Passed    0.17 sec
 test 122
         Start 122: pyTestMHFP
 
 122: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
 122: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 122: Test timeout computed to be: 1500
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Rooted Topological Torsions.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test ignoring atoms in Topological Torsions.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test Topological Torsions including info about chirality.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test GitHub Issue 25: fingerprint backwards compatibility.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-118: [07:09:15]   done
-118: [07:09:15] -------------------------------------
-118: [07:09:15]     Test convenience and bulk fp calculation functions
 105: =>start test 1 WHIM custom
-105: [07:09:15] test on : 365 molecules done
-110: =>start test GETAWAY
-110: [07:09:15] test on : 365 molecules done
-111/222 Test #110: testGETAWAY ............................   Passed    1.22 sec
+105: [03:13:09] test on : 365 molecules done
+118: [03:13:09]   done
+118: [03:13:09] -------------------------------------
+118: [03:13:09]     Test GitHub Issue #6958
+111/222 Test #118: testFingerprintGenerators ..............   Passed    0.42 sec
 test 123
         Start 123: testPartialCharges
 
 123: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
 123: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges
 123: Test timeout computed to be: 1500
-121: .............
-121: ----------------------------------------------------------------------
-121: Ran 13 tests in 0.127s
-121: 
-121: OK
-112/222 Test #123: testPartialCharges .....................   Passed    0.02 sec
+112/222 Test #123: testPartialCharges .....................   Passed    0.01 sec
 test 124
         Start 124: pyPartialCharges
 
 124: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
 124: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
 124: Test timeout computed to be: 1500
-113/222 Test #121: pyTestGenerator ........................   Passed    0.48 sec
+25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+122: ..
+122: ----------------------------------------------------------------------
+122: Ran 2 tests in 0.031s
+122: 
+122: OK
+25: All 191 tests passed
+63: [03:13:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+63: [03:13:09]  deprecated group abbreviation ignored on line 24
+63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+63: [03:13:09] 
+63: 
+63: ****
+63: Post-condition Violation
+63: Element 'Mv' not found
+63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+63: Failed Expression: anum > -1
+63: ****
+63: 
+113/222 Test #122: pyTestMHFP .............................   Passed    0.30 sec
 test 125
         Start 125: testMolTransforms
 
 125: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms
 125: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
 125: Test timeout computed to be: 1500
-122: ..
-122: ----------------------------------------------------------------------
-122: Ran 2 tests in 0.023s
-122: 
-122: OK
 125: ***********************************************************
 125: Testing MolTransforms
 125: 	---------------------------------
@@ -18761,53 +18790,71 @@
 125: 	 testWeightedCentroid 
 125: 
 125: ***********************************************************
-114/222 Test #125: testMolTransforms ......................   Passed    0.07 sec
+114/222 Test #125: testMolTransforms ......................   Passed    0.08 sec
 test 126
         Start 126: pyMolTransforms
 
 126: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py"
 126: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap
 126: Test timeout computed to be: 1500
-115/222 Test #122: pyTestMHFP .............................   Passed    0.42 sec
+25: 
+25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
+110: =>start test GETAWAY
+110: [03:13:09] test on : 365 molecules done
+115/222 Test #110: testGETAWAY ............................   Passed    1.21 sec
 test 127
         Start 127: testMMFFForceFieldHelpers
 
 127: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
 127: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 127: Test timeout computed to be: 1500
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Test MMFF atom types.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing MMFF builder tools.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing MMFF builder+minimization.
-118: [07:09:16]   done
-118: [07:09:16] -------------------------------------
-118: [07:09:16]     Test GitHub Issue #6958
-116/222 Test #118: testFingerprintGenerators ..............   Passed    0.91 sec
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Test MMFF atom types.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing MMFF builder tools.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing MMFF builder+minimization.
+124: .......
+124: ----------------------------------------------------------------------
+124: Ran 7 tests in 0.139s
+124: 
+124: OK
+121: .............
+121: ----------------------------------------------------------------------
+121: Ran 13 tests in 0.211s
+121: 
+121: OK
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing Issue239.
+116/222 Test #124: pyPartialCharges .......................   Passed    0.53 sec
 test 128
         Start 128: testMMFFForceFieldHelpersMultiThread
 
 128: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
 128: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 128: Test timeout computed to be: 1500
-128: [07:09:16] -------------------------------------
-128: [07:09:16]     Test MMFF multithreading
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing Issue239.
-25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing calcEnergy with passed coords.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing calcGrad.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing Issue242.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing calcEnergy with passed coords.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing calcGrad.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing Issue242.
+128: [03:13:09] -------------------------------------
+128: [03:13:09]     Test MMFF multithreading
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing github 308: crash during MMFF parameterization .
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing SFIssue1653802.
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Testing SFIssue2378119.
 128: processing
 128:  launch :0
 128:  launch :1
@@ -18833,477 +18880,541 @@
 128:  launch :21
 128:  launch :22
 128:  launch :23
-25: All 191 tests passed
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing github 308: crash during MMFF parameterization .
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing SFIssue1653802.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Testing SFIssue2378119.
-127: [07:09:16]   done
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Test MMFF force-field parameter getters.
-127: [07:09:16] -------------------------------------
-127: [07:09:16]     Test MMFF multithreading
+127: [03:13:09]   done
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Test MMFF force-field parameter getters.
+127: [03:13:09] -------------------------------------
+127: [03:13:09]     Test MMFF multithreading
+126: ........
+126: ----------------------------------------------------------------------
+126: Ran 8 tests in 0.072s
+126: 
+126: OK
 127: generating reference data
-124: .......
-124: ----------------------------------------------------------------------
-124: Ran 7 tests in 0.097s
-124: 
-124: OK
-117/222 Test #124: pyPartialCharges .......................   Passed    0.52 sec
+117/222 Test #121: pyTestGenerator ........................   Passed    0.82 sec
 test 129
         Start 129: testUFFForceFieldHelpers
 
 129: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
 129: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
 129: Test timeout computed to be: 1500
-25: 
-25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Test UFF atom labels.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Test UFF atom typer.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing UFF builder tools.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing UFF builder+minimization.
-63: [07:09:16] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-63: [07:09:16] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-63: ----------------------------------
-63: ----------------------------------
-63: [07:09:16] 
-63: 
-63: ****
-63: Pre-condition Violation
-63: rlabel out of range for MDL files
-63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
-63: Failed Expression: rlabel >= 0 && rlabel < 100
-63: ****
-63: 
-63: [07:09:16] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-126: ........
-126: ----------------------------------------------------------------------
-126: Ran 8 tests in 0.061s
-126: 
-126: OK
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing UFF special cases.
-129: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 0
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing Issue239.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing calcEnergy with passed coords.
-128: done
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing calcGrad.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing SFIssue1653802.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing SFIssue2378119.
-128: [07:09:16]   done
-118/222 Test #126: pyMolTransforms ........................   Passed    0.52 sec
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Test UFF atom labels.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Test UFF atom typer.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing UFF builder tools.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing UFF builder+minimization.
+118/222 Test #126: pyMolTransforms ........................   Passed    0.43 sec
 test 130
         Start 130: testCrystalForceField
 
 130: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
 130: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
 130: Test timeout computed to be: 1500
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Test UFF force-field parameter getters.
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing handling missing parameters.
-129: [07:09:16] UFFTYPER: Unrecognized hybridization for atom: 0
-129: [07:09:16] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-129: [07:09:16] UFFTYPER: Unrecognized hybridization for atom: 0
-129: [07:09:16] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Testing SFIssue3009337.
-129: [07:09:16]   done
-129: [07:09:16] -------------------------------------
-129: [07:09:16]     Test UFF multithreading
+66: [03:13:10] Finished: testSmiCorrectness()
+66: [03:13:10] -----------------------------------------
+66: 
+66: [03:13:10] 
+66: -----------------------------------------
+66: [03:13:10] Spurious data before the first property will be ignored
+66: [03:13:10] Property <ID> will be truncated after the first blank line
+66: [03:13:10] Property <ID> will be truncated after the first blank line
+66: [03:13:10] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
 130: -------------------------------------
 130:  Test CrystalFF torsional term.
-129: generating reference data
-119/222 Test #128: testMMFFForceFieldHelpersMultiThread ...   Passed    0.41 sec
+105: =>start test GETAWAY custom
+105: [03:13:10] test on : 365 molecules done
+119/222 Test #105: testRDFcustom ..........................   Passed    2.29 sec
 test 131
         Start 131: pyForceFieldHelpers
 
 131: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
 131: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
 131: Test timeout computed to be: 1500
-105: =>start test GETAWAY custom
-105: [07:09:16] test on : 365 molecules done
-120/222 Test #105: testRDFcustom ..........................   Passed    2.66 sec
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing UFF special cases.
+129: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 0
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing Issue239.
+128: done
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing calcEnergy with passed coords.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing calcGrad.
+120/222 Test #130: testCrystalForceField ..................   Passed    0.19 sec
 test 132
         Start 132: testDistGeomHelpers
 
 132: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
 132: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 132: Test timeout computed to be: 1500
+128: [03:13:10]   done
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing SFIssue1653802.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing SFIssue2378119.
 132: go
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Test UFF force-field parameter getters.
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing handling missing parameters.
+129: [03:13:10] UFFTYPER: Unrecognized hybridization for atom: 0
+129: [03:13:10] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+129: [03:13:10] UFFTYPER: Unrecognized hybridization for atom: 0
+129: [03:13:10] UFFTYPER: Unrecognized atom type: Cu+1 (0)
 132: -------------------------------------
 132: 
-121/222 Test #130: testCrystalForceField ..................   Passed    0.13 sec
+121/222 Test #128: testMMFFForceFieldHelpersMultiThread ...   Passed    0.40 sec
 test 133
         Start 133: distGeomHelpersCatch
 
 133: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
 133: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 133: Test timeout computed to be: 1500
-133: Randomness seeded to: 2465434743
-63: [07:09:16] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-63: [07:09:16] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-133: [07:09:16] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Testing SFIssue3009337.
+129: [03:13:10]   done
+129: [03:13:10] -------------------------------------
+129: [03:13:10]     Test UFF multithreading
+66: [03:13:10] Finished: testSDCorrectness()
+66: [03:13:10] -----------------------------------------
+66: 
+122/222 Test  #66: testMultithreadedMolSupplier ...........   Passed    5.28 sec
+test 134
+        Start 134: pyDistGeomHelpers
+
+134: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
+134: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
+134: Test timeout computed to be: 1500
+129: generating reference data
 127: processing
 127:  launch :0
 127:  launch :1
 127:  launch :2
 127:  launch :3
-127: [07:09:16] Rep: 0 Mol:1
-127: [07:09:16] Rep: 0 Mol:2
-127: [07:09:16] Rep: 0 Mol:3
-127: [07:09:16] Rep: 0 Mol:5
-133: [07:09:16] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-127: [07:09:16] Rep: 0 Mol:0
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-133: [07:09:16] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-127: [07:09:16] Rep: 0 Mol:9
-127: [07:09:16] Rep: 0 Mol:13
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+127: [03:13:10] Rep: 0 Mol:0
+127: [03:13:10] Rep: 0 Mol:1
+127: [03:13:10] Rep: 0 Mol:2
+127: [03:13:10] Rep: 0 Mol:3
+127: [03:13:10] Rep: 0 Mol:4
+133: Randomness seeded to: 696485902
+127: [03:13:10] Rep: 0 Mol:6
+127: [03:13:10] Rep: 0 Mol:5
+127: [03:13:10] Rep: 0 Mol:9
+127: [03:13:10] Rep: 0 Mol:8
+127: [03:13:10] Rep: 0 Mol:10
+127: [03:13:10] Rep: 0 Mol:13
+127: [03:13:10] Rep: 0 Mol:12
+127: [03:13:10] Rep: 0 Mol:17
+127: [03:13:10] Rep: 0 Mol:16
+127: [03:13:10] Rep: 0 Mol:20
+127: [03:13:10] Rep: 0 Mol:24
+127: [03:13:10] Rep: 0 Mol:28
+133: [03:13:10] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
+127: [03:13:10] Rep: 0 Mol:7
+127: [03:13:10] Rep: 0 Mol:11
+127: [03:13:10] Rep: 0 Mol:15
+127: [03:13:10] Rep: 0 Mol:19
+133: [03:13:10] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
+127: [03:13:10] Rep: 0 Mol:21
+133: [03:13:10] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+127: [03:13:10] Rep: 0 Mol:23
+127: [03:13:10] Rep: 0 Mol:27
+127: [03:13:10] Rep: 0 Mol:31
+127: [03:13:10] Rep: 0 Mol:25
+133: [03:13:10] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
 133: -----------
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:4
-63: [07:09:16] Empty atom list: 'M  ALS   1  0 F' on line 8.
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-133: [07:09:16] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:17
-131: ..[07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+127: [03:13:10] Rep: 0 Mol:14
+127: [03:13:10] Rep: 0 Mol:29
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
 133: -----------
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-127: [07:09:16] Rep: 0 Mol:6
+127: [03:13:10] Rep: 0 Mol:18
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
 133: -----------
+127: [03:13:10] Rep: 20 Mol:0
+127: [03:13:10] Rep: 20 Mol:4
+127: [03:13:10] Rep: 20 Mol:8
+127: [03:13:10] Rep: 20 Mol:12
 133: -----------
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-133: [07:09:16] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-122/222 Test  #63: fileParsersTest1 .......................   Passed    5.22 sec
-test 134
-        Start 134: pyDistGeomHelpers
-
-134: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
-134: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
-134: Test timeout computed to be: 1500
-127: [07:09:16] Rep: 0 Mol:10
-127: [07:09:16] Rep: 0 Mol:8
-127: [07:09:16] Rep: 0 Mol:7
-127: [07:09:16] Rep: 0 Mol:21
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:11
-127: [07:09:16] Rep: 0 Mol:15
-127: [07:09:16] Rep: 0 Mol:12
-127: [07:09:16] Rep: 0 Mol:19
-127: [07:09:16] Rep: 0 Mol:25
-127: [07:09:16] Rep: 0 Mol:16
-127: [07:09:16] Rep: 0 Mol:23
-127: [07:09:16] Rep: 0 Mol:27
-127: [07:09:16] Rep: 0 Mol:29
-127: [07:09:16] Rep: 0 Mol:31
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:20
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:24
-127: [07:09:16] Rep: 0 Mol:14
-127: [07:09:16] Rep: 0 Mol:28
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: .[07:09:16] UFFTYPER: Unrecognized hybridization for atom: 0
-131: [07:09:16] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:18
-131: .[07:09:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: .[07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: ..[07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:16] Rep: 0 Mol:22
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+133: [03:13:10] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+127: [03:13:10] Rep: 20 Mol:16
+127: [03:13:10] Rep: 20 Mol:20
+127: [03:13:10] Rep: 20 Mol:24
+127: [03:13:10] Rep: 20 Mol:28
+127: [03:13:10] Rep: 0 Mol:22
 129: processing
 129:  launch :0
-129: [07:09:16] Rep: 0 Mol:0
 129:  launch :1
-129: [07:09:16] Rep: 0 Mol:4
-127: [07:09:16] Rep: 0 Mol:26
 129:  launch :2
-131: [07:09:16] Molecule does not have explicit Hs. Consider calling AddHs()
 129:  launch :3
-129: [07:09:16] Rep: 0 Mol:1
-129: [07:09:16] Rep: 0 Mol:5
-133: [07:09:16] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
-129: [07:09:16] Rep: 0 Mol:9
-133: [07:09:16] UFFTYPER: Unrecognized atom type: N_5 (2)
-133: [07:09:16] UFFTYPER: Unrecognized atom type: N_5 (3)
-133: [07:09:16] UFFTYPER: Unrecognized atom type: N_5 (2)
-133: [07:09:16] UFFTYPER: Unrecognized atom type: N_5 (3)
-129: [07:09:16] Rep: 0 Mol:3
-129: [07:09:16] Rep: 0 Mol:2
-129: [07:09:16] Rep: 0 Mol:13
-127: [07:09:16] Rep: 0 Mol:30
-129: [07:09:16] Rep: 0 Mol:17
-129: [07:09:16] Rep: 0 Mol:7
-129: [07:09:16] Rep: 0 Mol:11
-129: [07:09:16] Rep: 0 Mol:15
-129: [07:09:16] Rep: 0 Mol:6
-129: [07:09:16] Rep: 0 Mol:19
-129: [07:09:16] Rep: 0 Mol:23
-129: [07:09:16] Rep: 0 Mol:27
-129: [07:09:16] Rep: 0 Mol:10
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 1
-129: [07:09:16] Rep: 0 Mol:31
-129: [07:09:16] Rep: 0 Mol:21
-129: [07:09:16] Rep: 0 Mol:8
+129: [03:13:10] Rep: 0 Mol:2
+127: [03:13:10] Rep: 0 Mol:26
+129: [03:13:10] Rep: 0 Mol:6
+129: [03:13:10] Rep: 0 Mol:1
+129: [03:13:10] Rep: 0 Mol:0
+129: [03:13:10] Rep: 0 Mol:10
+129: [03:13:10] Rep: 0 Mol:5
+129: [03:13:10] Rep: 0 Mol:9
+129: [03:13:10] Rep: 0 Mol:13
+129: [03:13:10] Rep: 0 Mol:4
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+129: [03:13:10] Rep: 0 Mol:3
+127: [03:13:10] Rep: 0 Mol:30
+129: [03:13:10] Rep: 0 Mol:14
+129: [03:13:10] Rep: 0 Mol:18
+131: ..[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+129: [03:13:10] Rep: 0 Mol:17
+129: [03:13:10] Rep: 0 Mol:22
+129: [03:13:10] Rep: 0 Mol:26
+129: [03:13:10] Rep: 0 Mol:8
+129: [03:13:10] Rep: 0 Mol:7
+129: [03:13:10] Rep: 0 Mol:11
+129: [03:13:10] Rep: 0 Mol:30
+129: [03:13:10] Rep: 0 Mol:12
+129: [03:13:10] Rep: 0 Mol:16
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+129: [03:13:10] Rep: 0 Mol:21
+129: [03:13:10] Rep: 0 Mol:15
+129: [03:13:10] Rep: 0 Mol:19
+129: [03:13:10] Rep: 0 Mol:25
+129: [03:13:10] Rep: 0 Mol:23
+129: [03:13:10] Rep: 0 Mol:20
+129: [03:13:10] Rep: 0 Mol:29
+129: [03:13:10] Rep: 0 Mol:27
+129: [03:13:10] Rep: 0 Mol:24
+129: [03:13:10] Rep: 0 Mol:31
+129: [03:13:10] Rep: 0 Mol:28
+127: [03:13:10] Rep: 20 Mol:3
+127: [03:13:10] Rep: 20 Mol:7
+127: [03:13:10] Rep: 20 Mol:11
+127: [03:13:10] Rep: 20 Mol:15
+127: [03:13:10] Rep: 20 Mol:19
+127: [03:13:10] Rep: 20 Mol:23
+127: [03:13:10] Rep: 20 Mol:27
+127: [03:13:10] Rep: 20 Mol:31
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] Rep: 20 Mol:1
+127: [03:13:10] Rep: 20 Mol:5
+127: [03:13:10] Rep: 20 Mol:9
+127: [03:13:10] Rep: 20 Mol:13
+127: [03:13:10] Rep: 20 Mol:17
+127: [03:13:10] Rep: 20 Mol:21
+127: [03:13:10] Rep: 20 Mol:25
+127: [03:13:10] Rep: 20 Mol:29
+133: [03:13:10] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
+133: [03:13:10] UFFTYPER: Unrecognized atom type: N_5 (2)
+133: [03:13:10] UFFTYPER: Unrecognized atom type: N_5 (3)
+133: [03:13:10] UFFTYPER: Unrecognized atom type: N_5 (2)
+133: [03:13:10] UFFTYPER: Unrecognized atom type: N_5 (3)
+63: [03:13:10] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+63: [03:13:10] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] UFFTYPER: Unrecognized hybridization for atom: 0
+131: [03:13:10] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: .[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+131: ..[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] Rep: 40 Mol:0
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 1
+127: [03:13:10] Rep: 40 Mol:4
+127: [03:13:10] Rep: 40 Mol:8
+127: [03:13:10] Rep: 40 Mol:12
+127: [03:13:10] Rep: 40 Mol:16
+131: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] [03:13:10] Rep: 40 Mol:3
+127: [03:13:10] Rep: 40 Mol:7
+127: [03:13:10] Rep: 40 Mol:11
+127: [03:13:10] Rep: 40 Mol:15
+127: [03:13:10] Rep: 40 Mol:19
+127: [03:13:10] Rep: 40 Mol:23
+127: [03:13:10] Rep: 40 Mol:27
+127: [03:13:10] Rep: 40 Mol:31
+127: Rep: 40 Mol:20
+127: [03:13:10] Rep: 40 Mol:24
+127: [03:13:10] Rep: 40 Mol:28
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 1
+63: ----------------------------------
+63: ----------------------------------
+63: [03:13:10] 
+63: 
+63: ****
+63: Pre-condition Violation
+63: rlabel out of range for MDL files
+63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
+63: Failed Expression: rlabel >= 0 && rlabel < 100
+63: ****
+63: 
+63: [03:13:10] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 1
+134: .[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: ..[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
 131: ...
 131: ----------------------------------------------------------------------
-131: Ran 18 tests in 0.157s
+131: Ran 18 tests in 0.183s
 131: 
 131: OK
-129: [07:09:16] Rep: 0 Mol:25
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 1
-127: [07:09:16] Rep: 20 Mol:3
-129: [07:09:16] Rep: 0 Mol:29
-127: [07:09:16] Rep: 20 Mol:7
-127: [07:09:16] Rep: 20 Mol:11
-127: [07:09:16] Rep: 20 Mol:15
-127: [07:09:16] Rep: 20 Mol:19
-127: [07:09:16] Rep: 20 Mol:23
-127: [07:09:16] Rep: 20 Mol:27
-127: [07:09:16] Rep: 20 Mol:31
-129: [07:09:16] Rep: 0 Mol:12
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 1
-129: [07:09:16] Rep: 0 Mol:16
-129: [07:09:16] Rep: 0 Mol:14
-129: [07:09:16] Rep: 0 Mol:18
-129: [07:09:16] Rep: 0 Mol:20
-129: [07:09:16] Rep: 0 Mol:22
-129: [07:09:16] Rep: 0 Mol:26
-129: [07:09:16] Rep: 0 Mol:24
-129: [07:09:16] Rep: 0 Mol:28
-127: [07:09:16] Rep: 20 Mol:1
-127: [07:09:16] Rep: 20 Mol:5
-127: [07:09:16] Rep: 20 Mol:9
-129: [07:09:16] Rep: 0 Mol:30
-123/222 Test #131: pyForceFieldHelpers ....................   Passed    0.40 sec
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: ..[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: .[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+123/222 Test #131: pyForceFieldHelpers ....................   Passed    0.54 sec
 test 135
         Start 135: testMolAlign
 
 135: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
 135: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 135: Test timeout computed to be: 1500
-127: [07:09:16] Rep: 20 Mol:13
-127: [07:09:16] Rep: 20 Mol:17
-127: [07:09:16] Rep: 20 Mol:21
-127: [07:09:16] Rep: 20 Mol:25
-127: [07:09:16] Rep: 20 Mol:29
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 5
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 5
-133: [07:09:16] UFFTYPER: Unrecognized charge state for atom: 5
-127: [07:09:16] Rep: 40 Mol:3
-127: [07:09:16] Rep: 20 Mol:0
-127: [07:09:16] Rep: 20 Mol:4
-127: [07:09:17] Rep: 20 Mol:8
-127: [07:09:17] Rep: 40 Mol:7
-127: [07:09:17] Rep: 20 Mol:12
-127: [07:09:17] Rep: 20 Mol:16
-127: [07:09:17] Rep: 20 Mol:20
-127: [07:09:17] Rep: 20 Mol:24
-127: [07:09:17] Rep: 20 Mol:28
-127: [07:09:17] Rep: 40 Mol:11
-127: [07:09:17] Rep: 40 Mol:15
-127: [07:09:17] Rep: 40 Mol:19
-127: [07:09:17] Rep: 40 Mol:23
-127: [07:09:17] Rep: 40 Mol:27
-127: [07:09:17] Rep: 40 Mol:31
-127: [07:09:17] Rep: 20 Mol:2
-127: [07:09:17] Rep: 20 Mol:6
-127: [07:09:17] Rep: 20 Mol:10
-127: [07:09:17] Rep: 20 Mol:14
-127: [07:09:17] Rep: 20 Mol:18
-127: [07:09:17] Rep: 20 Mol:22
-133: [07:09:17] UFFTYPER: Unrecognized charge state for atom: 6
-127: [07:09:17] Rep: 20 Mol:26
-127: [07:09:17] Rep: 20 Mol:30
-134: .[07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-133: [07:09:17] UFFTYPER: Unrecognized charge state for atom: 6
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 40 Mol:1
-134: ..[07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 40 Mol:5
-127: [07:09:17] Rep: 40 Mol:9
-127: [07:09:17] Rep: 40 Mol:13
-127: [07:09:17] Rep: 40 Mol:17
-127: [07:09:17] Rep: 40 Mol:21
-127: [07:09:17] Rep: 40 Mol:25
-127: [07:09:17] Rep: 40 Mol:29
-133: [07:09:17] UFFTYPER: Unrecognized charge state for atom: 6
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: ..[07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: .[07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 5
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 5
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] Rep: 40 Mol:1
+127: [03:13:10] Rep: 40 Mol:5
+127: [03:13:10] Rep: 40 Mol:9
+127: [03:13:10] Rep: 40 Mol:13
+127: [03:13:10] Rep: 40 Mol:17
+127: [03:13:10] Rep: 40 Mol:21
+127: [03:13:10] Rep: 40 Mol:25
+127: [03:13:10] Rep: 20 Mol:2
+127: [03:13:10] Rep: 40 Mol:29
+127: [03:13:10] Rep: 20 Mol:6
+127: [03:13:10] Rep: 20 Mol:10
+127: [03:13:10] Rep: 20 Mol:14
+127: [03:13:10] Rep: 60 Mol:3
+127: [03:13:10] Rep: 20 Mol:18
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 5
+127: [03:13:10] Rep: 20 Mol:22
+127: [03:13:10] Rep: 60 Mol:7
+127: [03:13:10] Rep: 20 Mol:26
+127: [03:13:10] Rep: 20 Mol:30
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] Rep: 60 Mol:11
+127: [03:13:10] Rep: 60 Mol:15
+127: [03:13:10] Rep: 60 Mol:19
+127: [03:13:10] Rep: 60 Mol:23
+127: [03:13:10] Rep: 60 Mol:27
+127: [03:13:10] Rep: 60 Mol:31
+127: [03:13:10] Rep: 60 Mol:0
+127: [03:13:10] Rep: 60 Mol:4
+63: [03:13:10] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+63: [03:13:10] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+127: [03:13:10] Rep: 60 Mol:8
+127: [03:13:10] Rep: 60 Mol:12
+127: [03:13:10] Rep: 60 Mol:16
+127: [03:13:10] Rep: 60 Mol:20
+127: [03:13:10] Rep: 60 Mol:24
+127: [03:13:10] Rep: 60 Mol:28
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 6
+63: [03:13:10] Empty atom list: 'M  ALS   1  0 F' on line 8.
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+124/222 Test  #63: fileParsersTest1 .......................   Passed    5.96 sec
+test 136
+        Start 136: testO3AAlign
+
+136: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
+136: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
+136: Test timeout computed to be: 1500
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 6
+133: [03:13:10] UFFTYPER: Unrecognized charge state for atom: 6
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
 135: ***********************************************************
 135: Testing MolAlign
 135: 	---------------------------------
@@ -19325,212 +19436,76 @@
 135: 	 testIssue241 
 135: 
 135: ***********************************************************
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-66: [07:09:17] Finished: testSmiCorrectness()
-66: [07:09:17] -----------------------------------------
-66: 
-66: [07:09:17] 
-66: -----------------------------------------
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-66: [07:09:17] Spurious data before the first property will be ignored
-66: [07:09:17] Property <ID> will be truncated after the first blank line
-66: [07:09:17] Property <ID> will be truncated after the first blank line
-66: [07:09:17] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-124/222 Test #135: testMolAlign ...........................   Passed    0.19 sec
-test 136
-        Start 136: testO3AAlign
-
-136: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
-136: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
-136: Test timeout computed to be: 1500
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 60 Mol:3
-127: [07:09:17] Rep: 60 Mol:7
-127: [07:09:17] Rep: 60 Mol:11
-127: [07:09:17] Rep: 60 Mol:15
-127: [07:09:17] Rep: 60 Mol:19
-127: [07:09:17] Rep: 60 Mol:23
-127: [07:09:17] Rep: 60 Mol:27
-127: [07:09:17] Rep: 60 Mol:31
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 40 Mol:0
-127: [07:09:17] Rep: 40 Mol:4
-127: [07:09:17] Rep: 40 Mol:8
-127: [07:09:17] Rep: 40 Mol:12
-127: [07:09:17] Rep: 40 Mol:16
-127: [07:09:17] Rep: 40 Mol:20
-127: [07:09:17] Rep: 40 Mol:24
-127: [07:09:17] Rep: 40 Mol:28
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 40 Mol:2
-127: [07:09:17] Rep: 40 Mol:6
-127: [07:09:17] Rep: 40 Mol:10
-127: [07:09:17] Rep: 40 Mol:14
-127: [07:09:17] Rep: 40 Mol:18
-127: [07:09:17] Rep: 40 Mol:22
-127: [07:09:17] Rep: 40 Mol:26
-127: [07:09:17] Rep: 40 Mol:30
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 60 Mol:1
-127: [07:09:17] Rep: 60 Mol:5
-127: [07:09:17] Rep: 60 Mol:9
-127: [07:09:17] Rep: 60 Mol:13
-127: [07:09:17] Rep: 60 Mol:17
-127: [07:09:17] Rep: 60 Mol:21
-127: [07:09:17] Rep: 60 Mol:25
-127: [07:09:17] Rep: 60 Mol:29
-129: [07:09:17] Rep: 100 Mol:3
-129: [07:09:17] Rep: 100 Mol:7
-129: [07:09:17] Rep: 100 Mol:11
-129: [07:09:17] Rep: 100 Mol:15
-129: [07:09:17] Rep: 100 Mol:19
-129: [07:09:17] Rep: 100 Mol:23
-129: [07:09:17] Rep: 100 Mol:27
-129: [07:09:17] Rep: 100 Mol:31
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 80 Mol:3
-127: [07:09:17] Rep: 80 Mol:7
-127: [07:09:17] Rep: 80 Mol:11
-127: [07:09:17] Rep: 80 Mol:15
-127: [07:09:17] Rep: 80 Mol:19
-127: [07:09:17] Rep: 80 Mol:23
-127: [07:09:17] Rep: 80 Mol:27
-127: [07:09:17] Rep: 80 Mol:31
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-134: .[07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-129: [07:09:17] Rep: 100 Mol:1
-129: [07:09:17] Rep: 100 Mol:5
-129: [07:09:17] Rep: 100 Mol:9
-129: [07:09:17] Rep: 100 Mol:13
-129: [07:09:17] Rep: 100 Mol:17
-129: [07:09:17] Rep: 100 Mol:21
-129: [07:09:17] Rep: 100 Mol:25
-129: [07:09:17] Rep: 100 Mol:29
-127: [07:09:17] Rep: 80 Mol:1
-127: [07:09:17] Rep: 80 Mol:5
-127: [07:09:17] Rep: 80 Mol:9
-127: [07:09:17] Rep: 80 Mol:13
-127: [07:09:17] Rep: 80 Mol:17
-127: [07:09:17] Rep: 80 Mol:21
-127: [07:09:17] Rep: 80 Mol:25
-127: [07:09:17] Rep: 80 Mol:29
-127: [07:09:17] Rep: 60 Mol:0
-127: [07:09:17] Rep: 60 Mol:4
-127: [07:09:17] Rep: 60 Mol:8
-127: [07:09:17] Rep: 60 Mol:12
-127: [07:09:17] Rep: 60 Mol:16
-127: [07:09:17] Rep: 60 Mol:20
-127: [07:09:17] Rep: 60 Mol:24
-127: [07:09:17] Rep: 60 Mol:28
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-127: [07:09:17] Rep: 60 Mol:2
-127: [07:09:17] Rep: 60 Mol:6
-127: [07:09:17] Rep: 60 Mol:10
-127: [07:09:17] Rep: 60 Mol:14
-127: [07:09:17] Rep: 60 Mol:18
-127: [07:09:17] Rep: 60 Mol:22
-127: [07:09:17] Rep: 60 Mol:26
-129: [07:09:17] Rep: 100 Mol:0
-129: [07:09:17] Rep: 100 Mol:4
-129: [07:09:17] Rep: 100 Mol:8
-129: [07:09:17] Rep: 100 Mol:12
-129: [07:09:17] Rep: 100 Mol:16
-127: [07:09:17] Rep: 60 Mol:30
-129: [07:09:17] Rep: 100 Mol:20
-129: [07:09:17] Rep: 100 Mol:24
-129: [07:09:17] Rep: 100 Mol:28
-66: [07:09:17] Finished: testSDCorrectness()
-66: [07:09:17] -----------------------------------------
-66: 
-125/222 Test  #66: testMultithreadedMolSupplier ...........   Passed    5.61 sec
+125/222 Test #135: testMolAlign ...........................   Passed    0.10 sec
 test 137
         Start 137: molAlignCatchTest
 
 137: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
 137: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 137: Test timeout computed to be: 1500
-127: [07:09:17] Rep: 80 Mol:2
-127: [07:09:17] Rep: 80 Mol:6
-127: [07:09:17] Rep: 80 Mol:10
-127: [07:09:17] Rep: 80 Mol:14
-127: [07:09:17] Rep: 80 Mol:18
-127: [07:09:17] Rep: 80 Mol:22
-127: [07:09:17] Rep: 80 Mol:26
-127: [07:09:17] Rep: 80 Mol:30
-127: [07:09:17] Rep: 80 Mol:0
-127: [07:09:17] Rep: 80 Mol:4
-127: [07:09:17] Rep: 80 Mol:8
-127: [07:09:17] Rep: 80 Mol:12
-127: [07:09:17] Rep: 80 Mol:16
-127: [07:09:17] Rep: 80 Mol:20
-127: [07:09:17] Rep: 80 Mol:24
-127: [07:09:17] Rep: 80 Mol:28
-137: Randomness seeded to: 2711590943
-137: 51236959
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-129: [07:09:17] Rep: 100 Mol:2
-129: [07:09:17] Rep: 100 Mol:6
-129: [07:09:17] Rep: 100 Mol:10
-129: [07:09:17] Rep: 100 Mol:14
-129: [07:09:17] Rep: 100 Mol:18
-129: [07:09:17] Rep: 100 Mol:22
-129: [07:09:17] Rep: 100 Mol:26
-129: [07:09:17] Rep: 100 Mol:30
-127: [07:09:17]   done
-127: [07:09:17] -------------------------------------
-127: [07:09:17]     Test MMFF multithreading2
-137: 54122350
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test unfolded version of RDKFP   
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Test bitinfo of RDKFP   
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+134: .[03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+129: [03:13:10] Rep: 100 Mol:3
+129: [03:13:10] Rep: 100 Mol:7
+129: [03:13:10] Rep: 100 Mol:11
+129: [03:13:10] Rep: 100 Mol:15
+129: [03:13:10] Rep: 100 Mol:19
+129: [03:13:10] Rep: 100 Mol:23
+129: [03:13:10] Rep: 100 Mol:27
+129: [03:13:10] Rep: 100 Mol:31
+127: [03:13:10] Rep: 60 Mol:1
+127: [03:13:10] Rep: 60 Mol:5
+127: [03:13:10] Rep: 60 Mol:9
+127: [03:13:10] Rep: 60 Mol:13
+127: [03:13:10] Rep: 80 Mol:3
+127: [03:13:10] Rep: 60 Mol:17
+127: [03:13:10] Rep: 60 Mol:21
+127: [03:13:10] Rep: 60 Mol:25
+127: [03:13:10] Rep: 60 Mol:29
+127: [03:13:10] Rep: 80 Mol:7
+127: [03:13:10] Rep: 80 Mol:11
+127: [03:13:10] Rep: 80 Mol:15
+127: [03:13:10] Rep: 80 Mol:19
+127: [03:13:10] Rep: 80 Mol:23
+127: [03:13:10] Rep: 80 Mol:27
+127: [03:13:10] Rep: 80 Mol:31
+127: [03:13:10] Rep: 40 Mol:2
+127: [03:13:10] Rep: 40 Mol:6
+127: [03:13:10] Rep: 40 Mol:10
+127: [03:13:10] Rep: 40 Mol:14
+127: [03:13:10] Rep: 40 Mol:18
+127: [03:13:10] Rep: 40 Mol:22
+127: [03:13:10] Rep: 40 Mol:26
+127: [03:13:10] Rep: 40 Mol:30
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:10] Rep: 80 Mol:0
+127: [03:13:10] Rep: 80 Mol:4
+127: [03:13:10] Rep: 80 Mol:8
+127: [03:13:10] Rep: 80 Mol:12
+127: [03:13:10] Rep: 80 Mol:16
+127: [03:13:10] Rep: 80 Mol:20
+127: [03:13:10] Rep: 80 Mol:24
+127: [03:13:10] Rep: 80 Mol:28
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test unfolded version of RDKFP   
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Test bitinfo of RDKFP   
 116:    562:  [ 2 ], 
 116:    709:  [ 0 1 ], 
 116:    1118:  [ 0 1 2 ], 
@@ -19542,105 +19517,134 @@
 116:    1772:  [ 0 ],  [ 1 ], 
 116:    1813:  [ 0 1 ], 
 116:   ------------ 
-116: [07:09:17] -------------------------------------
-116: [07:09:17]     Single atoms setting radius 1 bits in Morgan fingerprints  
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #879: Pattern fingerprint should set bits for single-atom fragments.
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #2115: BitInfo not complete for RDKFingerprint
-116: [07:09:17]   done
-116: [07:09:17] -------------------------------------
-116: [07:09:17] Github #3723: Fingerprint crash for mols with Zero order bonds
-116: [07:09:17]   done
-126/222 Test #116: testFingerprints .......................   Passed    2.91 sec
+116: [03:13:10] -------------------------------------
+116: [03:13:10]     Single atoms setting radius 1 bits in Morgan fingerprints  
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #879: Pattern fingerprint should set bits for single-atom fragments.
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #2115: BitInfo not complete for RDKFingerprint
+116: [03:13:10]   done
+116: [03:13:10] -------------------------------------
+116: [03:13:10] Github #3723: Fingerprint crash for mols with Zero order bonds
+116: [03:13:10]   done
+126/222 Test #116: testFingerprints .......................   Passed    2.11 sec
 test 138
         Start 138: pyMolAlign
 
 138: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
 138: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap
 138: Test timeout computed to be: 1500
-133: [07:09:17] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-127: [07:09:17]   done
-127: [07:09:17] -------------------------------------
-127: [07:09:17]     Test MMFF multithreading3
+137: Randomness seeded to: 2126401506
+137: 58701251
+129: [03:13:10] Rep: 100 Mol:2
+129: [03:13:10] Rep: 100 Mol:6
+129: [03:13:10] Rep: 100 Mol:10
+129: [03:13:10] Rep: 100 Mol:14
+129: [03:13:10] Rep: 100 Mol:18
+129: [03:13:10] Rep: 100 Mol:22
+129: [03:13:10] Rep: 100 Mol:26
+129: [03:13:10] Rep: 100 Mol:30
+127: [03:13:10] Rep: 80 Mol:1
+127: [03:13:10] Rep: 80 Mol:5
+127: [03:13:10] Rep: 80 Mol:9
+127: [03:13:10] Rep: 80 Mol:13
+127: [03:13:10] Rep: 80 Mol:17
+127: [03:13:10] Rep: 80 Mol:21
+127: [03:13:10] Rep: 80 Mol:25
+127: [03:13:10] Rep: 80 Mol:29
+134: [03:13:10] Molecule does not have explicit Hs. Consider calling AddHs()
+137: 54110750
 83: 0,0 0
 83: 0,1 0
 83: 1,0 0
 83: 1,1 0
 83: 2,0 0
 83: 2,1 0
-133: [07:09:17] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-127/222 Test  #83: testEnumeration ........................   Passed    5.20 sec
+129: [03:13:10] Rep: 100 Mol:1
+129: [03:13:10] Rep: 100 Mol:5
+129: [03:13:10] Rep: 100 Mol:9
+129: [03:13:10] Rep: 100 Mol:13
+129: [03:13:10] Rep: 100 Mol:17
+129: [03:13:10] Rep: 100 Mol:21
+127/222 Test  #83: testEnumeration ........................   Passed    4.66 sec
 test 139
         Start 139: testFeatures
 
 139: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 139: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures
 139: Test timeout computed to be: 1500
-139: [07:09:17] -------------------------------------
-139: [07:09:17] AtomType parser testing.
-139: [07:09:17] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
-139: [07:09:17] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] FeatureDefinition parser testing.
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Test pulling feat defs from a string.
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] FeatureDef functionality testing.
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] FeatureFactory testing.
-139: [07:09:17] 1
-139: [07:09:17] 2
-139: [07:09:17] 3
-139: [07:09:17] 4
-139: [07:09:17] 5
-139: [07:09:17] 6
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Feature Location testing.
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Test building a FeatureFactory from a file
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing Issue 224.
-133: [07:09:17] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing Issue 225.
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Test Issue346
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Test Issue347
-139: [07:09:17]   done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing Issue 348.
-139: [07:09:17] SMARTS Parse Error: syntax error while parsing: [C[C]
-139: [07:09:17] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing Nested AtomType definitions.
+129: [03:13:10] Rep: 100 Mol:25
+129: [03:13:10] Rep: 100 Mol:29
+139: [03:13:11] -------------------------------------
+139: [03:13:11] AtomType parser testing.
+139: [03:13:11] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
+139: [03:13:11] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] FeatureDefinition parser testing.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Test pulling feat defs from a string.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] FeatureDef functionality testing.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] FeatureFactory testing.
+139: [03:13:11] 1
+139: [03:13:11] 2
+139: [03:13:11] 3
+139: [03:13:11] 4
+139: [03:13:11] 5
+139: [03:13:11] 6
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Feature Location testing.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Test building a FeatureFactory from a file
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing Issue 224.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing Issue 225.
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Test Issue346
+127: [03:13:11] Rep: 60 Mol:2
+127: [03:13:11] Rep: 60 Mol:6
+127: [03:13:11] Rep: 60 Mol:10
+127: [03:13:11] Rep: 60 Mol:14
+127: [03:13:11] Rep: 60 Mol:18
+127: [03:13:11] Rep: 60 Mol:22
+127: [03:13:11] Rep: 60 Mol:26
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Test Issue347
+139: [03:13:11]   done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing Issue 348.
+139: [03:13:11] SMARTS Parse Error: syntax error while parsing: [C[C]
+139: [03:13:11] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing Nested AtomType definitions.
 139: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing Github Issue #252: crash when calling getPos() with no conformer.
-139: [07:09:17]      expect a precondition failure message below
-139: [07:09:17] 
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing Github Issue #252: crash when calling getPos() with no conformer.
+139: [03:13:11]      expect a precondition failure message below
+139: [03:13:11] 
 139: 
 139: ****
 139: Pre-condition Violation
@@ -19649,61 +19653,64 @@
 139: Failed Expression: dp_mol->getNumConformers()
 139: ****
 139: 
-139: [07:09:17]    Done
-139: [07:09:17] -------------------------------------
-139: [07:09:17] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
-139: [07:09:17]   done
-128/222 Test #139: testFeatures ...........................   Passed    0.03 sec
+139: [03:13:11]    Done
+139: [03:13:11] -------------------------------------
+139: [03:13:11] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
+139: [03:13:11]   done
+128/222 Test #139: testFeatures ...........................   Passed    0.04 sec
 test 140
         Start 140: pyChemicalFeatures
 
 140: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
 140: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
 140: Test timeout computed to be: 1500
-134: [07:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-129: [07:09:17]   done
-129: [07:09:17] -------------------------------------
-129: [07:09:17]     Test UFF multithreading2
-133: [07:09:18] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-133: [07:09:18] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-133: [07:09:18] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-134: [07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-132: building molecules
-132: generating reference data
-140: .[07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-140: .[07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-140: ..[07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-140: .[07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-140: .[07:09:18] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
-140: [07:09:18] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
+127: [03:13:11] Rep: 60 Mol:30
+134: [03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+129: [03:13:11] Rep: 100 Mol:0
+129: [03:13:11] Rep: 100 Mol:4
+129: [03:13:11] Rep: 100 Mol:8
+129: [03:13:11] Rep: 100 Mol:12
+129: [03:13:11] Rep: 100 Mol:16
+129: [03:13:11] Rep: 100 Mol:20
+129: [03:13:11] Rep: 100 Mol:24
+129: [03:13:11] Rep: 100 Mol:28
+127: [03:13:11] Rep: 80 Mol:2
+127: [03:13:11] Rep: 80 Mol:6
+127: [03:13:11] Rep: 80 Mol:10
+127: [03:13:11] Rep: 80 Mol:14
+127: [03:13:11] Rep: 80 Mol:18
+127: [03:13:11] Rep: 80 Mol:22
+127: [03:13:11] Rep: 80 Mol:26
+127: [03:13:11] Rep: 80 Mol:30
+134: [03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:11]   done
+127: [03:13:11] -------------------------------------
+127: [03:13:11]     Test MMFF multithreading2
+134: [03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+140: .[03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+140: .[03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+140: ..[03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+140: .[03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+140: .[03:13:11] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
+140: [03:13:11] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
 140: ...
 140: ----------------------------------------------------------------------
-140: Ran 9 tests in 0.047s
+140: Ran 9 tests in 0.119s
 140: 
 140: OK
-127: [07:09:18]   done
-127: [07:09:18] -------------------------------------
-127: [07:09:18]     Testing github 162: Incorrect SMILES after MMFF parameterization .
-127: [07:09:18]   done
-127: [07:09:18] -------------------------------------
-127: [07:09:18]     Testing github 224: crash during MMFF parameterization .
-127: [07:09:18]   done
-127: [07:09:18] -------------------------------------
-127: [07:09:18]     Testing github6728: crash due to missing stretch-bend params.
-129/222 Test #127: testMMFFForceFieldHelpers ..............   Passed    2.43 sec
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+129: [03:13:11]   done
+129: [03:13:11] -------------------------------------
+129: [03:13:11]     Test UFF multithreading2
+129/222 Test #140: pyChemicalFeatures .....................   Passed    0.51 sec
 test 141
         Start 141: testShapeHelpers
 
 141: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers
 141: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers
 141: Test timeout computed to be: 1500
-130/222 Test #140: pyChemicalFeatures .....................   Passed    0.51 sec
-test 142
-        Start 142: pyShapeHelpers
-
-142: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
-142: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
-142: Test timeout computed to be: 1500
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
 141: ***********************************************************
 141: Testing ShapeHelpers
 141: 	---------------------------------
@@ -19716,83 +19723,80 @@
 141: 	 testGithub4364 
 141: 
 141: ***********************************************************
-129: [07:09:18]   done
-129: [07:09:18] -------------------------------------
-129: [07:09:18]     Test UFF multithreading3
-131/222 Test #141: testShapeHelpers .......................   Passed    0.05 sec
+130/222 Test #141: testShapeHelpers .......................   Passed    0.05 sec
+test 142
+        Start 142: pyShapeHelpers
+
+142: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
+142: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
+142: Test timeout computed to be: 1500
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+127: [03:13:11]   done
+127: [03:13:11] -------------------------------------
+127: [03:13:11]     Test MMFF multithreading3
+133: [03:13:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+132: building molecules
+132: generating reference data
+134: [03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+137: 945073453
+134: [03:13:11] Molecule does not have explicit Hs. Consider calling AddHs()
+142: .
+142: ----------------------------------------------------------------------
+142: Ran 1 test in 0.086s
+142: 
+142: OK
+142: Testing Shape Helpers wrapper
+129: [03:13:12]   done
+129: [03:13:12] -------------------------------------
+129: [03:13:12]     Test UFF multithreading3
+131/222 Test #142: pyShapeHelpers .........................   Passed    0.46 sec
 test 143
         Start 143: testMolCatalog
 
 143: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
 143: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog
 143: Test timeout computed to be: 1500
-132/222 Test #143: testMolCatalog .........................   Passed    0.02 sec
+132/222 Test #143: testMolCatalog .........................   Passed    0.04 sec
 test 144
         Start 144: pyMolCatalog
 
 144: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
 144: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
 144: Test timeout computed to be: 1500
-144: .
-144: ----------------------------------------------------------------------
-144: Ran 1 test in 0.006s
-144: 
-144: OK
-142: .
-142: ----------------------------------------------------------------------
-142: Ran 1 test in 0.039s
-142: 
-142: OK
-142: Testing Shape Helpers wrapper
-133/222 Test #144: pyMolCatalog ...........................   Passed    0.26 sec
+134: [03:13:12] Molecule does not have explicit Hs. Consider calling AddHs()
+127: [03:13:12]   done
+127: [03:13:12] -------------------------------------
+127: [03:13:12]     Testing github 162: Incorrect SMILES after MMFF parameterization .
+127: [03:13:12]   done
+127: [03:13:12] -------------------------------------
+127: [03:13:12]     Testing github 224: crash during MMFF parameterization .
+127: [03:13:12]   done
+127: [03:13:12] -------------------------------------
+127: [03:13:12]     Testing github6728: crash due to missing stretch-bend params.
+133/222 Test #127: testMMFFForceFieldHelpers ..............   Passed    2.43 sec
 test 145
         Start 145: moldraw2DTest1
 
 145: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1
 145: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 145: Test timeout computed to be: 1500
-134/222 Test #142: pyShapeHelpers .........................   Passed    0.31 sec
-test 146
-        Start 146: moldraw2DTestCatch
-
-146: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-146: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
-146: Test timeout computed to be: 1500
-134: [07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
 145:  ----------------- Test 1
-137: 1251473132
-146: Randomness seeded to: 3602979575
-146: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
 145: file test1_5.svg gave hash 2383324771U not the expected 2811480876U
 145:  Done
 145:  ----------------- Test 2
-146: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U
 145: file test2_1.png gave hash 1188732611U not the expected 307437906U
-146: file contourMol_2.svg gave hash 2850811663U not the expected 572669511U
 145: file test2_2.png gave hash 206445131U not the expected 610424244U
-146: file contourMol_3.svg gave hash 1894450507U not the expected 936771429U
-146: file contourMol_4.svg gave hash 1717526955U not the expected 3302971362U
-146: file contourMol_5.svg gave hash 1093404576U not the expected 2230414999U
-129: [07:09:18]   done
-129: [07:09:18] -------------------------------------
-129: [07:09:18]     Testing GitHubIssue62.
 145:  Done
 145:  ----------------- Test 4
-129: [07:09:18] beta-lactam 39.6387
-129: [07:09:18] cyclopropanone 174.698
-129: [07:09:18] aziridine 337.986
-134: [07:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-129: [07:09:18] aziridinone 115.248
+144: .
+144: ----------------------------------------------------------------------
+144: Ran 1 test in 0.006s
+144: 
+144: OK
 145: file test4_1.png gave hash 297807158U not the expected 1403972924U
-129: [07:09:18] isobutene 2.48217
 145:  Done
 145:  ----------------- Test 5
-129: [07:09:18] acetone 1.91788
-129: [07:09:18] cyclopentanone 10.1648
-129: [07:09:18] cyclopropene 99.4921
-129: [07:09:18] cyclobutene 41.0156
-129: [07:09:18] cyclopropane 267.236
-129: [07:09:18] gamma-lactam 15.7471
 145: file test5_1.png gave hash 1384886438U not the expected 1269428339U
 145: file test5_2.png gave hash 3891642937U not the expected 3073694291U
 145: file test5_3.png gave hash 442326768U not the expected 1865192682U
@@ -19800,109 +19804,112 @@
 145:  ----------------- Test 6 (atom labels)
 145:  Done
 145:  ----------------- Test 7 (backgrounds)
-129: [07:09:18] trans-2,3-diphenylcyclopropan-1-one 203.398
+134/222 Test #144: pyMolCatalog ...........................   Passed    0.24 sec
+test 146
+        Start 146: moldraw2DTestCatch
+
+146: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+146: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
+146: Test timeout computed to be: 1500
 145: file test7_1.png gave hash 2325902062U not the expected 3033050306U
-146: file testGithub3226_1.png gave hash 1140467476U not the expected 2350054896U
-146: file testGithub3226_2.png gave hash 1788850357U not the expected 606206725U
 145: file test7_2.png gave hash 3963123595U not the expected 3476380724U
 145:  Done
 145:  ----------------- Test8: PrepareMolDrawing
 145:  Done
 145:  ----------------- Test multi-threaded drawing
 145: reading molecules
-129: [07:09:18] cis-2,3-diphenylcyclopropan-1-one 206.852
+134: [03:13:12] Molecule does not have explicit Hs. Consider calling AddHs()
 145: generating reference drawings
+25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+145: processing
+145:  launch :0
+145:  launch :1
+145:  launch :2
+145:  launch :3
+146: Randomness seeded to: 1183845502
+146: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
+146: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U
+146: file contourMol_2.svg gave hash 2850811663U not the expected 572669511U
+146: file contourMol_3.svg gave hash 1894450507U not the expected 936771429U
+146: file contourMol_4.svg gave hash 1717526955U not the expected 3302971362U
+146: file contourMol_5.svg gave hash 1093404576U not the expected 2230414999U
+146: file testGithub3226_1.png gave hash 1140467476U not the expected 2350054896U
+146: file testGithub3226_2.png gave hash 1788850357U not the expected 606206725U
 146: file testGithub3226_3.png gave hash 2180602679U not the expected 2282880418U
 146: file testPNGMetadata_1.png gave hash 3955478692U not the expected 2423299691U
-129: [07:09:19] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
-129: [07:09:19] cyclopropylidencyclobutane 218.879
-129: [07:09:19] diphenylmethylidencyclobutane 79.6139
-129: [07:09:19]   done
-129: [07:09:19] -------------------------------------
-129: [07:09:19]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
-129: [07:09:19]   done
-129: [07:09:19] -------------------------------------
-129: [07:09:19]     Test square planar complexes
-129: [07:09:19]   done
-129: [07:09:19] -------------------------------------
-129: [07:09:19]     Test octahedral complexes
-129: [07:09:19]   done
+25: All 191 tests passed
+25:   done
+25: -------------------------------------
+25: Unit tests for all MMFF constraint terms.
+137: 578512207
 146: file testPNGMetadata_2.png gave hash 1862211480U not the expected 2803353117U
-135/222 Test #129: testUFFForceFieldHelpers ...............   Passed    2.68 sec
+137: ===============================================================================
+137: All tests passed (73 assertions in 3 test cases)
+137: 
+135/222 Test #137: molAlignCatchTest ......................   Passed    1.78 sec
 test 147
         Start 147: moldraw2DRxnTest1
 
 147: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
 147: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 147: Test timeout computed to be: 1500
-145: processing
-145:  launch :0
-145:  launch :1
-145:  launch :2
-145:  launch :3
-134: [07:09:19] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:12] Molecule does not have explicit Hs. Consider calling AddHs()
+25: 10.0003
 146: file testGithub3369_1.svg gave hash 1012801087U not the expected 3091976328U
-147:  ----------------- Test 1
-147: file rxn_test1_1.png gave hash 1121707892U not the expected 1556334749U
-147: file rxn_test1_2.png gave hash 1557885590U not the expected 1924084263U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+25:   done
+25: -------------------------------------
+25: Unit test for MMFF TorsionConstraint close to 0 degrees.
+25:   done
+25: -------------------------------------
+25: Unit tests for copying MMFF ForceFields.
+25:   done
+25: -------------------------------------
+25: Unit test for MMFF butane scan.
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 146: file testHandDrawn-1.svg gave hash 2072486955U not the expected 2253418236U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file rxn_test1_3.png gave hash 3006127285U not the expected 1644921059U
-147: file rxn_test1_4.png gave hash 326223573U not the expected 2471435686U
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147:  ----------------- Test 1
 146: file testHandDrawn-1.png gave hash 811421521U not the expected 698316547U
-147: file rxn_test1_5.png gave hash 1915733777U not the expected 1428782307U
-147: file rxn_test1_6.png gave hash 793678174U not the expected 483353696U
-134: [07:09:19] Molecule does not have explicit Hs. Consider calling AddHs()
-137: 310461576
-137: ===============================================================================
-137: All tests passed (73 assertions in 3 test cases)
-137: 
-136/222 Test #137: molAlignCatchTest ......................   Passed    1.75 sec
-test 148
-        Start 148: pyMolDraw2D
-
-148: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
-148: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
-148: Test timeout computed to be: 1500
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+129: [03:13:12]   done
+129: [03:13:12] -------------------------------------
+129: [03:13:12]     Testing GitHubIssue62.
 146: file testHandDrawn-2.svg gave hash 2224670338U not the expected 4132716144U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file rxn_test1_7.png gave hash 1232578493U not the expected 528963379U
-147: file rxn_test1_7.svg gave hash 798375802U not the expected 1881564163U
-147:  Done
-147:  ----------------- Test 2: some examples that caused problems in testing
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+129: [03:13:12] beta-lactam 39.6387
+129: [03:13:12] cyclopropanone 174.698
+129: [03:13:12] aziridine 337.986
+129: [03:13:12] aziridinone 115.248
+129: [03:13:12] isobutene 2.48217
+129: [03:13:12] acetone 1.91788
+129: [03:13:12] cyclopentanone 10.1648
+129: [03:13:12] cyclopropene 99.4921
+129: [03:13:12] cyclobutene 41.0156
 146: file testHandDrawn-2.png gave hash 928126416U not the expected 1605553248U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 146: file testHandDrawn-3.svg gave hash 633044862U not the expected 4199337510U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file rxn_test2_1.png gave hash 160703765U not the expected 399415052U
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file rxn_test1_1.png gave hash 1121707892U not the expected 1556334749U
+129: [03:13:12] cyclopropane 267.236
+129: [03:13:12] gamma-lactam 15.7471
 146: file testHandDrawn-3.png gave hash 2410179907U not the expected 2881952238U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 146: file testHandDrawn-4.svg gave hash 2180320567U not the expected 4197407865U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
+146: [03:13:12] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:12] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 146: file testHandDrawn-4.png gave hash 1714306199U not the expected 3431655453U
-147: file rxn_test2_2_1.png gave hash 4057570363U not the expected 1215378243U
-147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
-147: file rxn_test2_2_2.png gave hash 362458924U not the expected 3645141778U
-147: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
-147: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
-147: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
-134: [07:09:19] Molecule does not have explicit Hs. Consider calling AddHs()
-147: file rxn_test2_2_3.png gave hash 1657316579U not the expected 551946805U
-147: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
-147: file rxn_test2_2_4.png gave hash 2796626100U not the expected 4234617566U
-147:  Done
-147:  ----------------- Test 3: test reactant highlighting
+129: [03:13:12] trans-2,3-diphenylcyclopropan-1-one 203.398
+134: [03:13:12] Molecule does not have explicit Hs. Consider calling AddHs()
+147: file rxn_test1_2.png gave hash 1557885590U not the expected 1924084263U
+129: [03:13:12] cis-2,3-diphenylcyclopropan-1-one 206.852
+147: file rxn_test1_3.png gave hash 3006127285U not the expected 1644921059U
 136: ***********************************************************
 136: Testing O3AAlign
 136: 	---------------------------------
@@ -19933,28 +19940,94 @@
 136: 	 testMMFFO3A multithreading
 136: 
 136: generating reference data
+129: [03:13:12] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
+129: [03:13:12] cyclopropylidencyclobutane 218.879
+147: file rxn_test1_4.png gave hash 326223573U not the expected 2471435686U
+147: file rxn_test1_5.png gave hash 1915733777U not the expected 1428782307U
+129: [03:13:12] diphenylmethylidencyclobutane 79.6139
+129: [03:13:12]   done
+129: [03:13:12] -------------------------------------
+129: [03:13:12]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
+129: [03:13:12]   done
+129: [03:13:12] -------------------------------------
+129: [03:13:12]     Test square planar complexes
+129: [03:13:12]   done
+129: [03:13:12] -------------------------------------
+129: [03:13:12]     Test octahedral complexes
+129: [03:13:12]   done
+136/222 Test #129: testUFFForceFieldHelpers ...............   Passed    2.84 sec
+test 148
+        Start 148: pyMolDraw2D
+
+148: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
+148: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
+148: Test timeout computed to be: 1500
+147: file rxn_test1_6.png gave hash 793678174U not the expected 483353696U
+147: file rxn_test1_7.png gave hash 1232578493U not the expected 528963379U
+147: file rxn_test1_7.svg gave hash 798375802U not the expected 1881564163U
+147:  Done
+147:  ----------------- Test 2: some examples that caused problems in testing
+25:   done
+137/222 Test  #25: testMMFFForceField .....................   Passed   11.06 sec
+test 149
+        Start 149: testFMCS
+
+149: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCS
+149: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS
+149: Test timeout computed to be: 1500
+147: file rxn_test2_1.png gave hash 160703765U not the expected 399415052U
+147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
+147: file rxn_test2_2_1.png gave hash 4057570363U not the expected 1215378243U
+147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
+147: file rxn_test2_2_2.png gave hash 362458924U not the expected 3645141778U
+147: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
+147: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
+147: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
+146: file testHandDrawn-5a.svg gave hash 3172919116U not the expected 3628607349U
+146: [03:13:13] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:13] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file rxn_test2_2_3.png gave hash 1657316579U not the expected 551946805U
+146: file testHandDrawn-5b.svg gave hash 3290430369U not the expected 2522138089U
+146: [03:13:13] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+146: [03:13:13] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
+147: file rxn_test2_2_4.png gave hash 2796626100U not the expected 4234617566U
+146: file testHandDrawn-5.png gave hash 2408781090U not the expected 3439548169U
+146: file testBrackets-5a.svg gave hash 4023768529U not the expected 3061667963U
+147:  Done
+147:  ----------------- Test 3: test reactant highlighting
+146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
+146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
+146: file testPositionVariation-1b.svg gave hash 823876785U not the expected 174339626U
 147: file rxn_test3_1.png gave hash 3699939964U not the expected 4176857511U
 147: file rxn_test3_1.svg gave hash 1959543526U not the expected 2165658826U
 147:  Done
 147:  ----------------- Test 4: some examples from SMARTS in testing
 147: draw!
+146: [03:13:13] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U
+146: file testGithub4238_1.png gave hash 1562907664U not the expected 3410617836U
+146: file testGithub4323_1.png gave hash 3600756148U not the expected 3723958844U
 147: file rxn_test4_1.png gave hash 1897728811U not the expected 4187207676U
 147: file rxn_test4_1.svg gave hash 2683567127U not the expected 3239755313U
 147:  done
-134: [07:09:19] Molecule does not have explicit Hs. Consider calling AddHs()
 147: file rxn_test4_2.png gave hash 3724924058U not the expected 3490081297U
 147: file rxn_test4_2.svg gave hash 4278906476U not the expected 4127054729U
 147:  Done
-137/222 Test #147: moldraw2DRxnTest1 ......................   Passed    0.44 sec
-test 149
-        Start 149: testFMCS
+138/222 Test #147: moldraw2DRxnTest1 ......................   Passed    0.64 sec
+test 150
+        Start 150: pyFMCS
 
-149: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCS
-149: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS
-149: Test timeout computed to be: 1500
-148: ...[07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
-148: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-148: ..........[07:09:19] 
+150: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/testFMCS.py"
+150: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap
+150: Test timeout computed to be: 1500
+136: processing
+136:  launch :0
+136:  launch :1
+136:  launch :2
+136:  launch :3
+148: ...[03:13:13] Font file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
+148: [03:13:13] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+148: ..........[03:13:13] 
 148: 
 148: ****
 148: Pre-condition Violation
@@ -19963,57 +20036,14 @@
 148: Failed Expression: m
 148: ****
 148: 
-25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
 148: .....................
 148: ----------------------------------------------------------------------
-148: Ran 34 tests in 0.137s
+148: Ran 34 tests in 0.200s
 148: 
 148: OK
 148: json lasso
-132: validating reference data
-146: file testHandDrawn-5a.svg gave hash 3172919116U not the expected 3628607349U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-138/222 Test #148: pyMolDraw2D ............................   Passed    0.60 sec
-test 150
-        Start 150: pyFMCS
-
-150: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/testFMCS.py"
-150: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap
-150: Test timeout computed to be: 1500
-146: file testHandDrawn-5b.svg gave hash 3290430369U not the expected 2522138089U
-146: [07:09:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-146: [07:09:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-134: .[07:09:19] Molecule does not have explicit Hs. Consider calling AddHs()
-25: All 191 tests passed
-25:   done
-25: -------------------------------------
-25: Unit tests for all MMFF constraint terms.
-146: file testHandDrawn-5.png gave hash 2408781090U not the expected 3439548169U
-146: file testBrackets-5a.svg gave hash 4023768529U not the expected 3061667963U
-136: processing
-136:  launch :0
-136:  launch :1
-136:  launch :2
-136:  launch :3
-146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
-25: 10.0003
-146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
-146: file testPositionVariation-1b.svg gave hash 823876785U not the expected 174339626U
-25:   done
-25: -------------------------------------
-25: Unit test for MMFF TorsionConstraint close to 0 degrees.
-25:   done
-25: -------------------------------------
-25: Unit tests for copying MMFF ForceFields.
-25:   done
-25: -------------------------------------
-25: Unit test for MMFF butane scan.
-146: [07:09:20] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U
-146: file testGithub4238_1.png gave hash 1562907664U not the expected 3410617836U
-146: file testGithub4323_1.png gave hash 3600756148U not the expected 3723958844U
-25:   done
-139/222 Test  #25: testMMFFForceField .....................   Passed   10.06 sec
+134: .[03:13:13] Molecule does not have explicit Hs. Consider calling AddHs()
+139/222 Test #148: pyMolDraw2D ............................   Passed    0.83 sec
 test 151
         Start 151: FMCStest
 
@@ -21985,14 +22015,16 @@
 151: 
 151: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
 151: ERROR: RDKit could not load input file
-140/222 Test #151: FMCStest ...............................   Passed    0.06 sec
+140/222 Test #151: FMCStest ...............................   Passed    0.05 sec
 test 152
         Start 152: molHashCatchTest
 
 152: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
 152: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash
 152: Test timeout computed to be: 1500
-152: Randomness seeded to: 3133176371
+146: file testGithub4323_3.png gave hash 1951856443U not the expected 2185913679U
+146: [03:13:13] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+152: Randomness seeded to: 2886718140
 152: ===============================================================================
 152: All tests passed (304 assertions in 9 test cases)
 152: 
@@ -22003,28 +22035,114 @@
 153: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/testMolHash.py"
 153: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap
 153: Test timeout computed to be: 1500
-146: file testGithub4323_3.png gave hash 1951856443U not the expected 2185913679U
-146: [07:09:20] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+132: validating reference data
+146: file testFlexiCanvas.2a.png gave hash 3809318030U not the expected 3217758043U
+146: file testFlexiCanvas.2b.png gave hash 1941040420U not the expected 4070063910U
+146: file testFlexiCanvas.3.svg gave hash 3867616289U not the expected 2819587550U
+146: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
+146: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
+146: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
+146: file testGithub4764.sz1.png gave hash 1936053216U not the expected 98827714U
+146: file testGithub4764.sz2.png gave hash 518440428U not the expected 89252465U
+146: file testGithub4764.sz3.png gave hash 1437648833U not the expected 148503574U
+146: file testGithub_5061.svg gave hash 4026821599U not the expected 83338095U
+146: file github5383_1.svg gave hash 2850811663U not the expected 3666750661U
+146: file github5383_2.svg gave hash 1346330069U not the expected 0U
+146: file github5383_1.png gave hash 3128184037U not the expected 992803933U
+146: file acs1996_1.png gave hash 1346742279U not the expected 2957839025U
+146: file acs1996_2.png gave hash 806461087U not the expected 2664798808U
 153: ...
 153: ----------------------------------------------------------------------
-153: Ran 3 tests in 0.024s
+153: Ran 3 tests in 0.006s
 153: 
 153: OK
-142/222 Test #153: pyMolHash ..............................   Passed    0.58 sec
+146: file acs1996_3.svg gave hash 3058522544U not the expected 879041204U
+146: [03:13:14] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
+142/222 Test #153: pyMolHash ..............................   Passed    0.42 sec
 test 154
         Start 154: testMMPA
 
 154: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/testMMPA
 154: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA
 154: Test timeout computed to be: 1500
-146: file testFlexiCanvas.2a.png gave hash 3809318030U not the expected 3217758043U
-146: file testFlexiCanvas.2b.png gave hash 1941040420U not the expected 4070063910U
+146: file bond_highlights_8.svg gave hash 682598716U not the expected 2956924065U
+149: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
+149: Time elapsed 0.008 seconds
+149: 
+149:  test32()
+149: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
+149: Time elapsed 0.052 seconds
+149: 
+149:  test190()
+149: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
+149: Time elapsed 0.008 seconds
+149: 
+149:  test3()
+149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
+149: Time elapsed 0.010 seconds
+149: 
+149: testSimpleFast()
+149: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
+149: Time elapsed 0.086 seconds
+149: 
+149: testSimple()
+149: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+149: Time elapsed 0.077 seconds
+149: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+149: Time elapsed 0.096 seconds
+149: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+149: Time elapsed 0.096 seconds
+149: 
+149: testSegFault()
+149: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+149: Time elapsed 0.008 seconds
+149: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+149: Time elapsed 0.010 seconds
+149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
+149: Time elapsed 0.014 seconds
+149: 
+149: testThreshold()
+149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testRing1()
+149: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
+149: Time elapsed 0.281 seconds
+149: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
+149: Time elapsed 0.167 seconds
+149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
+149: Time elapsed 0.302 seconds
+149: 
+149: testAtomCompareIsotopes()
+149: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testAtomCompareAnyAtom()
+149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testAtomCompareAnyAtom()
+149: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testAtomCompareAnyAtom()
+149: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testAtomCompareAnyAtom()
+149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
+149: Time elapsed 0.000 seconds
+149: 
+149: testJnk1LigandsDistance()
+149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
+149: Time elapsed 0.008 seconds
+149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
+146: file test_github6112.svg gave hash 3865338574U not the expected 3278777629U
 154: 
 154: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-154: Time elapsed 0.002725 seconds
+154: Time elapsed 0.001636 seconds
 154:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 154:  1: NOREF. Reference data NOT LISTED in test case.
-146: file testFlexiCanvas.3.svg gave hash 3867616289U not the expected 2819587550U
 154:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
 154:  2: NOREF. Reference data NOT LISTED in test case.
 154:  3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
@@ -22063,7 +22181,7 @@
 154:  --- UNMATCHED Reference RESULTS: --- 
 154:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 154:  -----------------------------------
-154: Time elapsed 0.001468 seconds
+154: Time elapsed 0.001344 seconds
 154: 
 154: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
 154:    1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
@@ -22105,7 +22223,7 @@
 154:  -----------------------------------
 154: 
 154: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
-154: Time elapsed 0.001416 seconds
+154: Time elapsed 0.001338 seconds
 154:  1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 154:  1: PASSED. matchedRefRes = 4
 154:  2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
@@ -22145,7 +22263,7 @@
 154:  -----------------------------------
 154: 
 154: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
-154: Time elapsed 0.000475 seconds
+154: Time elapsed 0.000410 seconds
 154:  1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
 154:  1: PASSED. matchedRefRes = 2
 154:  2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
@@ -22167,7 +22285,7 @@
 154:  -----------------------------------
 154: 
 154: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-154: Time elapsed 0.001475 seconds
+154: Time elapsed 0.001494 seconds
 154:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 154:  1: NOREF. Reference data NOT LISTED in test case.
 154:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -22210,13 +22328,15 @@
 154:  -----------------------------------
 154: 
 154: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
-154: Time elapsed 0.001672 seconds
+154: Time elapsed 0.001514 seconds
 154:  1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
 154:  1: NOREF. Reference data NOT LISTED in test case.
 154:  2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
 154:  2: NOREF. Reference data NOT LISTED in test case.
 154:  3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1
 154:  3: NOREF. Reference data NOT LISTED in test case.
+146: file github6504_1.svg gave hash 3649936662U not the expected 1429448598U
+146: file github6504_2.svg gave hash 106020287U not the expected 2871662880U
 154:  4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1
 154:  4: NOREF. Reference data NOT LISTED in test case.
 154:  5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1
@@ -22247,121 +22367,45 @@
 154: 17: NOREF. Reference data NOT LISTED in test case.
 154: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1
 154: 18: NOREF. Reference data NOT LISTED in test case.
+146: file github6569_1.svg gave hash 1698514747U not the expected 116573839U
+146: file github6569_2.svg gave hash 2778768241U not the expected 2367779037U
 154: 
 154:  --- ALL PASSED --- 
 154:  -----------------------------------
 154: 5 TEST CASES FAILED 
-143/222 Test #154: testMMPA ...............................   Passed    0.15 sec
+143/222 Test #154: testMMPA ...............................   Passed    0.14 sec
 test 155
         Start 155: pyMMPA
 
 155: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap/testMMPA.py"
 155: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap
 155: Test timeout computed to be: 1500
-146: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
-146: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
-146: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
-146: file testGithub4764.sz1.png gave hash 1936053216U not the expected 98827714U
-149: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149:  test32()
-149: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
-149: Time elapsed 0.085 seconds
-149: 
-149:  test190()
-149: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
-149: Time elapsed 0.010 seconds
-149: 
-149:  test3()
-149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
-149: Time elapsed 0.016 seconds
-149: 
-149: testSimpleFast()
-149: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
-149: Time elapsed 0.147 seconds
-149: 
-149: testSimple()
-149: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-149: Time elapsed 0.092 seconds
-149: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-149: Time elapsed 0.144 seconds
-149: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-149: Time elapsed 0.113 seconds
-149: 
-149: testSegFault()
-149: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-149: Time elapsed 0.012 seconds
-149: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-149: Time elapsed 0.014 seconds
-149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
-149: Time elapsed 0.009 seconds
-149: 
-149: testThreshold()
-149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testRing1()
-149: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-149: Time elapsed 0.281 seconds
-149: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-149: Time elapsed 0.265 seconds
-149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
-149: Time elapsed 0.523 seconds
-149: 
-149: testAtomCompareIsotopes()
-149: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testAtomCompareAnyAtom()
-149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testAtomCompareAnyAtom()
-149: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testAtomCompareAnyAtom()
-149: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testAtomCompareAnyAtom()
-149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
-149: Time elapsed 0.000 seconds
-149: 
-149: testJnk1LigandsDistance()
-149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
-149: Time elapsed 0.012 seconds
-149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
-146: file testGithub4764.sz2.png gave hash 518440428U not the expected 89252465U
-146: file testGithub4764.sz3.png gave hash 1437648833U not the expected 148503574U
-146: file testGithub_5061.svg gave hash 4026821599U not the expected 83338095U
-146: file github5383_1.svg gave hash 2850811663U not the expected 3666750661U
-146: file github5383_2.svg gave hash 1346330069U not the expected 0U
-146: file github5383_1.png gave hash 3128184037U not the expected 992803933U
-146: file acs1996_1.png gave hash 1346742279U not the expected 2957839025U
-146: file acs1996_2.png gave hash 806461087U not the expected 2664798808U
-146: file acs1996_3.svg gave hash 3058522544U not the expected 879041204U
-146: [07:09:21] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
-149: Time elapsed 0.009 seconds
+146: file lasso_highlights_1.svg gave hash 2411984833U not the expected 689837467U
+146: file lasso_highlights_2.svg gave hash 1109702647U not the expected 348394942U
+146: file lasso_highlights_3.svg gave hash 2940545227U not the expected 2174136207U
+146: file lasso_highlights_4.svg gave hash 3276894790U not the expected 1265047504U
+146: file lasso_highlights_5.svg gave hash 2028645321U not the expected 35778943U
+146: file lasso_highlights_6.svg gave hash 1732575234U not the expected 1359376880U
+146: file lasso_highlights_7.svg gave hash 1593492996U not the expected 773081917U
+149: Time elapsed 0.001 seconds
 149: 
 149: test18()
 149: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1
 149: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds
-149: Time elapsed 0.012 seconds
+149: Time elapsed 0.011 seconds
 149: 
 149: test504()
 149: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1
 149: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds
-149: Time elapsed 0.115 seconds
+149: Time elapsed 0.110 seconds
 149: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-149: Time elapsed 0.001 seconds
+149: Time elapsed 0.000 seconds
 149: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds
-149: Time elapsed 0.035 seconds
+149: Time elapsed 0.034 seconds
 149: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
-149: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0006 seconds. bond[0]=6
+149: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0005 seconds. bond[0]=6
 149: STATISTICS:
-149: Total Growing Steps  = 1, MCS found on 1 step, for 0.0006 seconds
+149: Total Growing Steps  = 1, MCS found on 1 step, for 0.0005 seconds
 149: Initial   Seeds      = 1,  Mismatched 0
 149: Inspected Seeds      = 2
 149: Rejected by BestSize = 0
@@ -22476,68 +22520,79 @@
 149: res sub = 1 size=3
 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
 149: 	done
-146: file bond_highlights_8.svg gave hash 682598716U not the expected 2956924065U
-146: file test_github6112.svg gave hash 3865338574U not the expected 3278777629U
-146: file github6504_1.svg gave hash 3649936662U not the expected 1429448598U
-146: file github6504_2.svg gave hash 106020287U not the expected 2871662880U
-146: file github6569_1.svg gave hash 1698514747U not the expected 116573839U
-146: file github6569_2.svg gave hash 2778768241U not the expected 2367779037U
-146: file lasso_highlights_1.svg gave hash 2411984833U not the expected 689837467U
-146: file lasso_highlights_2.svg gave hash 1109702647U not the expected 348394942U
-146: file lasso_highlights_3.svg gave hash 2940545227U not the expected 2174136207U
-146: file lasso_highlights_4.svg gave hash 3276894790U not the expected 1265047504U
-146: file lasso_highlights_5.svg gave hash 2028645321U not the expected 35778943U
-146: file lasso_highlights_6.svg gave hash 1732575234U not the expected 1359376880U
-146: file lasso_highlights_7.svg gave hash 1593492996U not the expected 773081917U
 146: file bad_lasso_1.svg gave hash 1431427975U not the expected 1183031575U
 146: ===============================================================================
 146: All tests passed (6525 assertions in 94 test cases)
 146: 
-144/222 Test #146: moldraw2DTestCatch .....................   Passed    3.13 sec
+144/222 Test #146: moldraw2DTestCatch .....................   Passed    2.10 sec
 test 156
         Start 156: testRascalMCES
 
 156: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
 156: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
 156: Test timeout computed to be: 1500
+149: [03:13:15] The provided InitialSeed is not an MCS and will be ignored
+155: .........
+155: ----------------------------------------------------------------------
+155: Ran 9 tests in 1.199s
+155: 
+155: OK
+145/222 Test #155: pyMMPA .................................   Passed    1.50 sec
+test 157
+        Start 157: testRascalCluster
+
+157: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
+157: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
+157: Test timeout computed to be: 1500
 132: processing
 132:  launch :0
 132:  launch :1
 132:  launch :2
 132:  launch :3
-150: ........................................[07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-149: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: .[07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: .[07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: .[07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
-150: [07:09:22] The provided InitialSeed is not an MCS and will be ignored
+134: ..[03:13:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+150: ........................................[03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: .[03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:16] The provided InitialSeed is not an MCS and will be ignored
+150: .[03:13:17] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:17] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:17] The provided InitialSeed is not an MCS and will be ignored
+150: .[03:13:17] The provided InitialSeed is not an MCS and will be ignored
+150: [03:13:17] The provided InitialSeed is not an MCS and will be ignored
+138: .............[03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
+150: [03:13:17] The provided InitialSeed is not an MCS and will be ignored
 150: .................
 150: ----------------------------------------------------------------------
-150: Ran 60 tests in 2.703s
+150: Ran 60 tests in 3.501s
 150: 
 150: OK
-145/222 Test #150: pyFMCS .................................   Passed    3.13 sec
-test 157
-        Start 157: testRascalCluster
+146/222 Test #150: pyFMCS .................................   Passed    3.98 sec
+test 158
+        Start 158: pyMolDraw2D
 
-157: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
-157: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
-157: Test timeout computed to be: 1500
+158: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
+158: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
+158: Test timeout computed to be: 1500
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145:  Done
 145:  ----------------- Test Github #781: Rendering single-atom molecules
 145:  Done
 145:  ----------------- Test 3
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145: file test3_1.png gave hash 312151313U not the expected 3984824963U
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145: file test3_2.png gave hash 2567824136U not the expected 238321316U
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145: file test3_3.png gave hash 527793981U not the expected 414888185U
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145: file test3_4.png gave hash 1225446657U not the expected 2265825690U
+138: [03:13:17] Molecule does not have explicit Hs. Consider calling AddHs()
 145: file test3_5.png gave hash 4191147962U not the expected 1911551403U
 145: file test3_6.png gave hash 628781660U not the expected 577293879U
 145: file test3_7.png gave hash 765801686U not the expected 248355372U
@@ -22579,21 +22634,9 @@
 145: file test10_6.svg gave hash 2996130233U not the expected 961103536U
 145:  Done
 145:  ----------------- Testing drawing a grid of molecules
-155: .........
-155: ----------------------------------------------------------------------
-155: Ran 9 tests in 1.698s
-155: 
-155: OK
 145:  Done
 145:  ----------------- Testing drawMolecules
 145: file test12_1.svg gave hash 2982175789U not the expected 881731720U
-146/222 Test #155: pyMMPA .................................   Passed    2.32 sec
-test 158
-        Start 158: pyMolDraw2D
-
-158: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
-158: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
-158: Test timeout computed to be: 1500
 145:  Done
 145:  ----------------- Test JSON Configuration
 145:  Done
@@ -22638,6 +22681,8 @@
 145: file test20_4.png gave hash 1903980179U not the expected 2803490234U
 145:  Done
 145:  ----------------- Test 21 - different font
+145: [03:13:17] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/No_Such_Font_File.ttf not found.
+145: [03:13:17] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 145: Done
 145:  ----------------- Test 22 - draw explicit methyls.
 145: Done
@@ -22663,37 +22708,36 @@
 145:  Done
 145:  ----------------- Test AND queries
 145:  Done
-147/222 Test #145: moldraw2DTest1 .........................   Passed    5.22 sec
+147/222 Test #145: moldraw2DTest1 .........................   Passed    5.64 sec
 test 159
         Start 159: testCIPLabeler
 
 159: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
 159: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler
 159: Test timeout computed to be: 1500
-159: Randomness seeded to: 1277703035
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
-159: [07:09:24] non kekulizable aromatic bond being treated as bond order 1
+159: Randomness seeded to: 275379642
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
+159: [03:13:17] non kekulizable aromatic bond being treated as bond order 1
 159: ===============================================================================
 159: All tests passed (5977 assertions in 13 test cases)
 159: 
-148/222 Test #159: testCIPLabeler .........................   Passed    0.19 sec
+148/222 Test #159: testCIPLabeler .........................   Passed    0.27 sec
 test 160
         Start 160: pyCIPLabelsWrapTest
 
 160: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
 160: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
 160: Test timeout computed to be: 1500
-134: ..[07:09:24] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 160: ...
 160: ----------------------------------------------------------------------
-160: Ran 3 tests in 0.039s
+160: Ran 3 tests in 0.005s
 160: 
 160: OK
-149/222 Test #160: pyCIPLabelsWrapTest ....................   Passed    0.80 sec
+149/222 Test #160: pyCIPLabelsWrapTest ....................   Passed    0.27 sec
 test 161
         Start 161: pyCIPLabelsValidation
 
@@ -22702,21 +22746,21 @@
 161: Test timeout computed to be: 1500
 158: ........
 158: ----------------------------------------------------------------------
-158: Ran 8 tests in 1.551s
+158: Ran 8 tests in 1.085s
 158: 
 158: OK
-150/222 Test #158: pyMolDraw2D ............................   Passed    2.18 sec
+150/222 Test #158: pyMolDraw2D ............................   Passed    1.38 sec
 test 162
         Start 162: deprotectTest
 
 162: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
 162: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect
 162: Test timeout computed to be: 1500
-162: Randomness seeded to: 3074934240
+162: Randomness seeded to: 460377965
 162: ===============================================================================
 162: All tests passed (111 assertions in 3 test cases)
 162: 
-151/222 Test #162: deprotectTest ..........................   Passed    0.08 sec
+151/222 Test #162: deprotectTest ..........................   Passed    0.10 sec
 test 163
         Start 163: pyDeprotect
 
@@ -22725,7 +22769,7 @@
 163: Test timeout computed to be: 1500
 163: .....
 163: ----------------------------------------------------------------------
-163: Ran 5 tests in 0.025s
+163: Ran 5 tests in 0.019s
 163: 
 163: OK
 163: Testing tert-butyldimethylsilyl
@@ -22778,7 +22822,7 @@
 163: Testing acetamide
 163: Testing carbobenzyloxy
 163: Testing Acetal/Ketal
-152/222 Test #163: pyDeprotect ............................   Passed    0.44 sec
+152/222 Test #163: pyDeprotect ............................   Passed    0.22 sec
 test 164
         Start 164: testReducedGraphs
 
@@ -22803,27 +22847,16 @@
 164: 
 164: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
 164: 
-153/222 Test #164: testReducedGraphs ......................   Passed    0.03 sec
+153/222 Test #164: testReducedGraphs ......................   Passed    0.02 sec
 test 165
         Start 165: pyReducedGraphs
 
 165: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
 165: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
 165: Test timeout computed to be: 1500
-138: .............[07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:26] Molecule does not have explicit Hs. Consider calling AddHs()
 165: .....
 165: ----------------------------------------------------------------------
-165: Ran 5 tests in 0.009s
+165: Ran 5 tests in 0.007s
 165: 
 165: OK
 154/222 Test #165: pyReducedGraphs ........................   Passed    0.21 sec
@@ -22833,67 +22866,80 @@
 166: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
 166: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory
 166: Test timeout computed to be: 1500
-155/222 Test #166: trajectoryTest .........................   Passed    0.30 sec
-test 167
-        Start 167: substructLibraryTest
-
-167: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
-167: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
-167: Test timeout computed to be: 1500
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Test1
-167: [07:09:27]   done
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Test2
-167: [07:09:27]   done
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Test3 (stereo options)
-167: [07:09:27]     Done (stereo options)
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Test4 (trusted smiles)
-167: [07:09:27]     Done (trusted smiles)
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Testing C++ docs
-167: [07:09:27]     Done (C++ doc tests)
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Testing C++ ring query: PatternHolder
-167: [07:09:27]     Done (C++ ring query tests)
-167: [07:09:27] -------------------------------------
-167: [07:09:27]     Testing C++ ring query: TautomerPatternHolder
-167: [07:09:27]     Done (C++ ring query tests)
-167: [07:09:27] -------------------------------------
-167: [07:09:27]    Add Patterns 
-157: Randomness seeded to: 2509680382
+138: ...[03:13:19] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:19] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:19] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:19] Molecule does not have explicit Hs. Consider calling AddHs()
+138: [03:13:19] Molecule does not have explicit Hs. Consider calling AddHs()
+157: Randomness seeded to: 1968325906
 157: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
-138: ...[07:09:27] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:27] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:27] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:27] Molecule does not have explicit Hs. Consider calling AddHs()
-138: [07:09:27] Molecule does not have explicit Hs. Consider calling AddHs()
 138: ...
 138: ----------------------------------------------------------------------
-138: Ran 19 tests in 9.611s
+138: Ran 19 tests in 8.261s
 138: 
 138: OK
 138: Testing MolAlign Wrappers
-156/222 Test #138: pyMolAlign .............................   Passed   10.03 sec
+155/222 Test #166: trajectoryTest .........................   Passed    0.33 sec
+test 167
+        Start 167: substructLibraryTest
+
+167: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
+167: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
+167: Test timeout computed to be: 1500
+156/222 Test #138: pyMolAlign .............................   Passed    8.56 sec
 test 168
         Start 168: substructLibraryCatchTest
 
 168: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
 168: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
 168: Test timeout computed to be: 1500
-168: Randomness seeded to: 2092500967
-168: ===============================================================================
-168: All tests passed (171 assertions in 5 test cases)
-168: 
-157/222 Test #168: substructLibraryCatchTest ..............   Passed    0.79 sec
+167: [03:13:19] -------------------------------------
+167: [03:13:19]     Test1
+167: [03:13:19]   done
+167: [03:13:19] -------------------------------------
+167: [03:13:19]     Test2
+29: [03:13:19] Finished
+29: [03:13:19] -------------------------------------
+29: [03:13:19]     Test github1843: RWMol.clear() should not destroy ring pointer.
+29: [03:13:19] Finished
+157/222 Test  #29: graphmolTest1 ..........................   Passed   17.32 sec
 test 169
         Start 169: pySubstructLibrary
 
 169: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
 169: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
 169: Test timeout computed to be: 1500
+167: [03:13:20]   done
+167: [03:13:20] -------------------------------------
+167: [03:13:20]     Test3 (stereo options)
+167: [03:13:20]     Done (stereo options)
+167: [03:13:20] -------------------------------------
+167: [03:13:20]     Test4 (trusted smiles)
+167: [03:13:20]     Done (trusted smiles)
+167: [03:13:20] -------------------------------------
+167: [03:13:20]     Testing C++ docs
+167: [03:13:20]     Done (C++ doc tests)
+167: [03:13:20] -------------------------------------
+167: [03:13:20]     Testing C++ ring query: PatternHolder
+167: [03:13:20]     Done (C++ ring query tests)
+167: [03:13:20] -------------------------------------
+167: [03:13:20]     Testing C++ ring query: TautomerPatternHolder
+167: [03:13:20]     Done (C++ ring query tests)
+167: [03:13:20] -------------------------------------
+167: [03:13:20]    Add Patterns 
+168: Randomness seeded to: 682989077
+168: ===============================================================================
+168: All tests passed (171 assertions in 5 test cases)
+168: 
+158/222 Test #168: substructLibraryCatchTest ..............   Passed    1.19 sec
+test 170
+        Start 170: testRGroupDecomp
+
+170: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
+170: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
+170: Test timeout computed to be: 1500
+170: [03:13:20] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
+170: [03:13:20] WARNING: not removing hydrogen atom with dummy atom neighbors
 161: VS001: PASSED
 161: VS002: PASSED
 161: VS003: PASSED
@@ -23196,540 +23242,113 @@
 161: VS300: PASSED
 161: Check finished: 0 molecules failed.
 161: Failed: 
-158/222 Test #161: pyCIPLabelsValidation ..................   Passed    5.07 sec
-test 170
-        Start 170: testRGroupDecomp
-
-170: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
-170: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
-170: Test timeout computed to be: 1500
-167: [07:09:30] -------------------------------------
-167: [07:09:30]    testing PatternHolder
-170: [07:09:30] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
-170: [07:09:30] WARNING: not removing hydrogen atom with dummy atom neighbors
-167: [07:09:30] -------------------------------------
-167: [07:09:30]    testing TautomerPatternHolder
-167: [07:09:30] -------------------------------------
-167: [07:09:30]    testSegFaultInHolder
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: dsafsdf[07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: '
-167: [07:09:30] SMILES Parse Error: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: 
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:30] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:30] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: syntax error[07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167:  while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf[07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: 
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: SMILES Parse Error: syntax error[07:09:31] Failed parsing SMILES 'dsafsdf' for input: ' while parsing: SMILESdsafsdfdsafsdf
-167:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: '
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] SMILES Parse Error: syntax error while parsing: dsafsdf
-167: [07:09:31] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-167: [07:09:31] -------------------------------------
-167: [07:09:31]    Results do not depend on numThreads 
-136: 	---------------------------------
-136: 	 test O3A multithreading bug
-136: 
-136: 	---------------------------------
-136: 	 testCrippenO3A multithreading
-136: 
-136: generating reference data
-136: processing
-136:  launch :0
-136:  launch :1
-136:  launch :2
-136:  launch :3
-156: Randomness seeded to: 4281870766
-156: Timed out after 11 seconds.
-170: iterative
-170: bulk
-149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-149: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-149: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-149: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-149: TOTAL Time elapsed 14.17 seconds
-159/222 Test #149: testFMCS ...............................   Passed   14.28 sec
+159/222 Test #161: pyCIPLabelsValidation ..................   Passed    4.75 sec
 test 171
         Start 171: testRGroupDecompInternals
 
 171: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
 171: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
 171: Test timeout computed to be: 1500
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-171: [07:09:33] WARNING: not removing hydrogen atom with dummy atom neighbors
-160/222 Test #171: testRGroupDecompInternals ..............   Passed    0.04 sec
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+171: [03:13:23] WARNING: not removing hydrogen atom with dummy atom neighbors
+160/222 Test #171: testRGroupDecompInternals ..............   Passed    0.06 sec
 test 172
         Start 172: rgroupCatchTests
 
 172: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
 172: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
 172: Test timeout computed to be: 1500
-172: Randomness seeded to: 3490270686
+170: iterative
+172: Randomness seeded to: 2411705293
 172: ===============================================================================
 172: All tests passed (203 assertions in 13 test cases)
 172: 
-161/222 Test #172: rgroupCatchTests .......................   Passed    0.31 sec
+161/222 Test #172: rgroupCatchTests .......................   Passed    0.32 sec
 test 173
         Start 173: pyRGroupDecomposition
 
 173: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
 173: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
 173: Test timeout computed to be: 1500
-29: [07:09:34] Finished
-29: [07:09:34] -------------------------------------
-29: [07:09:34]     Test github1843: RWMol.clear() should not destroy ring pointer.
-29: [07:09:34] Finished
-162/222 Test  #29: graphmolTest1 ..........................   Passed   23.76 sec
+170: bulk
+136: 	---------------------------------
+136: 	 test O3A multithreading bug
+136: 
+136: 	---------------------------------
+136: 	 testCrippenO3A multithreading
+136: 
+136: generating reference data
+149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+149: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+149: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+149: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+149: TOTAL Time elapsed 11.04 seconds
+162/222 Test #149: testFMCS ...............................   Passed   11.09 sec
 test 174
         Start 174: molInterchangeTest1
 
 174: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
 174: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
 174: Test timeout computed to be: 1500
-167: [07:09:34] -------------------------------------
-167: [07:09:34]    Results do not depend on numThreads (all same) 
-174: [07:09:34] test1: basics
-174: [07:09:34] done
-174: [07:09:34] test2: basic writing
+136: processing
+136:  launch :0
+136:  launch :1
+136:  launch :2
+136:  launch :3
+174: [03:13:24] test1: basics
+174: [03:13:24] done
+174: [03:13:24] test2: basic writing
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,0]}]}]}
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]}
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]}
-174: [07:09:34] done
-174: [07:09:34] test3: writing conformers
+174: [03:13:24] done
+174: [03:13:24] test3: writing conformers
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1987,-0.0452],[-0.3332,0.4555],[0.1659,1.322],[0.5332,-0.0438],[-2.0652,0.4541],[-0.8339,1.3212]]},{"dim":3,"coords":[[0.9553,-0.3743,-0.4679],[-0.3616,-0.131,-0.0794],[-0.5097,1.6255,0.1705],[-0.5778,-0.7919,1.1042],[1.5276,0.1063,0.1627],[-1.0339,-0.4345,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
-174: [07:09:34] done
-174: [07:09:34] test4: writing properties
+174: [03:13:24] done
+174: [03:13:24] test4: writing properties
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,0]}]}]}
-174: [07:09:34] done
-174: [07:09:34] test5: writing partial charges
+174: [03:13:24] done
+174: [03:13:24] test5: writing partial charges
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[0.5,-0.5]}]}]}
-174: [07:09:34] testing parse options
-174: [07:09:34] done
-174: [07:09:34] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
+174: [03:13:24] testing parse options
+174: [03:13:24] done
+174: [03:13:24] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
-174: [07:09:34] done
-174: [07:09:34] testing 'either' stereochemistry
-174: [07:09:34] done
-163/222 Test #174: molInterchangeTest1 ....................   Passed    0.10 sec
+174: [03:13:24] done
+174: [03:13:24] testing 'either' stereochemistry
+174: [03:13:24] done
+163/222 Test #174: molInterchangeTest1 ....................   Passed    0.05 sec
 test 175
         Start 175: molInterchangeCatchTest
 
 175: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
 175: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
 175: Test timeout computed to be: 1500
-167: [07:09:34] -------------------------------------
-167: [07:09:34]    testTautomerQueries
-175: Randomness seeded to: 3211881956
-175: [07:09:34]  unrecognized bond type 12 set to zero while writing
-175: [07:09:34]  unrecognized bond type 0 set to zero while writing
+175: Randomness seeded to: 1685845591
+175: [03:13:24]  unrecognized bond type 12 set to zero while writing
+175: [03:13:24]  unrecognized bond type 0 set to zero while writing
 175: ===============================================================================
 175: All tests passed (117 assertions in 5 test cases)
 175: 
@@ -23740,120 +23359,113 @@
 176: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
 176: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
 176: Test timeout computed to be: 1500
-167: [07:09:34] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
-167: [07:09:34] -------------------------------------
-167: [07:09:34]   github3881 recursive smarts with rings 
-165/222 Test #167: substructLibraryTest ...................   Passed    7.82 sec
+176: ..
+176: ----------------------------------------------------------------------
+176: Ran 2 tests in 0.008s
+176: 
+176: OK
+165/222 Test #176: pyMolInterchange .......................   Passed    0.26 sec
 test 177
         Start 177: testSLNParse
 
 177: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
 177: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse
 177: Test timeout computed to be: 1500
-177: [07:09:34] SLN Parse Error: syntax error while parsing: CH4[I=13]
-177: [07:09:34] Failed parsing SLN 'CH4[I=13]'
-177: [07:09:34] SLN Parser error: Atom ID 1 appears *after* its ring closure.
-177: [07:09:34] SLN Parser error: Ring closure 1 does not have a corresponding opener.
-177: [07:09:34] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
-177: [07:09:34] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
-177: [07:09:34] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
-177: [07:09:34] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
-177: [07:09:34] SLN Parse Error: syntax error while parsing: CH4	fff
-177: [07:09:34] Failed parsing SLN 'CH4	fff'
-177: [07:09:34] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
-177: [07:09:34] Failed parsing SLN 'C[charge=+1] 	foo'
-177: [07:09:34] Query property 'is' ignored on non-query atom
-177: [07:09:34] Query property 'is' ignored on non-query atom
-166/222 Test #177: testSLNParse ...........................   Passed    0.03 sec
+177: [03:13:24] SLN Parse Error: syntax error while parsing: CH4[I=13]
+177: [03:13:24] Failed parsing SLN 'CH4[I=13]'
+177: [03:13:24] SLN Parser error: Atom ID 1 appears *after* its ring closure.
+177: [03:13:24] SLN Parser error: Ring closure 1 does not have a corresponding opener.
+177: [03:13:24] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
+177: [03:13:24] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
+177: [03:13:24] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
+177: [03:13:24] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
+177: [03:13:24] SLN Parse Error: syntax error while parsing: CH4	fff
+177: [03:13:24] Failed parsing SLN 'CH4	fff'
+177: [03:13:24] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
+177: [03:13:24] Failed parsing SLN 'C[charge=+1] 	foo'
+177: [03:13:24] Query property 'is' ignored on non-query atom
+177: [03:13:24] Query property 'is' ignored on non-query atom
+166/222 Test #177: testSLNParse ...........................   Passed    0.05 sec
 test 178
         Start 178: pySLNParse
 
 178: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap/testSLN.py"
 178: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap
 178: Test timeout computed to be: 1500
-178: ..
-178: ----------------------------------------------------------------------
-178: Ran 2 tests in 0.005s
-178: 
-178: OK
-167/222 Test #178: pySLNParse .............................   Passed    0.29 sec
+173: ..................
+173: ----------------------------------------------------------------------
+173: Ran 18 tests in 0.842s
+173: 
+173: OK
+167/222 Test #173: pyRGroupDecomposition ..................   Passed    1.18 sec
 test 179
         Start 179: pyGraphMolWrap
 
 179: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rough_test.py"
 179: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 179: Test timeout computed to be: 1500
-176: ..
-176: ----------------------------------------------------------------------
-176: Ran 2 tests in 0.019s
-176: 
-176: OK
-168/222 Test #176: pyMolInterchange .......................   Passed    0.52 sec
+178: ..
+178: ----------------------------------------------------------------------
+178: Ran 2 tests in 0.005s
+178: 
+178: OK
+167: [03:13:24] -------------------------------------
+167: [03:13:24]    testing PatternHolder
+168/222 Test #178: pySLNParse .............................   Passed    0.26 sec
 test 180
         Start 180: pyTestConformerWrap
 
 180: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testConformer.py"
 180: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 180: Test timeout computed to be: 1500
-173: ..................
-173: ----------------------------------------------------------------------
-173: Ran 18 tests in 0.961s
-173: 
-173: OK
 180: ......
 180: ----------------------------------------------------------------------
-180: Ran 6 tests in 0.009s
+180: Ran 6 tests in 0.007s
 180: 
 180: OK
-170: bulk, no symmetry
-169/222 Test #180: pyTestConformerWrap ....................   Passed    0.52 sec
+167: [03:13:24] -------------------------------------
+167: [03:13:24]    testing TautomerPatternHolder
+169/222 Test #180: pyTestConformerWrap ....................   Passed    0.19 sec
 test 181
         Start 181: pyTestTrajectory
 
 181: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testTrajectory.py"
 181: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 181: Test timeout computed to be: 1500
-179: ..............[07:09:35] SMARTS Parse Error: syntax error while parsing: fiib
-179: [07:09:35] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
-170/222 Test #173: pyRGroupDecomposition ..................   Passed    1.69 sec
-test 182
-        Start 182: pyTestSGroups
-
-182: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testSGroups.py"
-182: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-182: Test timeout computed to be: 1500
-179: ....[07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] Spurious data before the first property will be ignored
-179: [07:09:35] Property <ID> will be truncated after the first blank line
-179: [07:09:35] Property <ID> will be truncated after the first blank line
-179: [07:09:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-179: [07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] Spurious data before the first property will be ignored
-179: [07:09:35] Property <ID> will be truncated after the first blank line
-179: [07:09:35] Property <ID> will be truncated after the first blank line
-179: [07:09:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-179: [07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-179: [07:09:35] ERROR: Problems encountered parsing data fields
-179: [07:09:35] ERROR: moving to the beginning of the next molecule
-179: [07:09:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-179: .[07:09:35] SMILES Parse Error: syntax error while parsing: fail
-179: [07:09:35] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-179: [07:09:35] ERROR: Smiles parse error on line 2
-179: [07:09:35] ERROR: Cannot create molecule from : 'fail'
+179: ..............[03:13:24] SMARTS Parse Error: syntax error while parsing: fiib
+179: [03:13:24] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
+179: ....[03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] Spurious data before the first property will be ignored
+179: [03:13:24] Property <ID> will be truncated after the first blank line
+179: [03:13:24] Property <ID> will be truncated after the first blank line
+179: [03:13:24] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+179: [03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] Spurious data before the first property will be ignored
+179: [03:13:24] Property <ID> will be truncated after the first blank line
+179: [03:13:24] Property <ID> will be truncated after the first blank line
+179: [03:13:24] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+179: [03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+179: [03:13:24] ERROR: Problems encountered parsing data fields
+179: [03:13:24] ERROR: moving to the beginning of the next molecule
+179: [03:13:24] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+179: .[03:13:24] SMILES Parse Error: syntax error while parsing: fail
+179: [03:13:24] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+179: [03:13:24] ERROR: Smiles parse error on line 2
+179: [03:13:24] ERROR: Cannot create molecule from : 'fail'
 179: >>> This may result in an infinite loop.  It should finish almost instantly
 179: <<< OK, it finished.
-179: ............[07:09:35] Explicit valence for atom # 1 C, 5, is greater than permitted
-179: ............[07:09:35] non-ring atom 0 marked aromatic
-179: [07:09:35] non-ring atom 0 marked aromatic
-179: [07:09:35] 
+179: ............[03:13:24] Explicit valence for atom # 1 C, 5, is greater than permitted
+179: ............[03:13:25] non-ring atom 0 marked aromatic
+179: [03:13:25] non-ring atom 0 marked aromatic
+179: [03:13:25] 
 179: 
 179: ****
 179: Range Error
@@ -23862,9 +23474,9 @@
 179: Failed Expression: 12 < 6
 179: ****
 179: 
-179: [07:09:35] non-ring atom 0 marked aromatic
-179: [07:09:35] non-ring atom 0 marked aromatic
-179: [07:09:35] 
+179: [03:13:25] non-ring atom 0 marked aromatic
+179: [03:13:25] non-ring atom 0 marked aromatic
+179: [03:13:25] 
 179: 
 179: ****
 179: Range Error
@@ -23873,17 +23485,413 @@
 179: Failed Expression: 12 < 6
 179: ****
 179: 
-179: ...............[07:09:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-179: [07:09:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-179: ..............[07:09:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-179: [07:09:35] Explicit valence for atom # 1 C, 5, is greater than permitted
-182: .............
-182: ----------------------------------------------------------------------
-182: Ran 13 tests in 0.030s
-182: 
-182: OK
-182: Testing SubstanceGroups wrapper
-181: [07:09:36] 
+167: [03:13:25] -------------------------------------
+167: [03:13:25]    testSegFaultInHolder
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf[03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: 
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+179: ...............[03:13:25] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+179: [03:13:25] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[03:13:25] [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: 
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES[03:13:25]  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] SMILES Parse Error: syntax error while parsing: dsafsdf
+167: [03:13:25] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+167: [03:13:25] -------------------------------------
+167: [03:13:25]    Results do not depend on numThreads 
+181: [03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23892,7 +23900,7 @@
 181: Failed Expression: from < static_cast<int>(size())
 181: ****
 181: 
-181: .[07:09:36] 
+181: .[03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23901,16 +23909,9 @@
 181: Failed Expression: from < static_cast<int>(size())
 181: ****
 181: 
-170: [07:09:36] Relabelling existing label
-171/222 Test #182: pyTestSGroups ..........................   Passed    0.48 sec
-test 183
-        Start 183: pyTestThreads
-
-183: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testThreads.py"
-183: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-183: Test timeout computed to be: 1500
-170: Best mapping
-181: .[07:09:36] 
+179: ..............[03:13:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+179: [03:13:25] Explicit valence for atom # 1 C, 5, is greater than permitted
+181: .[03:13:25] 
 181: 
 181: ****
 181: Range Error
@@ -23919,7 +23920,7 @@
 181: Failed Expression: 0 < 0
 181: ****
 181: 
-181: .[07:09:36] 
+181: .[03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23928,7 +23929,7 @@
 181: Failed Expression: traj.dimension() == 3
 181: ****
 181: 
-181: ..[07:09:36] 
+181: ..[03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23937,7 +23938,7 @@
 181: Failed Expression: traj.dimension() == 3
 181: ****
 181: 
-181: .[07:09:36] 
+181: .[03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23946,7 +23947,7 @@
 181: Failed Expression: d_pos
 181: ****
 181: 
-181: [07:09:36] 
+181: [03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23955,7 +23956,7 @@
 181: Failed Expression: d_trajectory
 181: ****
 181: 
-181: .[07:09:36] 
+181: .[03:13:25] 
 181: 
 181: ****
 181: Range Error
@@ -23964,7 +23965,7 @@
 181: Failed Expression: 5 < 5
 181: ****
 181: 
-181: [07:09:36] 
+181: [03:13:25] 
 181: 
 181: ****
 181: Range Error
@@ -23973,7 +23974,7 @@
 181: Failed Expression: 10 < 10
 181: ****
 181: 
-181: .[07:09:36] 
+181: .[03:13:25] 
 181: 
 181: ****
 181: Range Error
@@ -23982,7 +23983,7 @@
 181: Failed Expression: 5 < 5
 181: ****
 181: 
-181: [07:09:36] 
+181: [03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -23991,7 +23992,7 @@
 181: Failed Expression: d_trajectory->dimension() == 2
 181: ****
 181: 
-181: [07:09:36] 
+181: [03:13:25] 
 181: 
 181: ****
 181: Pre-condition Violation
@@ -24002,70 +24003,110 @@
 181: 
 181: .
 181: ----------------------------------------------------------------------
-181: Ran 9 tests in 0.281s
+181: Ran 9 tests in 0.139s
 181: 
 181: OK
 181: Testing Trajectory wrapper
-172/222 Test #181: pyTestTrajectory .......................   Passed    0.77 sec
+170/222 Test #181: pyTestTrajectory .......................   Passed    0.44 sec
+test 182
+        Start 182: pyTestSGroups
+
+182: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testSGroups.py"
+182: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+182: Test timeout computed to be: 1500
+156: Randomness seeded to: 3369830561
+156: Timed out after 11 seconds.
+182: .............
+182: ----------------------------------------------------------------------
+182: Ran 13 tests in 0.023s
+182: 
+182: OK
+182: Testing SubstanceGroups wrapper
+171/222 Test #182: pyTestSGroups ..........................   Passed    0.40 sec
+test 183
+        Start 183: pyTestThreads
+
+183: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testThreads.py"
+183: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+183: Test timeout computed to be: 1500
+170: bulk, no symmetry
+134: ......[03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: .[03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: .[03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [03:13:26] Molecule does not have explicit Hs. Consider calling AddHs()
+134: .
+134: ----------------------------------------------------------------------
+134: Ran 19 tests in 16.194s
+134: 
+134: OK
+170: [03:13:26] Relabelling existing label
+172/222 Test #134: pyDistGeomHelpers ......................   Passed   16.67 sec
 test 184
         Start 184: pyTestMultithreadedMolSupplier
 
 184: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
 184: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 184: Test timeout computed to be: 1500
-173/222 Test #170: testRGroupDecomp .......................   Passed    6.59 sec
+167: [03:13:27] -------------------------------------
+167: [03:13:27]    Results do not depend on numThreads (all same) 
+170: Best mapping
+167: [03:13:27] -------------------------------------
+167: [03:13:27]    testTautomerQueries
+167: [03:13:27] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
+167: [03:13:27] -------------------------------------
+167: [03:13:27]   github3881 recursive smarts with rings 
+173/222 Test #167: substructLibraryTest ...................   Passed    7.99 sec
 test 185
         Start 185: pyTestPropertyLists
 
 185: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testPropertyLists.py"
 185: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 185: Test timeout computed to be: 1500
-169: ......[07:09:36] 
-169: 
-169: ****
-169: Pre-condition Violation
-169: RingInfo not initialized
-169: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
-169: Failed Expression: df_init
-169: ****
-169: 
-169: [07:09:36] 
-169: 
-169: ****
-169: Pre-condition Violation
-169: RingInfo not initialized
-169: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
-169: Failed Expression: df_init
-169: ****
-169: 
-184: .s.
-184: ----------------------------------------------------------------------
-184: Ran 3 tests in 0.102s
-184: 
-184: OK (skipped=1)
-184: Testing Smiles and SD MultithreadedMolSupplier
-185: [07:09:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-185: [07:09:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-185: [07:09:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-185: .[07:09:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-185: [07:09:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-185: [07:09:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-185: ...[07:09:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-185: [07:09:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-185: [07:09:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-185: .
-185: ----------------------------------------------------------------------
-185: Ran 5 tests in 0.019s
-185: 
-185: OK
-174/222 Test #184: pyTestMultithreadedMolSupplier .........   Passed    0.54 sec
+174/222 Test #170: testRGroupDecomp .......................   Passed    6.90 sec
 test 186
         Start 186: pyCDXMLTest
 
 186: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/test_cdxml.py"
 186: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 186: Test timeout computed to be: 1500
-175/222 Test #185: pyTestPropertyLists ....................   Passed    0.58 sec
+185: [03:13:27] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+185: [03:13:27] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+185: [03:13:27] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+185: .[03:13:27] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+185: [03:13:27] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+185: [03:13:27] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+185: ...[03:13:27] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+185: [03:13:27] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+185: [03:13:27] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+185: .
+185: ----------------------------------------------------------------------
+185: Ran 5 tests in 0.014s
+185: 
+185: OK
+184: .s.
+184: ----------------------------------------------------------------------
+184: Ran 3 tests in 0.203s
+184: 
+184: OK (skipped=1)
+184: Testing Smiles and SD MultithreadedMolSupplier
+175/222 Test #185: pyTestPropertyLists ....................   Passed    0.40 sec
 test 187
         Start 187: molStandardizeTest
 
@@ -24074,130 +24115,78 @@
 187: Test timeout computed to be: 1500
 186: .
 186: ----------------------------------------------------------------------
-186: Ran 1 test in 0.013s
+186: Ran 1 test in 0.006s
 186: 
 186: OK
-176/222 Test #186: pyCDXMLTest ............................   Passed    0.54 sec
+176/222 Test #184: pyTestMultithreadedMolSupplier .........   Passed    1.04 sec
 test 188
         Start 188: molNormalizeTest
 
 188: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
 188: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 188: Test timeout computed to be: 1500
-134: ......[07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: .[07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-188: [07:09:37] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: .[07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [07:09:37] Molecule does not have explicit Hs. Consider calling AddHs()
-134: .
-134: ----------------------------------------------------------------------
-134: Ran 19 tests in 20.650s
-134: 
-134: OK
-188: [07:09:37] Initializing Normalizer
-188: [07:09:37] Running Normalizer
-188: [07:09:37] Rule applied: BrokenazidetoN=N+=N-
-188: [07:09:37] Initializing Normalizer
-188: [07:09:37] Running Normalizer
-188: [07:09:37] Initializing Normalizer
-188: [07:09:37] Running Normalizer
-177/222 Test #188: molNormalizeTest .......................   Passed    0.10 sec
+177/222 Test #186: pyCDXMLTest ............................   Passed    0.44 sec
 test 189
         Start 189: molValidateTest
 
 189: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
 189: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 189: Test timeout computed to be: 1500
-178/222 Test #134: pyDistGeomHelpers ......................   Passed   21.06 sec
+188: [03:13:28] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
+188: [03:13:28] Initializing Normalizer
+188: [03:13:28] Running Normalizer
+188: [03:13:28] Rule applied: BrokenazidetoN=N+=N-
+188: [03:13:28] Initializing Normalizer
+188: [03:13:28] Running Normalizer
+188: [03:13:28] Initializing Normalizer
+188: [03:13:28] Running Normalizer
+178/222 Test #188: molNormalizeTest .......................   Passed    0.14 sec
 test 190
         Start 190: molChargeTest
 
 190: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
 190: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 190: Test timeout computed to be: 1500
-179/222 Test #189: molValidateTest ........................   Passed    0.06 sec
+179/222 Test #189: molValidateTest ........................   Passed    0.15 sec
 test 191
         Start 191: molTautomerTest
 
 191: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
 191: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 191: Test timeout computed to be: 1500
-180/222 Test #190: molChargeTest ..........................   Passed    0.08 sec
+180/222 Test #190: molChargeTest ..........................   Passed    0.14 sec
 test 192
         Start 192: molStandardizeSmallTest
 
 192: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
 192: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 192: Test timeout computed to be: 1500
-181/222 Test #192: molStandardizeSmallTest ................   Passed    0.05 sec
+181/222 Test #192: molStandardizeSmallTest ................   Passed    0.08 sec
 test 193
         Start 193: molFragmentTest
 
 193: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
 193: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 193: Test timeout computed to be: 1500
-193: [07:09:37] SMARTS Parse Error: syntax error while parsing: [Cl
-193: [07:09:37] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
-182/222 Test #193: molFragmentTest ........................   Passed    0.05 sec
+193: [03:13:28] SMARTS Parse Error: syntax error while parsing: [Cl
+193: [03:13:28] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
+182/222 Test #193: molFragmentTest ........................   Passed    0.08 sec
 test 194
         Start 194: molStandardizeCatchTest
 
 194: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
 194: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
 194: Test timeout computed to be: 1500
-194: Randomness seeded to: 221553506
-194:  * - * - * - * m1
-194:  * - * - * - * m2
-194:  * - * - * - * m1
-194:  * - * - * - * m2
-194: [07:09:38] Can't kekulize mol.  Unkekulized atoms: 3 7
-194: [07:09:38] Can't kekulize mol.  Unkekulized atoms: 3 8
-194: [07:09:38] Can't kekulize mol.  Unkekulized atoms: 2 3 4
-191: [07:09:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-183/222 Test #187: molStandardizeTest .....................   Passed    1.15 sec
+183/222 Test #187: molStandardizeTest .....................   Passed    0.64 sec
 test 195
         Start 195: pyMolStandardize
 
 195: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
 195: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
 195: Test timeout computed to be: 1500
-191: [07:09:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-191: [07:09:38] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-191: [07:09:38] Tautomer enumeration stopped at 90 tautomers: canceled
-191: Enumeration was canceled due to timeout (50 ms)
-195: .....[07:09:39] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-195: [07:09:39] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-195: .[07:09:39] Tautomer enumeration stopped at 91 tautomers: canceled
-195: Enumeration was canceled due to timeout (50 ms)
-191: 375
-191: Enumeration has completed
-184/222 Test #183: pyTestThreads ..........................   Passed    3.10 sec
-test 196
-        Start 196: testScaffoldNetwork
-
-196: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
-196: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
-196: Test timeout computed to be: 1500
-179: ...........................[07:09:39]  unable to set wavy bonds for double bonds: 3
-191: [07:09:39] Tautomer enumeration stopped at 90 tautomers: canceled
-179: .........[07:09:39] 
+191: [03:13:28] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+179: ...........................[03:13:28]  unable to set wavy bonds for double bonds: 3
+179: .........[03:13:28] 
 179: 
 179: ****
 179: Range Error
@@ -24206,17 +24195,21 @@
 179: Failed Expression: 6 < 5
 179: ****
 179: 
-136: 	---------------------------------
-136: 	 test getO3AForProbeConfs
-136: 
-136: ***********************************************************
-185/222 Test #136: testO3AAlign ...........................   Passed   22.50 sec
-test 197
-        Start 197: pyScaffoldNetwork
-
-197: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
-197: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-197: Test timeout computed to be: 1500
+191: [03:13:28] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+194: Randomness seeded to: 3882926633
+191: [03:13:28] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+194:  * - * - * - * m1
+194:  * - * - * - * m2
+194:  * - * - * - * m1
+194:  * - * - * - * m2
+194: [03:13:28] Can't kekulize mol.  Unkekulized atoms: 3 7
+194: [03:13:28] Can't kekulize mol.  Unkekulized atoms: 3 8
+194: [03:13:28] Can't kekulize mol.  Unkekulized atoms: 2 3 4
+191: [03:13:28] Tautomer enumeration stopped at 141 tautomers: canceled
+191: Enumeration was canceled due to timeout (50 ms)
+191: 375
+191: Enumeration has completed
+191: [03:13:29] Tautomer enumeration stopped at 153 tautomers: canceled
 191: CN=c1cc[nH]cn1
 191: CN=c1ccnc[nH]1
 191: CNc1ccncn1
@@ -24224,94 +24217,125 @@
 191: CN=c1cccc[nH]1
 191: CNc1ccccn1
 191: res: CNc1ccccn1
-194: ===============================================================================
-194: All tests passed (18691 assertions in 41 test cases)
-194: 
-186/222 Test #194: molStandardizeCatchTest ................   Passed    1.82 sec
+184/222 Test #191: molTautomerTest ........................   Passed    1.27 sec
+test 196
+        Start 196: testScaffoldNetwork
+
+196: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
+196: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
+196: Test timeout computed to be: 1500
+195: .....[03:13:29] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+195: [03:13:29] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+195: .[03:13:29] Tautomer enumeration stopped at 99 tautomers: canceled
+195: Enumeration was canceled due to timeout (50 ms)
+195: Enumeration has completed
+195: [03:13:30] Tautomer enumeration stopped at 101 tautomers: canceled
+196: Randomness seeded to: 4047856177
+196: ===============================================================================
+196: All tests passed (269 assertions in 19 test cases)
+196: 
+185/222 Test #196: testScaffoldNetwork ....................   Passed    0.99 sec
+test 197
+        Start 197: pyScaffoldNetwork
+
+197: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
+197: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+197: Test timeout computed to be: 1500
+179: ...................[03:13:30] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:30] Explicit valence for atom # 6 F, 2, is greater than permitted
+179: [03:13:30] Can't kekulize mol.  Unkekulized atoms: 3 4 5
+179: ...............[03:13:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+197: .......
+197: ----------------------------------------------------------------------
+197: Ran 7 tests in 0.041s
+197: 
+197: OK
+195: ....................[03:13:30] Explicit valence for atom # 1 O, 3, is greater than permitted
+195: .
+195: ----------------------------------------------------------------------
+195: Ran 27 tests in 1.697s
+195: 
+195: OK
+195: done
+186/222 Test #197: pyScaffoldNetwork ......................   Passed    0.42 sec
 test 198
         Start 198: pyScaffoldNetworkPickling
 
 198: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
 198: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
 198: Test timeout computed to be: 1500
-195: Enumeration has completed
-187/222 Test #191: molTautomerTest ........................   Passed    2.09 sec
+187/222 Test #195: pyMolStandardize .......................   Passed    2.40 sec
 test 199
         Start 199: testMolEnumerator
 
 199: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
 199: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator
 199: Test timeout computed to be: 1500
-197: .......
-197: ----------------------------------------------------------------------
-197: Ran 7 tests in 0.030s
-197: 
-197: OK
-195: [07:09:39] Tautomer enumeration stopped at 100 tautomers: canceled
-199: Randomness seeded to: 829028755
-199: [07:09:39] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
-188/222 Test #197: pyScaffoldNetwork ......................   Passed    0.36 sec
+199: Randomness seeded to: 1797718631
+199: [03:13:30] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
+199: ===============================================================================
+199: All tests passed (321 assertions in 16 test cases)
+199: 
+188/222 Test #199: testMolEnumerator ......................   Passed    0.14 sec
 test 200
         Start 200: pyMolEnumerator
 
 200: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
 200: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
 200: Test timeout computed to be: 1500
-199: ===============================================================================
-199: All tests passed (321 assertions in 16 test cases)
-199: 
-189/222 Test #199: testMolEnumerator ......................   Passed    0.09 sec
+194: ===============================================================================
+194: All tests passed (18691 assertions in 41 test cases)
+194: 
+198: .
+198: ----------------------------------------------------------------------
+198: Ran 1 test in 0.007s
+198: 
+198: OK
+189/222 Test #194: molStandardizeCatchTest ................   Passed    2.79 sec
 test 201
         Start 201: testAbbreviations
 
 201: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
 201: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations
 201: Test timeout computed to be: 1500
-201: Randomness seeded to: 1690888899
-201: [07:09:40] SMARTS Parse Error: syntax error while parsing: *fail
-201: [07:09:40] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
-201: [07:09:40] no suitable SubstanceGroups found
-201: ===============================================================================
-201: All tests passed (195 assertions in 12 test cases)
-201: 
-190/222 Test #201: testAbbreviations ......................   Passed    0.06 sec
+190/222 Test #198: pyScaffoldNetworkPickling ..............   Passed    0.42 sec
 test 202
         Start 202: pyAbbreviations
 
 202: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
 202: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
 202: Test timeout computed to be: 1500
-198: .
-198: ----------------------------------------------------------------------
-198: Ran 1 test in 0.007s
-198: 
-198: OK
-191/222 Test #198: pyScaffoldNetworkPickling ..............   Passed    0.30 sec
+201: Randomness seeded to: 3700252222
+201: [03:13:31] SMARTS Parse Error: syntax error while parsing: *fail
+201: [03:13:31] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
+201: [03:13:31] no suitable SubstanceGroups found
+201: ===============================================================================
+201: All tests passed (195 assertions in 12 test cases)
+201: 
+191/222 Test #201: testAbbreviations ......................   Passed    0.07 sec
 test 203
         Start 203: generalizedSubstructCatch
 
 203: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
 203: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
 203: Test timeout computed to be: 1500
-196: Randomness seeded to: 186282764
-196: ===============================================================================
-196: All tests passed (269 assertions in 19 test cases)
-196: 
-192/222 Test #196: testScaffoldNetwork ....................   Passed    0.75 sec
+200: ...
+200: ----------------------------------------------------------------------
+200: Ran 3 tests in 0.008s
+200: 
+200: OK
+192/222 Test #200: pyMolEnumerator ........................   Passed    0.41 sec
 test 204
         Start 204: pyGeneralizedSubstruct
 
 204: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
 204: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
 204: Test timeout computed to be: 1500
-179: ...................[07:09:40] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:40] Explicit valence for atom # 6 F, 2, is greater than permitted
-179: [07:09:40] Can't kekulize mol.  Unkekulized atoms: 3 4 5
-203: Randomness seeded to: 3577240601
+203: Randomness seeded to: 4014362251
 203: ===============================================================================
 203: All tests passed (180 assertions in 10 test cases)
 203: 
-193/222 Test #203: generalizedSubstructCatch ..............   Passed    0.14 sec
+193/222 Test #203: generalizedSubstructCatch ..............   Passed    0.28 sec
 test 205
         Start 205: testQuery
 
@@ -24335,14 +24359,13 @@
 205: XOr
 205: pointer and copy foo
 205: Set2
-194/222 Test #205: testQuery ..............................   Passed    0.01 sec
+194/222 Test #205: testQuery ..............................   Passed    0.02 sec
 test 206
         Start 206: testMatCalc
 
 206: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
 206: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc
 206: Test timeout computed to be: 1500
-195: ....................[07:09:40] Explicit valence for atom # 1 O, 3, is greater than permitted
 206: 1.68022e+08
 206: 1.73149e+08
 206: 1.05549e+08
@@ -24388,98 +24411,83 @@
 206: 9.49496e+07
 206: 2.25618e+08
 206: 1.30219e+08
-195/222 Test #206: testMatCalc ............................   Passed    0.01 sec
+195/222 Test #206: testMatCalc ............................   Passed    0.02 sec
 test 207
         Start 207: pyMatCalc
 
 207: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
 207: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
 207: Test timeout computed to be: 1500
-195: .
-195: ----------------------------------------------------------------------
-195: Ran 27 tests in 1.490s
-195: 
-195: OK
-195: done
 202: .......
 202: ----------------------------------------------------------------------
-202: Ran 7 tests in 0.010s
+202: Ran 7 tests in 0.023s
 202: 
 202: OK
-200: ...
-200: ----------------------------------------------------------------------
-200: Ran 3 tests in 0.006s
-200: 
-200: OK
-179: ...............[07:09:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-196/222 Test #202: pyAbbreviations ........................   Passed    0.26 sec
+136: 	---------------------------------
+136: 	 test getO3AForProbeConfs
+136: 
+136: ***********************************************************
+196/222 Test #136: testO3AAlign ...........................   Passed   20.95 sec
 test 208
         Start 208: testSimDivPickers
 
 208: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers
 208: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers
 208: Test timeout computed to be: 1500
-208: [07:09:40] -------------------------------------
-208: [07:09:40] Testing github issue 1421: MaxMinPicker picking non-existent element.
-208: [07:09:40] Done
-208: [07:09:40] -------------------------------------
-208: [07:09:40] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
-208: [07:09:40] Done
-197/222 Test #208: testSimDivPickers ......................   Passed    0.00 sec
+197/222 Test #202: pyAbbreviations ........................   Passed    0.46 sec
 test 209
         Start 209: pickersTestsCatch
 
 209: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
 209: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers
 209: Test timeout computed to be: 1500
-198/222 Test #195: pyMolStandardize .......................   Passed    1.96 sec
+208: [03:13:31] -------------------------------------
+208: [03:13:31] Testing github issue 1421: MaxMinPicker picking non-existent element.
+208: [03:13:31] Done
+208: [03:13:31] -------------------------------------
+208: [03:13:31] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
+208: [03:13:31] Done
+198/222 Test #208: testSimDivPickers ......................   Passed    0.03 sec
 test 210
         Start 210: pySimDivPickers
 
 210: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/testPickers.py"
 210: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap
 210: Test timeout computed to be: 1500
-199/222 Test #200: pyMolEnumerator ........................   Passed    0.37 sec
+204: .......
+204: ----------------------------------------------------------------------
+204: Ran 7 tests in 0.082s
+204: 
+204: OK
+199/222 Test #204: pyGeneralizedSubstruct .................   Passed    0.41 sec
 test 211
         Start 211: pyRanker
 
 211: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/testRanker.py"
 211: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap
 211: Test timeout computed to be: 1500
-204: .......
-204: ----------------------------------------------------------------------
-204: Ran 7 tests in 0.078s
-204: 
-204: OK
-209: Randomness seeded to: 1359136861
+209: Randomness seeded to: 2079897005
 209: ===============================================================================
 209: All tests passed (21267 assertions in 1 test case)
 209: 
-200/222 Test #204: pyGeneralizedSubstruct .................   Passed    0.29 sec
-201/222 Test #209: pickersTestsCatch ......................   Passed    0.09 sec
+200/222 Test #209: pickersTestsCatch ......................   Passed    0.17 sec
 test 212
         Start 212: testChemicalFeatures
 
 212: Test command: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
 212: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures
 212: Test timeout computed to be: 1500
+212: -----------------------------------------
+212: Test1
+212: Done
+201/222 Test #212: testChemicalFeatures ...................   Passed    0.02 sec
 test 213
         Start 213: pyFeatures
 
 213: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/Wrap/testFeatures.py"
 213: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap
 213: Test timeout computed to be: 1500
-212: -----------------------------------------
-212: Test1
-212: Done
-202/222 Test #212: testChemicalFeatures ...................   Passed    0.01 sec
-test 214
-        Start 214: pythonTestDbCLI
-
-214: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Projects/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/Projects"
-214: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Projects
-214: Test timeout computed to be: 1500
-211: ..[07:09:40] 
+211: ..[03:13:32] 
 211: 
 211: ****
 211: Invariant Violation
@@ -24490,278 +24498,577 @@
 211: 
 211: ...
 211: ----------------------------------------------------------------------
-211: Ran 5 tests in 0.016s
+211: Ran 5 tests in 0.023s
 211: 
 211: OK
-210: [07:09:40] the useCache argument is deprecated and ignored
-203/222 Test #211: pyRanker ...............................   Passed    0.26 sec
+210: [03:13:32] the useCache argument is deprecated and ignored
+202/222 Test #211: pyRanker ...............................   Passed    0.27 sec
+test 214
+        Start 214: pythonTestDbCLI
+
+214: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Projects/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/Projects"
+214: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/Projects
+214: Test timeout computed to be: 1500
+207: .....
+207: ----------------------------------------------------------------------
+207: Ran 5 tests in 0.377s
+207: 
+207: OK
+203/222 Test #207: pyMatCalc ..............................   Passed    0.59 sec
 test 215
         Start 215: pythonTestDirRoot
 
 215: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit"
 215: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 215: Test timeout computed to be: 1500
+210: ...[03:13:32] the useCache argument is deprecated and ignored
+210: [03:13:32] the useCache argument is deprecated and ignored
+210: .[03:13:32] the useCache argument is deprecated and ignored
 213: ..
 213: ----------------------------------------------------------------------
-213: Ran 2 tests in 0.003s
+213: Ran 2 tests in 0.012s
 213: 
 213: OK
 213: Testing ChemicalFeatures Wrapper code:
-210: ...[07:09:40] the useCache argument is deprecated and ignored
-210: [07:09:40] the useCache argument is deprecated and ignored
-210: .[07:09:40] the useCache argument is deprecated and ignored
-204/222 Test #213: pyFeatures .............................   Passed    0.30 sec
+204/222 Test #213: pyFeatures .............................   Passed    0.40 sec
 test 216
         Start 216: pythonTestDirML
 
 216: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/ML/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/ML"
 216: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 216: Test timeout computed to be: 1500
-207: .....
-207: ----------------------------------------------------------------------
-207: Ran 5 tests in 0.319s
-207: 
-207: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:21: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML import BuildComposite
-205/222 Test #207: pyMatCalc ..............................   Passed    0.69 sec
+210: .......
+210: ----------------------------------------------------------------------
+210: Ran 11 tests in 0.635s
+210: 
+210: OK
+205/222 Test #210: pySimDivPickers ........................   Passed    0.94 sec
 test 217
         Start 217: pythonTestDirDataStructs
 
 217: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs"
 217: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 217: Test timeout computed to be: 1500
-215: .........................
-215: ----------------------------------------------------------------------
-215: Ran 25 tests in 0.295s
-215: 
-215: OK
-206/222 Test #215: pythonTestDirRoot ......................   Passed    0.48 sec
+216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:83: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+216:   refCompos = pickle.load(pklF)
+206/222 Test #183: pyTestThreads ..........................   Passed    7.25 sec
 test 218
         Start 218: pythonTestDirDbase
 
 218: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase"
 218: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 218: Test timeout computed to be: 1500
-216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:83: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-216:   refCompos = pickle.load(pklF)
-210: .......
-210: ----------------------------------------------------------------------
-210: Ran 11 tests in 0.770s
-210: 
-210: OK
-207/222 Test #210: pySimDivPickers ........................   Passed    1.04 sec
-test 219
-        Start 219: pythonTestDirSimDivFilters
-
-219: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters"
-219: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
-219: Test timeout computed to be: 1500
-218: ..
-218: ----------------------------------------------------------------------
-218: Ran 2 tests in 0.158s
-218: 
-218: OK
 216: ...../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:198: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   refCompos = pickle.load(pklFile)
+217: .......
+217: ----------------------------------------------------------------------
+217: Ran 7 tests in 0.018s
+217: 
+217: OK
 216: .
 216: ----------------------------------------------------------------------
-216: Ran 6 tests in 0.270s
+216: Ran 6 tests in 0.387s
 216: 
 216: OK
-216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:20: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-216:   from rdkit.ML import ScreenComposite
-217: .......
+215: .........................
+215: ----------------------------------------------------------------------
+215: Ran 25 tests in 0.852s
+215: 
+215: OK
+207/222 Test #215: pythonTestDirRoot ......................   Passed    1.12 sec
+test 219
+        Start 219: pythonTestDirSimDivFilters
+
+219: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters"
+219: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
+219: Test timeout computed to be: 1500
+217: ..................................
 217: ----------------------------------------------------------------------
-217: Ran 7 tests in 0.036s
+217: Ran 34 tests in 0.002s
 217: 
 217: OK
-214: [07:09:41] INFO: Reading molecules and constructing molecular database.
-214: 
-214: [07:09:41] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-214: 
-214: [07:09:41] INFO:   Processing 10 molecules
-214: 
-218: ...........
+218: ..
 218: ----------------------------------------------------------------------
-218: Ran 11 tests in 0.288s
+218: Ran 2 tests in 0.160s
 218: 
 218: OK
+216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:20: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+216:   from rdkit.ML import ScreenComposite
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:276: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   compos = pickle.load(pklF)
 216: ../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:330: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   compos = pickle.load(pklF)
-208/222 Test #219: pythonTestDirSimDivFilters .............   Passed    0.58 sec
+217: .....
+217: ----------------------------------------------------------------------
+217: Ran 5 tests in 0.106s
+217: 
+217: OK
+216: ..........
+216: ----------------------------------------------------------------------
+216: Ran 12 tests in 0.073s
+216: 
+216: OK
+208/222 Test #219: pythonTestDirSimDivFilters .............   Passed    0.38 sec
 test 220
         Start 220: pythonTestDirVLib
 
 220: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/VLib/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/VLib"
 220: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 220: Test timeout computed to be: 1500
-218: .
+214: [03:13:33] INFO: Reading molecules and constructing molecular database.
+214: 
+214: [03:13:33] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: 
+214: [03:13:33] INFO:   Processing 10 molecules
+214: 
+218: ...........
 218: ----------------------------------------------------------------------
-218: Ran 1 test in 0.005s
+218: Ran 11 tests in 0.249s
 218: 
 218: OK
-216: ..........
-216: ----------------------------------------------------------------------
-216: Ran 12 tests in 0.112s
-216: 
-216: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML import AnalyzeComposite
-217: ..................................
-217: ----------------------------------------------------------------------
-217: Ran 34 tests in 0.013s
-217: 
-217: OK
-169: .............
-169: ----------------------------------------------------------------------
-169: Ran 19 tests in 13.158s
-169: 
-169: OK
-169: Testing atom rings
-169: testing bond rings
-169: searching atom rings
-169: searching bond rings
-169: done
 220: .............
 220: ----------------------------------------------------------------------
-220: Ran 13 tests in 0.017s
+220: Ran 13 tests in 0.006s
 220: 
 220: OK
-209/222 Test #169: pySubstructLibrary .....................   Passed   13.67 sec
+217: .......
+217: ----------------------------------------------------------------------
+217: Ran 7 tests in 0.001s
+217: 
+217: OK
+216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:31: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+216:   c1 = pickle.load(pklF)
+218: .
+218: ----------------------------------------------------------------------
+218: Ran 1 test in 0.001s
+218: 
+218: OK
+209/222 Test #217: pythonTestDirDataStructs ...............   Passed    1.27 sec
 test 221
         Start 221: pythonTestSping
 
 221: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/sping"
 221: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit
 221: Test timeout computed to be: 1500
-216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:31: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-216:   c1 = pickle.load(pklF)
 216: .
 216: ----------------------------------------------------------------------
-216: Ran 1 test in 0.042s
+216: Ran 1 test in 0.026s
 216: 
 216: OK
-214: [07:09:42] INFO: Generating fingerprints and descriptors:
+214: [03:13:33] INFO: Generating fingerprints and descriptors:
+214: 
+214: [03:13:34] INFO: Finished.
 214: 
 218: ...............
 218: ----------------------------------------------------------------------
-218: Ran 15 tests in 0.447s
+218: Ran 15 tests in 0.087s
 218: 
 218: OK
-220: ...........
-220: ----------------------------------------------------------------------
-220: Ran 11 tests in 0.043s
-220: 
-220: OK
-210/222 Test #220: pythonTestDirVLib ......................   Passed    0.85 sec
+216: ...
+216: ----------------------------------------------------------------------
+216: Ran 3 tests in 0.001s
+216: 
+216: OK
+218: ......
+218: ----------------------------------------------------------------------
+218: Ran 6 tests in 0.015s
+218: 
+218: OK
+210/222 Test #218: pythonTestDirDbase .....................   Passed    1.46 sec
 test 222
         Start 222: pythonTestDirChem
 
 222: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Chem" "--buildType" "None"
 222: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem
 222: Test timeout computed to be: 1500
-218: ......
-218: ----------------------------------------------------------------------
-218: Ran 6 tests in 0.007s
-218: 
-218: OK
-211/222 Test #218: pythonTestDirDbase .....................   Passed    1.80 sec
-216: ...
+220: ...........
+220: ----------------------------------------------------------------------
+220: Ran 11 tests in 0.073s
+220: 
+220: OK
+216: ........
 216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.005s
+216: Ran 8 tests in 0.001s
 216: 
 216: OK
-217: .....
-217: ----------------------------------------------------------------------
-217: Ran 5 tests in 0.321s
-217: 
-217: OK
-214: [07:09:43] INFO: Finished.
-214: 
 221: ..
 221: ----------------------------------------------------------------------
-221: Ran 2 tests in 0.211s
+221: Ran 2 tests in 0.190s
 221: 
 221: OK
-217: .......
-217: ----------------------------------------------------------------------
-217: Ran 7 tests in 0.001s
-217: 
-217: OK
-216: ........
-216: ----------------------------------------------------------------------
-216: Ran 8 tests in 0.001s
-216: 
-216: OK
-212/222 Test #217: pythonTestDirDataStructs ...............   Passed    2.31 sec
-213/222 Test #221: pythonTestSping ........................   Passed    0.93 sec
-222: .......
-222: ----------------------------------------------------------------------
-222: Ran 7 tests in 0.059s
-222: 
-222: OK
+211/222 Test #221: pythonTestSping ........................   Passed    0.65 sec
+212/222 Test #220: pythonTestDirVLib ......................   Passed    0.90 sec
+214: [03:13:34] INFO: Reading molecules and constructing molecular database.
+214: 
+214: [03:13:34] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: 
+214: [03:13:34] INFO:   Processing 163 molecules
+214: 
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.Composite import Composite
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] INFO:   done 100
+214: 
+169: ......[03:13:34] 
+169: 
+169: ****
+169: Pre-condition Violation
+169: RingInfo not initialized
+169: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
+169: Failed Expression: df_init
+169: ****
+169: 
+169: [03:13:34] 
+169: 
+169: ****
+169: Pre-condition Violation
+169: RingInfo not initialized
+169: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
+169: Failed Expression: df_init
+169: ****
+169: 
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree.DecTree import DecTreeNode as Node
-222: ......
+179: ..[03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: no owner
+179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+179: Failed Expression: dp_mol
+179: ****
+179: 
+179: [03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: no owner
+179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+179: Failed Expression: dp_mol
+179: ****
+179: 
+179: [03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: no owner
+179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+179: Failed Expression: dp_mol
+179: ****
+179: 
+179: [03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: no owner
+179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+179: Failed Expression: dp_mol
+179: ****
+179: 
+179: [03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: no owner
+179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
+179: Failed Expression: dp_mol
+179: ****
+179: 
+179: .....[03:13:34] 
+179: 
+179: ****
+179: Range Error
+179: atomIdx1
+179: Violation occurred on line 377 in file ./Code/GraphMol/RWMol.cpp
+179: Failed Expression: 0 < 0
+179: ****
+179: 
+179: ......[03:13:34] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+179: [03:13:34] ERROR: Smiles parse error on line 0
+179: [03:13:34] ERROR: Cannot create molecule from : 'c1ccccc'
+179: [03:13:34] SMILES Parse Error: extra open parentheses for input: 'C(C'
+179: [03:13:34] ERROR: Smiles parse error on line 3
+179: [03:13:34] ERROR: Cannot create molecule from : 'C(C'
+179: [03:13:34] Explicit valence for atom # 1 C, 5, is greater than permitted
+179: [03:13:34] ERROR: Could not sanitize molecule on line 6
+179: [03:13:34] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+179: [03:13:34] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+179: [03:13:34] ERROR: Smiles parse error on line 0
+179: [03:13:34] ERROR: Cannot create molecule from : 'c1ccccc'
+179: [03:13:34] SMILES Parse Error: extra open parentheses for input: 'C(C'
+179: [03:13:34] ERROR: Smiles parse error on line 3
+179: [03:13:34] ERROR: Cannot create molecule from : 'C(C'
+179: [03:13:34] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
+179: [03:13:34] ERROR: Smiles parse error on line 6
+179: [03:13:34] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
+179: [03:13:34] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:34] ERROR: Could not sanitize molecule ending on line 21
+179: [03:13:34] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:34] ERROR: EOF hit while reading atoms
+179: [03:13:34] ERROR: moving to the beginning of the next molecule
+179: [03:13:34] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:34] ERROR: Could not sanitize molecule ending on line 21
+179: [03:13:34] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:34] ERROR: EOF hit while reading atoms
+179: [03:13:34] ERROR: moving to the beginning of the next molecule
+179: ....[03:13:34] 
+179: 
+179: ****
+179: Pre-condition Violation
+179: RingInfo not initialized
+179: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp
+179: Failed Expression: df_init
+179: ****
+179: 
+179: ..........[03:13:34] 
+179: 
+179: ****
+179: Range Error
+179: idx
+179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp
+179: Failed Expression: 3 < 1
+179: ****
+179: 
+179: ..[03:13:34] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+179: ..........................[03:13:34] SMILES Parse Error: unclosed ring for input: 'C1CC'
+179: ......[03:13:35] WARNING: not removing hydrogen atom without neighbors
+179: [03:13:35] WARNING: not removing hydrogen atom with dummy atom neighbors
+179: [03:13:35] WARNING: not removing hydrogen atom with wedged bond
+179: [03:13:35] WARNING: not removing hydrogen atom without neighbors
+179: [03:13:35] WARNING: not removing hydrogen atom with dummy atom neighbors
+214: [03:13:35] INFO: Generating fingerprints and descriptors:
+214: 
+222: .......
 222: ----------------------------------------------------------------------
-222: Ran 6 tests in 0.022s
+222: Ran 7 tests in 0.070s
 222: 
 222: OK
 216: ....
 216: ----------------------------------------------------------------------
-216: Ran 4 tests in 0.178s
+216: Ran 4 tests in 0.289s
 216: 
 216: OK
-214: [07:09:43] INFO: Reading molecules and constructing molecular database.
-214: 
-214: [07:09:43] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-214: 
-214: [07:09:43] INFO:   Processing 163 molecules
-214: 
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: ....[07:09:43] 
+179: .....[03:13:35] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+179: .[03:13:35] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:35] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:35] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:35] Explicit valence for atom # 1 F, 2, is greater than permitted
+179: [03:13:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+179: [03:13:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+179: [03:13:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+179: ..........[03:13:35] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+179: [03:13:35] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+179: .[03:13:35] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+179: ..[03:13:35] SMILES Parse Error: syntax error while parsing: error
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
+179: [03:13:35] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
+179: [03:13:35] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
+179: ................[03:13:35] SMILES Parse Error: syntax error while parsing: garbage_0
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
+179: [03:13:35] SMILES Parse Error: syntax error while parsing: garbage_2
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
+179: [03:13:35] SMILES Parse Error: syntax error while parsing: garbage_4
+179: [03:13:35] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+179: ..........
+179: ----------------------------------------------------------------------
+179: Ran 248 tests in 10.329s
+179: 
+179: OK
+179: 863
+179: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
+179: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
+179: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
+213/222 Test #179: pyGraphMolWrap .........................   Passed   10.65 sec
+222: ......
+222: ----------------------------------------------------------------------
+222: Ran 6 tests in 0.053s
+222: 
+222: OK
+216: .....
+216: ----------------------------------------------------------------------
+216: Ran 5 tests in 0.002s
+216: 
+216: OK
+222: ....[03:13:35] 
 222: 
 222: ****
 222: Pre-condition Violation
@@ -24775,173 +25082,29 @@
 222: Ran 5 tests in 0.006s
 222: 
 222: OK
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-216: .....
+216: .........
 216: ----------------------------------------------------------------------
-216: Ran 5 tests in 0.001s
+216: Ran 9 tests in 0.006s
 216: 
 216: OK
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] INFO:   done 100
-214: 
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-216: .........
+216: ............
 216: ----------------------------------------------------------------------
-216: Ran 9 tests in 0.002s
+216: Ran 12 tests in 0.001s
 216: 
 216: OK
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.005s
+222: Ran 4 tests in 0.006s
 222: 
 222: OK
-214: [07:09:44] INFO: Generating fingerprints and descriptors:
-214: 
-216: ............
-216: ----------------------------------------------------------------------
-216: Ran 12 tests in 0.001s
-216: 
-216: OK
 216: .....
 216: ----------------------------------------------------------------------
-216: Ran 5 tests in 0.007s
+216: Ran 5 tests in 0.016s
 216: 
 216: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.005s
+222: Ran 2 tests in 0.008s
 222: 
 222: OK
 222: ......................
@@ -24949,6 +25112,11 @@
 222: Ran 22 tests in 0.018s
 222: 
 222: OK
+222: .....s.................ss
+222: ----------------------------------------------------------------------
+222: Ran 25 tests in 0.073s
+222: 
+222: OK (skipped=3)
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTreeUtils.py:8: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree import TreeUtils
 216: .
@@ -24956,935 +25124,644 @@
 216: Ran 1 test in 0.000s
 216: 
 216: OK
-222: .....s.................ss
-222: ----------------------------------------------------------------------
-222: Ran 25 tests in 0.071s
-222: 
-222: OK (skipped=3)
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTree.py:13: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree import Tree
 216: ......
 216: ----------------------------------------------------------------------
-216: Ran 6 tests in 0.001s
+216: Ran 6 tests in 0.002s
 216: 
 216: OK
-216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestXVal.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-216:   from rdkit.ML.DecTree import CrossValidate, randomtest
 222: ..s
 222: ----------------------------------------------------------------------
-222: Ran 3 tests in 0.075s
+222: Ran 3 tests in 0.073s
 222: 
 222: OK (skipped=1)
+216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestXVal.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+216:   from rdkit.ML.DecTree import CrossValidate, randomtest
+133: [03:13:37] UFFTYPER: Unrecognized atom type: S_6+6 (0)
+133: [03:13:37] UFFTYPER: Warning: hybridization set to SP3 for atom 0
+133: [03:13:37] UFFTYPER: Unrecognized charge state for atom: 0
+133: ===============================================================================
+133: All tests passed (448 assertions in 10 test cases)
+133: 
+214/222 Test #133: distGeomHelpersCatch ...................   Passed   27.31 sec
 216: ....
 216: ----------------------------------------------------------------------
-216: Ran 4 tests in 0.228s
+216: Ran 4 tests in 0.331s
 216: 
 216: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestID3.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree import ID3
 216: ......
 216: ----------------------------------------------------------------------
-216: Ran 6 tests in 0.019s
+216: Ran 6 tests in 0.010s
 216: 
 216: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestPrune.py:9: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree import ID3, CrossValidate, PruneTree
-214: [07:09:45] INFO: Finished.
-214: 
 216: ..
 216: ----------------------------------------------------------------------
-216: Ran 2 tests in 0.080s
+216: Ran 2 tests in 0.121s
 216: 
 216: OK
-179: ..[07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: no owner
-179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-179: Failed Expression: dp_mol
-179: ****
-179: 
-179: [07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: no owner
-179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-179: Failed Expression: dp_mol
-179: ****
-179: 
-179: [07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: no owner
-179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-179: Failed Expression: dp_mol
-179: ****
-179: 
-179: [07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: no owner
-179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-179: Failed Expression: dp_mol
-179: ****
-179: 
-179: [07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: no owner
-179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h
-179: Failed Expression: dp_mol
-179: ****
-179: 
-179: .....[07:09:46] 
-179: 
-179: ****
-179: Range Error
-179: atomIdx1
-179: Violation occurred on line 377 in file ./Code/GraphMol/RWMol.cpp
-179: Failed Expression: 0 < 0
-179: ****
-179: 
-179: ......[07:09:46] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-179: [07:09:46] ERROR: Smiles parse error on line 0
-179: [07:09:46] ERROR: Cannot create molecule from : 'c1ccccc'
-179: [07:09:46] SMILES Parse Error: extra open parentheses for input: 'C(C'
-179: [07:09:46] ERROR: Smiles parse error on line 3
-179: [07:09:46] ERROR: Cannot create molecule from : 'C(C'
-179: [07:09:46] Explicit valence for atom # 1 C, 5, is greater than permitted
-179: [07:09:46] ERROR: Could not sanitize molecule on line 6
-179: [07:09:46] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-179: [07:09:46] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-179: [07:09:46] ERROR: Smiles parse error on line 0
-179: [07:09:46] ERROR: Cannot create molecule from : 'c1ccccc'
-179: [07:09:46] SMILES Parse Error: extra open parentheses for input: 'C(C'
-179: [07:09:46] ERROR: Smiles parse error on line 3
-179: [07:09:46] ERROR: Cannot create molecule from : 'C(C'
-179: [07:09:46] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
-179: [07:09:46] ERROR: Smiles parse error on line 6
-179: [07:09:46] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
-179: [07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] ERROR: Could not sanitize molecule ending on line 21
-179: [07:09:46] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] ERROR: EOF hit while reading atoms
-179: [07:09:46] ERROR: moving to the beginning of the next molecule
-179: [07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] ERROR: Could not sanitize molecule ending on line 21
-179: [07:09:46] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] ERROR: EOF hit while reading atoms
-179: [07:09:46] ERROR: moving to the beginning of the next molecule
-179: ....[07:09:46] 
-179: 
-179: ****
-179: Pre-condition Violation
-179: RingInfo not initialized
-179: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp
-179: Failed Expression: df_init
-179: ****
-179: 
-179: ..........[07:09:46] 
-179: 
-179: ****
-179: Range Error
-179: idx
-179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp
-179: Failed Expression: 3 < 1
-179: ****
-179: 
-179: ..[07:09:46] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-179: ..........................[07:09:46] SMILES Parse Error: unclosed ring for input: 'C1CC'
-179: ......[07:09:46] WARNING: not removing hydrogen atom without neighbors
-179: [07:09:46] WARNING: not removing hydrogen atom with dummy atom neighbors
-179: [07:09:46] WARNING: not removing hydrogen atom with wedged bond
-179: [07:09:46] WARNING: not removing hydrogen atom without neighbors
-179: [07:09:46] WARNING: not removing hydrogen atom with dummy atom neighbors
-214: .[07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: .....[07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-179: .[07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] Explicit valence for atom # 1 F, 2, is greater than permitted
-179: [07:09:46] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-179: [07:09:46] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-179: [07:09:46] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestQuantTree.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree import BuildQuantTree
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: ..........[07:09:46] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-179: [07:09:46] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-179: .[07:09:46] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: ..[07:09:46] SMILES Parse Error: syntax error while parsing: error
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
-179: [07:09:46] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
-179: [07:09:46] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: ................[07:09:46] SMILES Parse Error: syntax error while parsing: garbage_0
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
-179: [07:09:46] SMILES Parse Error: syntax error while parsing: garbage_2
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
-179: [07:09:46] SMILES Parse Error: syntax error while parsing: garbage_4
-179: [07:09:46] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: ..........
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-179: ----------------------------------------------------------------------
-179: Ran 248 tests in 10.583s
-179: 
-179: OK
-179: 1000
-179: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
-179: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
-179: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214/222 Test #179: pyGraphMolWrap .........................   Passed   11.30 sec
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: ..........
 216: ----------------------------------------------------------------------
-216: Ran 10 tests in 0.008s
+216: Ran 10 tests in 0.006s
 216: 
 216: OK
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 222: ...................................
 222: ----------------------------------------------------------------------
-222: Ran 35 tests in 1.076s
+222: Ran 35 tests in 1.062s
 222: 
 222: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestSigTree.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.DecTree.BuildSigTree import BuildSigTree, _GenerateRandomEnsemble
 216: .....
 216: ----------------------------------------------------------------------
-216: Ran 5 tests in 0.032s
+216: Ran 5 tests in 0.030s
 216: 
 216: OK
-214: .[07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: ....
-222: ----------------------------------------------------------------------
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: Ran 4 tests in 0.012s
-222: 
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: OK
-214: [07:09:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: ..
 216: ----------------------------------------------------------------------
 216: Ran 2 tests in 0.002s
 216: 
 216: OK
+222: ....
+222: ----------------------------------------------------------------------
+222: Ran 4 tests in 0.010s
+222: 
+222: OK
+169: .............
+169: ----------------------------------------------------------------------
+169: Ran 19 tests in 18.623s
+169: 
+169: OK
+169: Testing atom rings
+169: testing bond rings
+169: searching atom rings
+169: searching bond rings
+169: done
+215/222 Test #169: pySubstructLibrary .....................   Passed   18.88 sec
 216: .....
 216: ----------------------------------------------------------------------
-216: Ran 5 tests in 0.008s
+216: Ran 5 tests in 0.006s
 216: 
 216: OK
 222: .
 222: ----------------------------------------------------------------------
-222: Ran 1 test in 0.007s
+222: Ran 1 test in 0.005s
 222: 
 222: OK
-214: .[07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: ...
 216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.014s
+216: Ran 3 tests in 0.006s
 216: 
 216: OK
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 222: .......
 222: ----------------------------------------------------------------------
-222: Ran 7 tests in 0.024s
-222: 
-222: OK
-222: ...
-222: ----------------------------------------------------------------------
-222: Ran 3 tests in 0.027s
+222: Ran 7 tests in 0.031s
 222: 
 222: OK
 216: ...
 216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.148s
+216: Ran 3 tests in 0.147s
 216: 
 216: OK
+222: ...
+222: ----------------------------------------------------------------------
+222: Ran 3 tests in 0.036s
+222: 
+222: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/KNN/UnitTestKNN.py:11: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.KNN import (CrossValidate, DistFunctions, KNNModel,
+214: [03:13:39] INFO: Finished.
+214: 
 216: ......
 216: ----------------------------------------------------------------------
-216: Ran 6 tests in 0.162s
+216: Ran 6 tests in 0.158s
 216: 
 216: OK
-222: .ss.ss.......
-222: ----------------------------------------------------------------------
-222: Ran 13 tests in 0.515s
-222: 
-222: OK (skipped=4)
+214: .[03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.Composite import Composite
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.ModelPackage import Packager, PackageUtils
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:72: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   model = pickle.load(modelF)
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: .......
 216: ----------------------------------------------------------------------
-216: Ran 7 tests in 0.071s
+216: Ran 7 tests in 0.084s
 216: 
 216: OK
-222: [07:09:48] Molecule does not have explicit Hs. Consider calling AddHs()
-222: .[07:09:48] Molecule does not have explicit Hs. Consider calling AddHs()
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: .ss.ss.......
+222: ----------------------------------------------------------------------
+222: Ran 13 tests in 0.496s
+222: 
+222: OK (skipped=4)
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: [03:13:40] Molecule does not have explicit Hs. Consider calling AddHs()
+222: .[03:13:40] Molecule does not have explicit Hs. Consider calling AddHs()
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/NaiveBayes/UnitTestNB.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.NaiveBayes import CrossValidate
 216: ....
 216: ----------------------------------------------------------------------
-216: Ran 4 tests in 0.009s
+216: Ran 4 tests in 0.006s
 216: 
 216: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestTrainer.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 216:   from rdkit.ML.Neural import Network, Trainers
-214: ....[07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: .[03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: .[03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: .....
 216: ----------------------------------------------------------------------
-216: Ran 5 tests in 1.445s
+216: Ran 5 tests in 0.876s
 216: 
 216: OK
 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestOther.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
@@ -25894,835 +25771,991 @@
 216: Ran 4 tests in 0.001s
 216: 
 216: OK
-214: .[07:09:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 216: ....
 216: ----------------------------------------------------------------------
-216: Ran 4 tests in 0.001s
+216: Ran 4 tests in 0.000s
 216: 
 216: OK
-133: [07:09:51] UFFTYPER: Unrecognized atom type: S_6+6 (0)
-133: [07:09:51] UFFTYPER: Warning: hybridization set to SP3 for atom 0
-133: [07:09:51] UFFTYPER: Unrecognized charge state for atom: 0
 216: ....
 216: ----------------------------------------------------------------------
-216: Ran 4 tests in 0.002s
+216: Ran 4 tests in 0.003s
 216: 
 216: OK
-215/222 Test #216: pythonTestDirML ........................   Passed   11.11 sec
-214: .[07:09:51] INFO: Reading molecules and constructing molecular database.
+216/222 Test #216: pythonTestDirML ........................   Passed    9.57 sec
+214: ....[03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: .[03:13:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: .[03:13:44] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:51] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:44] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:51] INFO:   Processing 10 molecules
+214: [03:13:44] INFO:   Processing 10 molecules
 214: 
-133: ===============================================================================
-133: All tests passed (448 assertions in 10 test cases)
-133: 
-216/222 Test #133: distGeomHelpersCatch ...................   Passed   35.50 sec
-214: [07:09:52] INFO: Generating fingerprints and descriptors:
+214: [03:13:45] INFO: Generating fingerprints and descriptors:
 214: 
-214: [07:09:52] INFO: Finished.
+214: [03:13:45] INFO: Finished.
 214: 
-214: [07:09:53] INFO: Reading molecules and constructing molecular database.
+214: [03:13:46] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:53] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:46] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:53] INFO:   Processing 10 molecules
+214: [03:13:46] INFO:   Processing 10 molecules
 214: 
-214: [07:09:53] INFO: Generating fingerprints and descriptors:
+214: [03:13:46] INFO: Generating fingerprints and descriptors:
 214: 
-214: [07:09:53] INFO: Finished.
+214: [03:13:46] INFO: Finished.
 214: 
-214: [07:09:54] INFO: Reading molecules and constructing molecular database.
+214: [03:13:46] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:54] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:46] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:54] INFO:   Processing 10 molecules
+214: [03:13:46] INFO:   Processing 10 molecules
 214: 
-214: [07:09:54] INFO: Generating fingerprints and descriptors:
+214: [03:13:47] INFO: Generating fingerprints and descriptors:
 214: 
-214: [07:09:54] INFO: Finished.
+214: [03:13:47] INFO: Finished.
 214: 
-214: [07:09:55] INFO: Reading molecules and constructing molecular database.
+214: [03:13:47] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:55] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:47] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:55] INFO: Generating fingerprints and descriptors:
+214: [03:13:47] INFO: Generating fingerprints and descriptors:
 214: 
-214: [07:09:55] INFO: Finished.
+214: [03:13:47] INFO: Finished.
 214: 
-214: [07:09:55] INFO: Reading molecules and constructing molecular database.
+214: [03:13:48] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:55] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:48] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:56] INFO: Generating fingerprints and descriptors:
+214: [03:13:49] INFO: Generating fingerprints and descriptors:
 214: 
-214: [07:09:56] INFO: Finished.
+214: [03:13:49] INFO: Finished.
 214: 
-214: .[07:09:56] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong.
+214: .[03:13:49] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong.
 214: 
-214: [07:09:56] INFO: Reading molecules and constructing molecular database.
+214: [03:13:49] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:56] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+214: [03:13:49] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:56] INFO:   Processing 163 molecules
+214: [03:13:49] INFO:   Processing 163 molecules
 214: 
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] INFO:   done 100
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] INFO:   done 100
 214: 
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:50] INFO: Generating fingerprints and descriptors:
+214: 
+132: [03:13:50]   done
+214: [03:13:50] INFO: Finished.
+214: 
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+214: [03:13:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 157: ===============================================================================
 157: All tests passed (93 assertions in 5 test cases)
 157: 
-217/222 Test #157: testRascalCluster ......................   Passed   33.95 sec
-214: [07:09:57] INFO: Generating fingerprints and descriptors:
-214: 
-214: [07:09:57] INFO: Finished.
-214: 
-132: [07:09:57]   done
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: [07:09:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-214: .[07:09:59] INFO: Reading molecules and constructing molecular database.
-214: 
-214: [07:09:59] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-214: 
-214: [07:09:59] INFO:   Processing 10 molecules
+217/222 Test #157: testRascalCluster ......................   Passed   36.13 sec
+214: .[03:13:52] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:09:59] INFO: Generating fingerprints and descriptors:
+214: [03:13:52] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: [07:09:59] INFO: Finished.
-214: 
-214: [07:10:00] INFO: Reading molecules and constructing molecular database.
-214: 
-214: [07:10:00] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-214: 
-214: [07:10:00] INFO:   Processing 10 molecules
+214: [03:13:52] INFO:   Processing 10 molecules
 214: 
 132: CNC[C@H]1CC[C@H](C[NH3+])CC1
+214: [03:13:53] INFO: Generating fingerprints and descriptors:
+214: 
 132: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
 132: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
+5: [03:13:54] Finished: testMultipleTimes() 
+5: [03:13:54] 
+5: -----------------------------------------
+218/222 Test   #5: testConcurrentQueue ....................   Passed   53.19 sec
 132: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12
+214: [03:13:54] INFO: Finished.
+214: 
 132: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
-214: [07:10:02] INFO: Generating fingerprints and descriptors:
+132: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
+214: [03:13:55] INFO: Reading molecules and constructing molecular database.
 214: 
-214: [07:10:02] INFO: Finished.
+214: [03:13:55] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 214: 
-214: .
-214: ----------------------------------------------------------------------
-214: Ran 12 tests in 22.222s
+214: [03:13:55] INFO:   Processing 10 molecules
 214: 
-214: OK
-218/222 Test #214: pythonTestDbCLI ........................   Passed   22.49 sec
-132: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
 132: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 132: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 132: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 132: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
 132: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
-132: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
-222: ....................[07:10:06] WARNING: More than one matching pattern found - picking one
+222: ....................[03:13:57] WARNING: More than one matching pattern found - picking one
 222: 
-222: [07:10:06] WARNING: More than one matching pattern found - picking one
+222: [03:13:57] WARNING: More than one matching pattern found - picking one
 222: 
-132: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
-222: .[07:10:06] WARNING: More than one matching pattern found - picking one
+222: .[03:13:57] WARNING: More than one matching pattern found - picking one
 222: 
+214: [03:13:57] INFO: Generating fingerprints and descriptors:
+214: 
+214: [03:13:57] INFO: Finished.
+214: 
+214: .
+214: ----------------------------------------------------------------------
+214: Ran 12 tests in 25.061s
+214: 
+214: OK
+219/222 Test #214: pythonTestDbCLI ........................   Passed   25.49 sec
+132: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
+132: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
 132: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
 132: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
-132: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
-132: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
 222: ...
 222: ----------------------------------------------------------------------
-222: Ran 25 tests in 19.433s
+222: Ran 25 tests in 18.590s
 222: 
 222: OK
-222: {'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'}
-222: {'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'}
-222: {'F[C@H](Cl)[C@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl'}
+222: {'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'}
+222: {'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'}
+222: {'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl'}
 222: !!!! ['C[C@H]([C@H](C)Br)[C@@H](C)F', 'C[C@@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)Br)[C@@H](C)F', 'C[C@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)F)[C@H](C)Br', 'C[C@@H]([C@H](C)F)[C@@H](C)Br', 'C[C@H]([C@H](C)F)[C@H](C)Br', 'C[C@H]([C@H](C)F)[C@@H](C)Br']
 222: ........
 222: ----------------------------------------------------------------------
-222: Ran 8 tests in 0.074s
+222: Ran 8 tests in 0.083s
 222: 
 222: OK
+132: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
+222: .[03:13:59] Molecule does not have explicit Hs. Consider calling AddHs()
+132: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
 132: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
-222: .[07:10:08] Molecule does not have explicit Hs. Consider calling AddHs()
 132: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
 132: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
 156: ===============================================================================
 156: All tests passed (2552 assertions in 23 test cases)
 156: 
-219/222 Test #156: testRascalMCES .........................   Passed   49.15 sec
-222: .....[07:10:11] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:11] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:11] WARNING: not removing hydrogen atom without neighbors
-222: ....[07:10:11] WARNING: not removing hydrogen atom without neighbors
+220/222 Test #156: testRascalMCES .........................   Passed   47.21 sec
+222: .....[03:14:02] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:02] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:02] WARNING: not removing hydrogen atom without neighbors
+222: ....[03:14:02] WARNING: not removing hydrogen atom without neighbors
 222: ......
 222: ----------------------------------------------------------------------
-222: Ran 16 tests in 2.271s
+222: Ran 16 tests in 2.578s
 222: 
 222: OK
 132: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
 132: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+132: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.899s
+222: Ran 4 tests in 1.114s
 222: 
 222: OK
-132: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
+132: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
+132: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
 222: ......
 222: ----------------------------------------------------------------------
-222: Ran 6 tests in 0.210s
+222: Ran 6 tests in 0.262s
 222: 
 222: OK
-132: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
-132: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
 132: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
 132: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
 222: ......./build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.
 222:   for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]
+132: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
+132: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
 222: ./build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.
 222:   for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]
-132: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
-5: [07:10:15] Finished: testMultipleTimes() 
-5: [07:10:15] 
-5: -----------------------------------------
-220/222 Test   #5: testConcurrentQueue ....................   Passed   65.57 sec
 222: ...../build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.
 222:   for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]
 222: /build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.
 222:   for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]
+132: [03:14:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [03:14:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 222: ..s..s.........
 222: ----------------------------------------------------------------------
-222: Ran 28 tests in 1.698s
+222: Ran 28 tests in 1.821s
 222: 
 222: OK (skipped=2)
-132: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
-132: [07:10:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [07:10:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [07:10:21] Molecule does not have explicit Hs. Consider calling AddHs()
-221/222 Test #132: testDistGeomHelpers ....................   Passed   64.95 sec
-222: ..............[07:10:21] WARNING: More than one matching pattern found - picking one
+132: [03:14:12] Molecule does not have explicit Hs. Consider calling AddHs()
+221/222 Test #132: testDistGeomHelpers ....................   Passed   62.20 sec
+222: ..............[03:14:12] WARNING: More than one matching pattern found - picking one
 222: 
-222: [07:10:21] WARNING: More than one matching pattern found - picking one
+222: [03:14:12] WARNING: More than one matching pattern found - picking one
 222: 
-222: ..[07:10:21] Molecule does not have explicit Hs. Consider calling AddHs()
-222: [07:10:21] Molecule does not have explicit Hs. Consider calling AddHs()
-222: [07:10:21] Molecule does not have explicit Hs. Consider calling AddHs()
-222: [07:10:21] Molecule does not have explicit Hs. Consider calling AddHs()
+222: ..[03:14:13] Molecule does not have explicit Hs. Consider calling AddHs()
+222: [03:14:13] Molecule does not have explicit Hs. Consider calling AddHs()
+222: [03:14:13] Molecule does not have explicit Hs. Consider calling AddHs()
+222: [03:14:13] Molecule does not have explicit Hs. Consider calling AddHs()
 222: .........
 222: ----------------------------------------------------------------------
-222: Ran 25 tests in 5.313s
+222: Ran 25 tests in 5.371s
 222: 
 222: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.028s
+222: Ran 2 tests in 0.029s
 222: 
 222: OK
 222: ..s...
 222: ----------------------------------------------------------------------
-222: Ran 6 tests in 0.586s
+222: Ran 6 tests in 0.577s
 222: 
 222: OK (skipped=1)
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.017s
+222: Ran 2 tests in 0.016s
 222: 
 222: OK
 222: ..............
 222: ----------------------------------------------------------------------
-222: Ran 14 tests in 2.508s
+222: Ran 14 tests in 2.221s
 222: 
 222: OK
-222: ..[07:10:31] WARNING: not removing hydrogen atom without neighbors
-222: .[07:10:31] WARNING: not removing hydrogen atom without neighbors
-222: .[07:10:31] WARNING: no name column found on line 1
-222: [07:10:31] WARNING: no name column found on line 2
-222: [07:10:31] WARNING: no name column found on line 3
-222: [07:10:31] WARNING: no name column found on line 4
-222: [07:10:31] WARNING: no name column found on line 5
-222: [07:10:31] WARNING: no name column found on line 6
-222: [07:10:31] WARNING: no name column found on line 7
-222: [07:10:31] WARNING: no name column found on line 8
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-222: [07:10:31] WARNING: no name column found on line 10
-222: [07:10:31] WARNING: no name column found on line 11
-222: [07:10:31] WARNING: no name column found on line 12
-222: [07:10:31] WARNING: no name column found on line 13
-222: [07:10:31] WARNING: no name column found on line 14
-222: [07:10:31] WARNING: no name column found on line 15
-222: [07:10:31] WARNING: no name column found on line 16
-222: [07:10:31] WARNING: no name column found on line 17
-222: [07:10:31] WARNING: no name column found on line 18
-222: [07:10:31] WARNING: no name column found on line 19
-222: [07:10:31] WARNING: no name column found on line 20
-222: [07:10:31] WARNING: no name column found on line 21
-222: [07:10:31] WARNING: no name column found on line 22
-222: [07:10:31] WARNING: no name column found on line 23
-222: [07:10:31] WARNING: no name column found on line 24
-222: [07:10:31] WARNING: no name column found on line 25
-222: [07:10:31] WARNING: no name column found on line 26
-222: [07:10:31] WARNING: no name column found on line 27
-222: [07:10:31] WARNING: no name column found on line 28
-222: [07:10:31] WARNING: no name column found on line 29
-222: [07:10:31] WARNING: no name column found on line 30
-222: [07:10:31] WARNING: no name column found on line 31
-222: [07:10:31] WARNING: no name column found on line 32
-222: [07:10:31] WARNING: no name column found on line 33
-222: [07:10:31] WARNING: no name column found on line 34
-222: [07:10:31] WARNING: no name column found on line 35
-222: [07:10:31] WARNING: no name column found on line 36
-222: [07:10:31] WARNING: no name column found on line 37
-222: [07:10:31] WARNING: no name column found on line 38
-222: [07:10:31] WARNING: no name column found on line 39
-222: [07:10:31] WARNING: no name column found on line 40
-222: [07:10:31] WARNING: no name column found on line 41
-222: [07:10:31] WARNING: no name column found on line 42
-222: [07:10:31] WARNING: no name column found on line 43
-222: [07:10:31] WARNING: no name column found on line 44
-222: [07:10:31] WARNING: no name column found on line 45
-222: [07:10:31] WARNING: no name column found on line 46
-222: [07:10:31] WARNING: no name column found on line 47
-222: [07:10:31] WARNING: no name column found on line 48
-222: [07:10:31] WARNING: no name column found on line 49
-222: [07:10:31] WARNING: no name column found on line 50
-222: [07:10:31] WARNING: no name column found on line 51
-222: [07:10:31] WARNING: no name column found on line 52
-222: [07:10:31] WARNING: no name column found on line 53
-222: [07:10:31] WARNING: no name column found on line 54
-222: [07:10:31] WARNING: no name column found on line 55
-222: [07:10:31] WARNING: no name column found on line 56
-222: [07:10:31] WARNING: no name column found on line 57
-222: [07:10:31] WARNING: no name column found on line 58
-222: [07:10:31] WARNING: no name column found on line 59
-222: [07:10:31] WARNING: no name column found on line 60
-222: [07:10:31] WARNING: no name column found on line 61
-222: [07:10:31] WARNING: no name column found on line 62
-222: [07:10:31] WARNING: no name column found on line 63
-222: [07:10:31] WARNING: no name column found on line 64
-222: [07:10:31] WARNING: no name column found on line 65
-222: [07:10:31] WARNING: no name column found on line 66
-222: [07:10:31] WARNING: no name column found on line 67
-222: [07:10:31] WARNING: no name column found on line 68
-222: [07:10:31] WARNING: no name column found on line 69
-222: [07:10:31] WARNING: no name column found on line 70
-222: [07:10:31] WARNING: no name column found on line 71
-222: [07:10:31] WARNING: no name column found on line 72
-222: [07:10:31] WARNING: no name column found on line 73
-222: [07:10:31] WARNING: no name column found on line 74
-222: [07:10:31] WARNING: no name column found on line 75
-222: [07:10:31] WARNING: no name column found on line 76
-222: [07:10:31] WARNING: no name column found on line 77
-222: [07:10:31] WARNING: no name column found on line 78
-222: [07:10:31] WARNING: no name column found on line 79
-222: [07:10:31] WARNING: no name column found on line 80
-222: [07:10:31] WARNING: no name column found on line 81
-222: [07:10:31] WARNING: no name column found on line 82
-222: [07:10:31] WARNING: no name column found on line 83
-222: [07:10:31] WARNING: no name column found on line 84
-222: [07:10:31] WARNING: no name column found on line 85
-222: [07:10:31] WARNING: no name column found on line 86
-222: [07:10:31] WARNING: no name column found on line 87
-222: [07:10:31] WARNING: no name column found on line 88
-222: [07:10:31] WARNING: no name column found on line 89
-222: [07:10:31] WARNING: no name column found on line 90
-222: [07:10:31] WARNING: no name column found on line 91
-222: [07:10:31] WARNING: no name column found on line 92
-222: [07:10:31] WARNING: no name column found on line 93
-222: [07:10:31] WARNING: no name column found on line 94
-222: [07:10:31] WARNING: no name column found on line 95
-222: [07:10:31] WARNING: no name column found on line 96
-222: [07:10:31] WARNING: no name column found on line 97
-222: [07:10:31] WARNING: no name column found on line 98
-222: [07:10:31] WARNING: no name column found on line 99
-222: [07:10:31] WARNING: no name column found on line 100
-222: [07:10:31] WARNING: no name column found on line 101
-222: [07:10:31] WARNING: no name column found on line 102
-222: [07:10:31] WARNING: no name column found on line 103
-222: [07:10:31] WARNING: no name column found on line 104
-222: [07:10:31] WARNING: no name column found on line 105
-222: [07:10:31] WARNING: no name column found on line 106
-222: [07:10:31] WARNING: no name column found on line 107
-222: [07:10:31] WARNING: no name column found on line 108
-222: [07:10:31] WARNING: no name column found on line 109
-222: [07:10:31] WARNING: no name column found on line 110
-222: [07:10:31] WARNING: no name column found on line 111
-222: [07:10:31] WARNING: no name column found on line 112
-222: [07:10:31] WARNING: no name column found on line 113
-222: [07:10:31] WARNING: no name column found on line 114
-222: [07:10:31] WARNING: no name column found on line 115
-222: [07:10:31] WARNING: no name column found on line 116
-222: [07:10:31] WARNING: no name column found on line 117
-222: [07:10:31] WARNING: no name column found on line 118
-222: [07:10:31] WARNING: no name column found on line 119
-222: [07:10:31] WARNING: no name column found on line 120
-222: [07:10:31] WARNING: no name column found on line 121
-222: [07:10:31] WARNING: no name column found on line 122
-222: [07:10:31] WARNING: no name column found on line 123
-222: [07:10:31] WARNING: no name column found on line 124
-222: [07:10:31] WARNING: no name column found on line 125
-222: [07:10:31] WARNING: no name column found on line 126
-222: [07:10:31] WARNING: no name column found on line 127
-222: [07:10:31] WARNING: no name column found on line 128
-222: [07:10:31] WARNING: no name column found on line 129
-222: [07:10:31] WARNING: no name column found on line 130
-222: [07:10:31] WARNING: no name column found on line 131
-222: [07:10:31] WARNING: no name column found on line 132
-222: [07:10:31] WARNING: no name column found on line 133
-222: [07:10:31] WARNING: no name column found on line 134
-222: [07:10:31] WARNING: no name column found on line 135
-222: [07:10:31] WARNING: no name column found on line 136
-222: [07:10:31] WARNING: no name column found on line 137
-222: [07:10:31] WARNING: no name column found on line 138
-222: [07:10:31] WARNING: no name column found on line 139
-222: [07:10:31] WARNING: no name column found on line 140
-222: [07:10:31] WARNING: no name column found on line 141
-222: [07:10:31] WARNING: no name column found on line 142
-222: [07:10:31] WARNING: no name column found on line 143
-222: [07:10:31] WARNING: no name column found on line 144
-222: [07:10:31] WARNING: no name column found on line 145
-222: [07:10:31] WARNING: no name column found on line 146
-222: [07:10:31] WARNING: no name column found on line 147
-222: [07:10:31] WARNING: no name column found on line 148
-222: [07:10:31] WARNING: no name column found on line 149
-222: [07:10:31] WARNING: no name column found on line 150
-222: [07:10:31] WARNING: no name column found on line 151
-222: [07:10:31] WARNING: no name column found on line 152
-222: [07:10:31] WARNING: no name column found on line 153
-222: [07:10:31] WARNING: no name column found on line 154
-222: [07:10:31] WARNING: no name column found on line 155
-222: [07:10:31] WARNING: no name column found on line 156
-222: [07:10:31] WARNING: no name column found on line 157
-222: [07:10:31] WARNING: no name column found on line 158
-222: [07:10:31] WARNING: no name column found on line 159
-222: [07:10:31] WARNING: no name column found on line 160
-222: [07:10:31] WARNING: no name column found on line 161
-222: [07:10:31] WARNING: no name column found on line 162
-222: [07:10:31] WARNING: no name column found on line 163
-222: [07:10:31] WARNING: no name column found on line 164
-222: [07:10:31] WARNING: no name column found on line 165
-222: [07:10:31] WARNING: no name column found on line 166
-222: [07:10:31] WARNING: no name column found on line 167
-222: [07:10:31] WARNING: no name column found on line 168
-222: [07:10:31] WARNING: no name column found on line 169
-222: [07:10:31] WARNING: no name column found on line 170
-222: [07:10:31] WARNING: no name column found on line 171
-222: [07:10:31] WARNING: no name column found on line 172
-222: [07:10:31] WARNING: no name column found on line 173
-222: [07:10:31] WARNING: no name column found on line 174
-222: [07:10:31] WARNING: no name column found on line 175
-222: [07:10:31] WARNING: no name column found on line 176
-222: [07:10:31] WARNING: no name column found on line 177
-222: [07:10:31] WARNING: no name column found on line 178
-222: [07:10:31] WARNING: no name column found on line 179
-222: [07:10:31] WARNING: no name column found on line 180
-222: [07:10:31] WARNING: no name column found on line 181
-222: [07:10:31] WARNING: no name column found on line 182
-222: [07:10:31] WARNING: no name column found on line 183
-222: [07:10:31] WARNING: no name column found on line 184
-222: [07:10:31] WARNING: no name column found on line 185
-222: [07:10:31] WARNING: no name column found on line 186
-222: [07:10:31] WARNING: no name column found on line 187
-222: [07:10:31] WARNING: no name column found on line 188
-222: [07:10:31] WARNING: no name column found on line 189
-222: [07:10:31] WARNING: no name column found on line 190
-222: [07:10:31] WARNING: no name column found on line 191
-222: [07:10:31] WARNING: no name column found on line 192
-222: [07:10:31] WARNING: no name column found on line 193
-222: [07:10:31] WARNING: no name column found on line 194
-222: [07:10:31] WARNING: no name column found on line 195
-222: [07:10:31] WARNING: no name column found on line 196
-222: [07:10:31] WARNING: no name column found on line 197
-222: [07:10:31] WARNING: no name column found on line 198
-222: [07:10:31] WARNING: no name column found on line 199
-222: [07:10:31] WARNING: no name column found on line 200
-222: [07:10:31] WARNING: no name column found on line 201
-222: [07:10:31] WARNING: no name column found on line 202
-222: [07:10:31] WARNING: no name column found on line 203
-222: [07:10:31] WARNING: no name column found on line 204
-222: [07:10:31] WARNING: no name column found on line 205
-222: [07:10:31] WARNING: no name column found on line 206
-222: [07:10:31] WARNING: no name column found on line 207
-222: [07:10:31] WARNING: no name column found on line 208
-222: [07:10:31] WARNING: no name column found on line 209
-222: [07:10:31] WARNING: no name column found on line 210
-222: [07:10:31] WARNING: no name column found on line 211
-222: [07:10:31] WARNING: no name column found on line 212
-222: [07:10:31] WARNING: no name column found on line 213
-222: [07:10:31] WARNING: no name column found on line 214
-222: [07:10:31] WARNING: no name column found on line 215
-222: [07:10:31] WARNING: no name column found on line 216
+222: ..[03:14:23] WARNING: not removing hydrogen atom without neighbors
+222: .[03:14:23] WARNING: not removing hydrogen atom without neighbors
+222: .[03:14:23] WARNING: no name column found on line 1
+222: [03:14:23] WARNING: no name column found on line 2
+222: [03:14:23] WARNING: no name column found on line 3
+222: [03:14:23] WARNING: no name column found on line 4
+222: [03:14:23] WARNING: no name column found on line 5
+222: [03:14:23] WARNING: no name column found on line 6
+222: [03:14:23] WARNING: no name column found on line 7
+222: [03:14:23] WARNING: no name column found on line 8
+222: [03:14:23] WARNING: no name column found on line 9
+222: [03:14:23] WARNING: no name column found on line 10
+222: [03:14:23] WARNING: no name column found on line 11
+222: [03:14:23] WARNING: no name column found on line 12
+222: [03:14:23] WARNING: no name column found on line 13
+222: [03:14:23] WARNING: no name column found on line 14
+222: [03:14:23] WARNING: no name column found on line 15
+222: [03:14:23] WARNING: no name column found on line 16
+222: [03:14:23] WARNING: no name column found on line 17
+222: [03:14:23] WARNING: no name column found on line 18
+222: [03:14:23] WARNING: no name column found on line 19
+222: [03:14:23] WARNING: no name column found on line 20
+222: [03:14:23] WARNING: no name column found on line 21
+222: [03:14:23] WARNING: no name column found on line 22
+222: [03:14:23] WARNING: no name column found on line 23
+222: [03:14:23] WARNING: no name column found on line 24
+222: [03:14:23] WARNING: no name column found on line 25
+222: [03:14:23] WARNING: no name column found on line 26
+222: [03:14:23] WARNING: no name column found on line 27
+222: [03:14:23] WARNING: no name column found on line 28
+222: [03:14:23] WARNING: no name column found on line 29
+222: [03:14:23] WARNING: no name column found on line 30
+222: [03:14:23] WARNING: no name column found on line 31
+222: [03:14:23] WARNING: no name column found on line 32
+222: [03:14:23] WARNING: no name column found on line 33
+222: [03:14:23] WARNING: no name column found on line 34
+222: [03:14:23] WARNING: no name column found on line 35
+222: [03:14:23] WARNING: no name column found on line 36
+222: [03:14:23] WARNING: no name column found on line 37
+222: [03:14:23] WARNING: no name column found on line 38
+222: [03:14:23] WARNING: no name column found on line 39
+222: [03:14:23] WARNING: no name column found on line 40
+222: [03:14:23] WARNING: no name column found on line 41
+222: [03:14:23] WARNING: no name column found on line 42
+222: [03:14:23] WARNING: no name column found on line 43
+222: [03:14:23] WARNING: no name column found on line 44
+222: [03:14:23] WARNING: no name column found on line 45
+222: [03:14:23] WARNING: no name column found on line 46
+222: [03:14:23] WARNING: no name column found on line 47
+222: [03:14:23] WARNING: no name column found on line 48
+222: [03:14:23] WARNING: no name column found on line 49
+222: [03:14:23] WARNING: no name column found on line 50
+222: [03:14:23] WARNING: no name column found on line 51
+222: [03:14:23] WARNING: no name column found on line 52
+222: [03:14:23] WARNING: no name column found on line 53
+222: [03:14:23] WARNING: no name column found on line 54
+222: [03:14:23] WARNING: no name column found on line 55
+222: [03:14:23] WARNING: no name column found on line 56
+222: [03:14:23] WARNING: no name column found on line 57
+222: [03:14:23] WARNING: no name column found on line 58
+222: [03:14:23] WARNING: no name column found on line 59
+222: [03:14:23] WARNING: no name column found on line 60
+222: [03:14:23] WARNING: no name column found on line 61
+222: [03:14:23] WARNING: no name column found on line 62
+222: [03:14:23] WARNING: no name column found on line 63
+222: [03:14:23] WARNING: no name column found on line 64
+222: [03:14:23] WARNING: no name column found on line 65
+222: [03:14:23] WARNING: no name column found on line 66
+222: [03:14:23] WARNING: no name column found on line 67
+222: [03:14:23] WARNING: no name column found on line 68
+222: [03:14:23] WARNING: no name column found on line 69
+222: [03:14:23] WARNING: no name column found on line 70
+222: [03:14:23] WARNING: no name column found on line 71
+222: [03:14:23] WARNING: no name column found on line 72
+222: [03:14:23] WARNING: no name column found on line 73
+222: [03:14:23] WARNING: no name column found on line 74
+222: [03:14:23] WARNING: no name column found on line 75
+222: [03:14:23] WARNING: no name column found on line 76
+222: [03:14:23] WARNING: no name column found on line 77
+222: [03:14:23] WARNING: no name column found on line 78
+222: [03:14:23] WARNING: no name column found on line 79
+222: [03:14:23] WARNING: no name column found on line 80
+222: [03:14:23] WARNING: no name column found on line 81
+222: [03:14:23] WARNING: no name column found on line 82
+222: [03:14:23] WARNING: no name column found on line 83
+222: [03:14:23] WARNING: no name column found on line 84
+222: [03:14:23] WARNING: no name column found on line 85
+222: [03:14:23] WARNING: no name column found on line 86
+222: [03:14:23] WARNING: no name column found on line 87
+222: [03:14:23] WARNING: no name column found on line 88
+222: [03:14:23] WARNING: no name column found on line 89
+222: [03:14:23] WARNING: no name column found on line 90
+222: [03:14:23] WARNING: no name column found on line 91
+222: [03:14:23] WARNING: no name column found on line 92
+222: [03:14:23] WARNING: no name column found on line 93
+222: [03:14:23] WARNING: no name column found on line 94
+222: [03:14:23] WARNING: no name column found on line 95
+222: [03:14:23] WARNING: no name column found on line 96
+222: [03:14:23] WARNING: no name column found on line 97
+222: [03:14:23] WARNING: no name column found on line 98
+222: [03:14:23] WARNING: no name column found on line 99
+222: [03:14:23] WARNING: no name column found on line 100
+222: [03:14:23] WARNING: no name column found on line 101
+222: [03:14:23] WARNING: no name column found on line 102
+222: [03:14:23] WARNING: no name column found on line 103
+222: [03:14:23] WARNING: no name column found on line 104
+222: [03:14:23] WARNING: no name column found on line 105
+222: [03:14:23] WARNING: no name column found on line 106
+222: [03:14:23] WARNING: no name column found on line 107
+222: [03:14:23] WARNING: no name column found on line 108
+222: [03:14:23] WARNING: no name column found on line 109
+222: [03:14:23] WARNING: no name column found on line 110
+222: [03:14:23] WARNING: no name column found on line 111
+222: [03:14:23] WARNING: no name column found on line 112
+222: [03:14:23] WARNING: no name column found on line 113
+222: [03:14:23] WARNING: no name column found on line 114
+222: [03:14:23] WARNING: no name column found on line 115
+222: [03:14:23] WARNING: no name column found on line 116
+222: [03:14:23] WARNING: no name column found on line 117
+222: [03:14:23] WARNING: no name column found on line 118
+222: [03:14:23] WARNING: no name column found on line 119
+222: [03:14:23] WARNING: no name column found on line 120
+222: [03:14:23] WARNING: no name column found on line 121
+222: [03:14:23] WARNING: no name column found on line 122
+222: [03:14:23] WARNING: no name column found on line 123
+222: [03:14:23] WARNING: no name column found on line 124
+222: [03:14:23] WARNING: no name column found on line 125
+222: [03:14:23] WARNING: no name column found on line 126
+222: [03:14:23] WARNING: no name column found on line 127
+222: [03:14:23] WARNING: no name column found on line 128
+222: [03:14:23] WARNING: no name column found on line 129
+222: [03:14:23] WARNING: no name column found on line 130
+222: [03:14:23] WARNING: no name column found on line 131
+222: [03:14:23] WARNING: no name column found on line 132
+222: [03:14:23] WARNING: no name column found on line 133
+222: [03:14:23] WARNING: no name column found on line 134
+222: [03:14:23] WARNING: no name column found on line 135
+222: [03:14:23] WARNING: no name column found on line 136
+222: [03:14:23] WARNING: no name column found on line 137
+222: [03:14:23] WARNING: no name column found on line 138
+222: [03:14:23] WARNING: no name column found on line 139
+222: [03:14:23] WARNING: no name column found on line 140
+222: [03:14:23] WARNING: no name column found on line 141
+222: [03:14:23] WARNING: no name column found on line 142
+222: [03:14:23] WARNING: no name column found on line 143
+222: [03:14:23] WARNING: no name column found on line 144
+222: [03:14:23] WARNING: no name column found on line 145
+222: [03:14:23] WARNING: no name column found on line 146
+222: [03:14:23] WARNING: no name column found on line 147
+222: [03:14:23] WARNING: no name column found on line 148
+222: [03:14:23] WARNING: no name column found on line 149
+222: [03:14:23] WARNING: no name column found on line 150
+222: [03:14:23] WARNING: no name column found on line 151
+222: [03:14:23] WARNING: no name column found on line 152
+222: [03:14:23] WARNING: no name column found on line 153
+222: [03:14:23] WARNING: no name column found on line 154
+222: [03:14:23] WARNING: no name column found on line 155
+222: [03:14:23] WARNING: no name column found on line 156
+222: [03:14:23] WARNING: no name column found on line 157
+222: [03:14:23] WARNING: no name column found on line 158
+222: [03:14:23] WARNING: no name column found on line 159
+222: [03:14:23] WARNING: no name column found on line 160
+222: [03:14:23] WARNING: no name column found on line 161
+222: [03:14:23] WARNING: no name column found on line 162
+222: [03:14:23] WARNING: no name column found on line 163
+222: [03:14:23] WARNING: no name column found on line 164
+222: [03:14:23] WARNING: no name column found on line 165
+222: [03:14:23] WARNING: no name column found on line 166
+222: [03:14:23] WARNING: no name column found on line 167
+222: [03:14:23] WARNING: no name column found on line 168
+222: [03:14:23] WARNING: no name column found on line 169
+222: [03:14:23] WARNING: no name column found on line 170
+222: [03:14:23] WARNING: no name column found on line 171
+222: [03:14:23] WARNING: no name column found on line 172
+222: [03:14:23] WARNING: no name column found on line 173
+222: [03:14:23] WARNING: no name column found on line 174
+222: [03:14:23] WARNING: no name column found on line 175
+222: [03:14:23] WARNING: no name column found on line 176
+222: [03:14:23] WARNING: no name column found on line 177
+222: [03:14:23] WARNING: no name column found on line 178
+222: [03:14:23] WARNING: no name column found on line 179
+222: [03:14:23] WARNING: no name column found on line 180
+222: [03:14:23] WARNING: no name column found on line 181
+222: [03:14:23] WARNING: no name column found on line 182
+222: [03:14:23] WARNING: no name column found on line 183
+222: [03:14:23] WARNING: no name column found on line 184
+222: [03:14:23] WARNING: no name column found on line 185
+222: [03:14:23] WARNING: no name column found on line 186
+222: [03:14:23] WARNING: no name column found on line 187
+222: [03:14:23] WARNING: no name column found on line 188
+222: [03:14:23] WARNING: no name column found on line 189
+222: [03:14:23] WARNING: no name column found on line 190
+222: [03:14:23] WARNING: no name column found on line 191
+222: [03:14:23] WARNING: no name column found on line 192
+222: [03:14:23] WARNING: no name column found on line 193
+222: [03:14:23] WARNING: no name column found on line 194
+222: [03:14:23] WARNING: no name column found on line 195
+222: [03:14:23] WARNING: no name column found on line 196
+222: [03:14:23] WARNING: no name column found on line 197
+222: [03:14:23] WARNING: no name column found on line 198
+222: [03:14:23] WARNING: no name column found on line 199
+222: [03:14:23] WARNING: no name column found on line 200
+222: [03:14:23] WARNING: no name column found on line 201
+222: [03:14:23] WARNING: no name column found on line 202
+222: [03:14:23] WARNING: no name column found on line 203
+222: [03:14:23] WARNING: no name column found on line 204
+222: [03:14:23] WARNING: no name column found on line 205
+222: [03:14:23] WARNING: no name column found on line 206
+222: [03:14:23] WARNING: no name column found on line 207
+222: [03:14:23] WARNING: no name column found on line 208
+222: [03:14:23] WARNING: no name column found on line 209
+222: [03:14:23] WARNING: no name column found on line 210
+222: [03:14:23] WARNING: no name column found on line 211
+222: [03:14:23] WARNING: no name column found on line 212
+222: [03:14:23] WARNING: no name column found on line 213
+222: [03:14:23] WARNING: no name column found on line 214
+222: [03:14:23] WARNING: no name column found on line 215
+222: [03:14:23] WARNING: no name column found on line 216
 222: ......
 222: ----------------------------------------------------------------------
-222: Ran 10 tests in 0.093s
+222: Ran 10 tests in 0.086s
 222: 
 222: OK
 222: ..................
 222: ----------------------------------------------------------------------
-222: Ran 18 tests in 0.608s
+222: Ran 18 tests in 0.628s
 222: 
 222: OK
 222: ...
 222: ----------------------------------------------------------------------
-222: Ran 3 tests in 0.083s
+222: Ran 3 tests in 0.085s
 222: 
 222: OK
 222: ........
 222: ----------------------------------------------------------------------
-222: Ran 8 tests in 0.020s
+222: Ran 8 tests in 0.032s
 222: 
 222: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.020s
+222: Ran 2 tests in 0.018s
 222: 
 222: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.012s
+222: Ran 2 tests in 0.010s
 222: 
 222: OK
 222: .
 222: ----------------------------------------------------------------------
-222: Ran 1 test in 0.049s
+222: Ran 1 test in 0.060s
 222: 
 222: OK
 222: ........
 222: ----------------------------------------------------------------------
-222: Ran 8 tests in 0.001s
+222: Ran 8 tests in 0.002s
 222: 
 222: OK
 222: ...
@@ -26737,27 +26770,27 @@
 222: OK
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.004s
+222: Ran 4 tests in 0.003s
 222: 
 222: OK
 222: .......
 222: ----------------------------------------------------------------------
-222: Ran 7 tests in 0.009s
+222: Ran 7 tests in 0.011s
 222: 
 222: OK
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.013s
+222: Ran 4 tests in 0.012s
 222: 
 222: OK
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 1.596s
+222: Ran 4 tests in 1.765s
 222: 
 222: OK
 222: ..........
 222: ----------------------------------------------------------------------
-222: Ran 10 tests in 0.040s
+222: Ran 10 tests in 0.035s
 222: 
 222: OK
 222: .
@@ -26767,23 +26800,23 @@
 222: OK
 222: ..........
 222: ----------------------------------------------------------------------
-222: Ran 10 tests in 0.005s
+222: Ran 10 tests in 0.004s
 222: 
 222: OK
 222: .....
 222: ----------------------------------------------------------------------
-222: Ran 5 tests in 0.050s
+222: Ran 5 tests in 0.060s
 222: 
 222: OK
-222: .........[07:10:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: [07:10:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: [07:10:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: [07:10:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: .......[07:10:43] Molecule does not have explicit Hs. Consider calling AddHs()
-222: [07:10:43] Molecule does not have explicit Hs. Consider calling AddHs()
+222: .........[03:14:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: [03:14:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: [03:14:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: [03:14:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+222: .......[03:14:35] Molecule does not have explicit Hs. Consider calling AddHs()
+222: [03:14:35] Molecule does not have explicit Hs. Consider calling AddHs()
 222: .....
 222: ----------------------------------------------------------------------
-222: Ran 21 tests in 3.670s
+222: Ran 21 tests in 3.952s
 222: 
 222: OK
 222: mol_197
@@ -26797,7 +26830,7 @@
 222: Ran 1 test in 0.000s
 222: 
 222: OK
-222: ...[07:10:44] 
+222: ...[03:14:36] 
 222: 
 222: ****
 222: Pre-condition Violation
@@ -26808,22 +26841,22 @@
 222: 
 222: .
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.014s
+222: Ran 4 tests in 0.013s
 222: 
 222: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 3.622s
+222: Ran 2 tests in 2.842s
 222: 
 222: OK
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.159s
+222: Ran 2 tests in 0.084s
 222: 
 222: OK
 222: ...
 222: ----------------------------------------------------------------------
-222: Ran 3 tests in 0.010s
+222: Ran 3 tests in 0.008s
 222: 
 222: OK
 222: ....
@@ -26831,40 +26864,40 @@
 222: Ran 4 tests in 0.015s
 222: 
 222: OK
-222: .....[07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
-222: [07:10:49] WARNING: not removing hydrogen atom without neighbors
+222: .....[03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
+222: [03:14:40] WARNING: not removing hydrogen atom without neighbors
 222: .....
 222: ----------------------------------------------------------------------
-222: Ran 10 tests in 0.287s
+222: Ran 10 tests in 0.232s
 222: 
 222: OK
 222: ssssss..........s/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu/rdkit/Chem/Draw/__init__.py:237: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually
 222:   warnings.warn(
 222: .....
 222: ----------------------------------------------------------------------
-222: Ran 22 tests in 3.279s
+222: Ran 22 tests in 2.801s
 222: 
 222: OK (skipped=7)
 222: sss.
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.311s
+222: Ran 4 tests in 0.302s
 222: 
 222: OK (skipped=3)
 222: ssss
@@ -26874,41 +26907,41 @@
 222: OK (skipped=4)
 222: ..........
 222: ----------------------------------------------------------------------
-222: Ran 10 tests in 0.595s
+222: Ran 10 tests in 0.590s
 222: 
 222: OK
-222: ...[07:10:56] SMARTS Parse Error: syntax error while parsing: boromicacid
-222: [07:10:56] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-222: [07:10:56] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-222: [07:10:56] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-222: [07:10:56] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-222: [07:10:56] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-222: [07:10:56] reaction has no reactants
-222: [07:10:56] reaction has no products
-222: [07:10:56] initialization failed
-222: [07:10:56] reaction has no reactants
-222: [07:10:56] reaction has no products
+222: ...[03:14:46] SMARTS Parse Error: syntax error while parsing: boromicacid
+222: [03:14:46] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+222: [03:14:46] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+222: [03:14:46] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+222: [03:14:46] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+222: [03:14:46] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+222: [03:14:46] reaction has no reactants
+222: [03:14:46] reaction has no products
+222: [03:14:46] initialization failed
+222: [03:14:46] reaction has no reactants
+222: [03:14:46] reaction has no products
 222: .
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.019s
+222: Ran 4 tests in 0.025s
 222: 
 222: OK
 222: ['C[C@@H](F)CN', 'C[C@@H](F)CN |a:1|', 'C[C@H](F)CN |o1:1|', 'C[C@H](F)CN |&1:1|']
 222: ....
 222: ----------------------------------------------------------------------
-222: Ran 4 tests in 0.008s
+222: Ran 4 tests in 0.009s
 222: 
 222: OK
 222: ........................
 222: ----------------------------------------------------------------------
-222: Ran 24 tests in 0.054s
+222: Ran 24 tests in 0.052s
 222: 
 222: OK
-222/222 Test #222: pythonTestDirChem ......................   Passed   74.22 sec
+222/222 Test #222: pythonTestDirChem ......................   Passed   72.77 sec
 
 100% tests passed, 0 tests failed out of 222
 
-Total Test time (real) = 106.91 sec
+Total Test time (real) = 106.31 sec
 make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-x86_64-linux-gnu'
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3'
    create-stamp debian/debhelper-build-stamp
@@ -26929,1397 +26962,1397 @@
 /usr/bin/cmake -P cmake_install.cmake
 -- Install configuration: "None"
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/six.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DistanceGeometry
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DistanceGeometry/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/SimDivFilters
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/SimDivFilters/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/SimDivFilters/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/fileutils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/cactvs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/listutils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw_qax.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/spiral.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/comhack.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/retest.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemutils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Numerics
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Numerics/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDConfig.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Avalon
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Avalon/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/BuildComposite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/files.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/Scoring.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/BitRank.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/BitClusterer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/entropy.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/CrossValidate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/ClassificationModel.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/Parser.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils/VoteImg.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/MLData.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/FindQuantBounds.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/SplitData.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Stats.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/DataUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Transforms.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Quantize.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/SigTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/Forest.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/Tree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/CrossValidate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/ID3.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/TreeVis.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/BuildSigTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/TreeUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/QuantTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/DecTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/randomtest.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/PruneTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/BuildQuantTree.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/PackageUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/Packager.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/CompositeRun.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MatOps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ScreenComposite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/GrowComposite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/Risk.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNModel.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/CrossValidate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNRegressionModel.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/DistFunctions.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNClassificationModel.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/ActFuncs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/Network.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/CrossValidate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/Trainers.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/NetNode.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/architecture.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/EnrichPlot.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Butina.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Resemblance.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Standardize.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Murtagh.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/ClusterVis.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Clusters.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/ClusterUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/murtagh_test.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/AdjustComposite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/BayesComposite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/Composite.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/AnalyzeComposite.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbInfo.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbResultSet.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbConnection.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbReport.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbModule.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbResultSet.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/StorageUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbReport.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/DbUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Dbase/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDRandom.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/README
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/formatted-strings.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/HTMLPiddler.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/pidTK.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfgen.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfdoc.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfgeom.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfutils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pidPDF.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWX.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWxDc.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/pidReportLab.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/latin1MetricsCache.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/psmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/pidPS.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/fontinfo.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/colors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt4.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/pidSVG.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/utils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/stringformat.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pagesizes.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pidtest.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.ps
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pstests.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pidtest.cpython-311.pyc
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pstests.cpython-311.pyc
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pidPIL.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pid.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/Fontmapping.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/pidPyart.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/Metric
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/Metric/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Node.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Output.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Transform.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Filter.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/demo.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SDSupply.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/SDSupply.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/NodeLib/demo.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Filter.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Output.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Node.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/Supply.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/VLib/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ForceField
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ForceField/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/HierarchyVis.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitEnsemble.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/TopNContainer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitEnsembleDb.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/VectCollection.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/LazySignature.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDLogger.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Avalon
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Avalon/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDRandom.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Descriptors3D.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SaltRemover.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fragments.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Crippen.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/testCombined.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PropertyMol.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/InchiInfo.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/MolKey.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Recap.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SATIS.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AllChem.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/BulkTester.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemicalFeatures.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PandasPatcher.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolSurf.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MCS.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/similarityMap1_out.svg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/mplCanvas.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/cairoCanvas.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/canvasbase.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/FreeSans.ttf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/IPythonConsole.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/MolDrawing.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/mplCanvas.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/aggCanvas.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/qtCanvas.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/cairoCanvas.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/similarityMap1_out.svg
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/similarityMap1_out2.svg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/spingCanvas.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/aggCanvas.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/MolDrawing.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/FreeSans.ttf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/IPythonConsole.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/spingCanvas.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/TorsionFingerprints.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Graphs.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/BulkTester.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemUtils/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/DSViewer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FilterCatalog.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SaltRemover.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Descriptors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FunctionalGroups.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MACCSkeys.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PropertyMol.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FastSDMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/QED.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolSurf.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader_sa.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader_orig.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/TemplateAlign.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ReducedGraphs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MACCSkeys.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/RegistrationHash.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/ShowFeats.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/nbtests
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/nbtests/github4823.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PandasTools.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Crippen.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Torsions.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Pairs.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Utils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Sheridan.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemicalFeatures.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PandasPatcher.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/BRICS.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EnumerateStereoisomers.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FilterCatalog.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/EState_VSA.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/AtomTypes.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/Fingerprinter.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/EState.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/AtomTypes.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/EState_VSA.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EState/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm3D/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EnumerateStereoisomers.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/inchi.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Recap.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Lipinski.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/ShowFeats.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Features/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Descriptors.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ShowMols.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/BuildFragmentCatalog.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/fmcs.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/fmcs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SATIS.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/MolKey.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/InchiInfo.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolKey/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/testCombined.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EnumerateHeterocycles.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Randomize.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/utils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/tautomer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/fragment.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/errors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/validations.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/normalize.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/metal.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/test_standardizer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/validate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/charge.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/standardize.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/resonance.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fraggle/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FragmentMatcher.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/GraphDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PyMol.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FeatMaps/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SpacialScore.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/EnumerateHeterocycles.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/GraphDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemicalForceFields.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/TorsionFingerprints.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Lipinski.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FragmentMatcher.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/BuildFragmentCatalog.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Generate.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Matcher.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Generate.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/Matcher.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Pharm2D/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Fragments.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PyMol.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader_orig.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolDb/Loader_sa.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MCS.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/RegistrationHash.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ChemicalForceFields.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/BRICS.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/ReducedGraphs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Graphs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/fmcs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/fmcs/fmcs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FunctionalGroups.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/QED.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/tautomer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/resonance.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/metal.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/validations.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/charge.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/errors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/validate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/test_standardizer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/utils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/normalize.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/fragment.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/standardize.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/PandasTools.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/inchi.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/SpacialScore.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Descriptors3D.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ForceField
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ForceField/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Numerics
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Numerics/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/psmetrics.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/pidPS.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/latin1MetricsCache.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/fontinfo.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/utils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfgen.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfdoc.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pidPDF.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfmetrics.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfutils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PDF/pdfgeom.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/pidPyart.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/Fontmapping.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/pidSVG.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pid.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/stringformat.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt4.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/HTMLPiddler.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/colors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pidPIL.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/formatted-strings.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pagesizes.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/pidReportLab.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWX.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWxDc.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pidtest.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.ps
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pstests.cpython-311.pyc
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pidtest.cpython-311.pyc
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pstests.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/pidTK.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/comhack.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/spiral.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/retest.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw_qax.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/listutils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemutils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/fileutils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/cactvs.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/files.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ScreenComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/EnrichPlot.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MatOps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Standardize.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/ClusterUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Clusters.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/murtagh_test.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Murtagh.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Resemblance.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Butina.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/ClusterVis.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/BuildSigTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/BuildQuantTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/PruneTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/randomtest.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/TreeVis.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/SigTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/CrossValidate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/ID3.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/Forest.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/TreeUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/QuantTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/Tree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/DecTree/DecTree.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/GrowComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/AnalyzeComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/Packager.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/PackageUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/ModelPackage/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/MLUtils/VoteImg.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/Scoring.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Scoring/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/BitRank.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/BitClusterer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/entropy.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/NetNode.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/Network.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/architecture.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/Trainers.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/CrossValidate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/ActFuncs.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Neural/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/Risk.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/SLT/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/CompositeRun.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/DistFunctions.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNClassificationModel.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/CrossValidate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNRegressionModel.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/KNNModel.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/KNN/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/ClassificationModel.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/CrossValidate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/NaiveBayes/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/BuildComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/MLData.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/DataUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Stats.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/FindQuantBounds.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Transforms.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/SplitData.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/Quantize.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/Parser.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/Descriptors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Descriptors/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/Composite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/AdjustComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/BayesComposite.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Composite/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/FastSDMolSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Randomize.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Sheridan.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Pairs.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Torsions.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/AtomPairs/__pycache__
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Geometry
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Geometry/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDConfig.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/six.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DistanceGeometry
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DistanceGeometry/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitEnsemble.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/VectCollection.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/LazySignature.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/HierarchyVis.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitEnsembleDb.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/BitUtils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataStructs/TopNContainer.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/TestRunner.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/__pycache__
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/Metric
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/Metric/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Salts.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Crippen.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Pains/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/rddata.sql
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/rddata.sql
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Data/Salts.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/CodingStandards.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/CodingStandards.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/wiki
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/wiki
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/RD.css
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Cookbook.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Cartridge.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/exts
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.NaiveBayes.ClassificationModel.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rdGeometry.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.AdjustComposite.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.CrossValidate.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ModelPackage.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.KNNModel.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.TreeVis.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.AnalyzeComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rdGeometry.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.AlignDepict.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.CompoundDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbReport.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.TreeUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.CrossValidate.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MatOps.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Sheridan.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.BuildQuantTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.EnrichPlot.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BuildFragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMHFPFingerprint.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.NetNode.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.BuildComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDetermineBonds.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
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+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.DecTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.Forest.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.TreeVis.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.KNNModel.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdtrajectory.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ReducedGraphs.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.DistFunctions.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SaltRemover.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.NaiveBayes.CrossValidate.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MCS.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.mplCanvas.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.SDFToCSV.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ModelPackage.PackageUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ScreenComposite.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.QuantTree.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.BuildSigTree.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.CrossValidate.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitClusterer.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.AdjustComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.CrossValidate.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdReducedGraphs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.mplCanvas.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.Composite.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.TopNContainer.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.Forest.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.TreeUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.BuildSigTree.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.canvasbase.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.BayesComposite.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.ID3.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.GraphDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.Network.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdtrajectory.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Graphs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.Tree.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDetermineBonds.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.BayesComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ModelPackage.Packager.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.rst
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+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ReducedGraphs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.QuantTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.cairoCanvas.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BRICS.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.NaiveBayes.ClassificationModel.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Randomize.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.TopNContainer.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.DistFunctions.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.aggCanvas.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.FindQuantBounds.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ModelPackage.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.CrossValidate.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.PruneTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.TemplateExpand.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clustering.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.GrowComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.CompositeRun.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ModelPackage.PackageUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.SigTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.ScreenComposite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.KNN.CrossValidate.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.Composite.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Composite.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.BuildQuantTree.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.Network.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.ID3.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.SigTree.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.qtCanvas.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.DecTree.DecTree.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemReactions.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbReport.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.GrowComposite.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MCS.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.NaiveBayes.CrossValidate.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitClusterer.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Neural.ActFuncs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemReactions.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDepictor.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.six.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.canvasbase.rst
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.NaiveBayes.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clustering.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.CompoundDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.six.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
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--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AllChem.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SaltRemover.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Cookbook.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Docs/RD.css
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/pzc
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/testData
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/README
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/MolVS
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/MolVS
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_list.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/test_list.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test_list.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_ACP_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/test_list.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test_list.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/IFG
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/IFG/README
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/IFG/README
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_list.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/README
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/TestDbCLI.py
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/TestDbCLI.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/README.md
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/test.sh
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Scripts/README.md
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/README
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/license.txt
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/CoordGen.h
@@ -28357,12 +28390,12 @@
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/test.h
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
--- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
+-- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2023.09.3
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so.1
 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so
@@ -28938,7 +28971,15 @@
 make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3'
 dh_python3 -ppython3-rdkit
 I: dh_python3 fs:418: renaming rdBase.so to rdBase.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming DistGeom.so to DistGeom.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming rdAlignment.so to rdAlignment.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming rdInfoTheory.so to rdInfoTheory.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming cQuantize.so to cQuantize.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming Clustering.so to Clustering.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming rdForceField.so to rdForceField.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming cDataStructs.so to cDataStructs.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdAbbreviations.so to rdAbbreviations.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdChemReactions.so to rdChemReactions.cpython-311-x86_64-linux-gnu.so
@@ -28977,17 +29018,9 @@
 I: dh_python3 fs:418: renaming rdqueries.so to rdqueries.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdtrajectory.so to rdtrajectory.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdMolStandardize.so to rdMolStandardize.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming rdForceField.so to rdForceField.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming rdAlignment.so to rdAlignment.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming Clustering.so to Clustering.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming rdInfoTheory.so to rdInfoTheory.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming cQuantize.so to cQuantize.cpython-311-x86_64-linux-gnu.so
+I: dh_python3 fs:418: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-311-x86_64-linux-gnu.so
 I: dh_python3 fs:418: renaming rdGeometry.so to rdGeometry.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming DistGeom.so to DistGeom.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming cDataStructs.so to cDataStructs.cpython-311-x86_64-linux-gnu.so
-I: dh_python3 fs:418: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-311-x86_64-linux-gnu.so
 dh_numpy3 -ppython3-rdkit
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3'
    dh_installsystemduser -O--buildsystem=cmake
@@ -29630,24 +29663,24 @@
 dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: Depends field of package rdkit-doc: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package rdkit-doc: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
+dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined
-dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: package rdkit-data: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
+dpkg-gencontrol: warning: package rdkit-doc: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
+dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined
    dh_md5sums -O--buildsystem=cmake
    dh_builddeb -O--buildsystem=cmake
-dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202309.3-4~exp1_amd64.deb'.
 dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202309.3-4~exp1_amd64.deb'.
+dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202309.3-4~exp1_amd64.deb'.
 dpkg-deb: building package 'postgresql-16-rdkit' in '../postgresql-16-rdkit_202309.3-4~exp1_amd64.deb'.
+dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202309.3-4~exp1_all.deb'.
+dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202309.3-4~exp1_amd64.deb'.
 dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202309.3-4~exp1_amd64.deb'.
-dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202309.3-4~exp1_amd64.deb'.
 dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202309.3-4~exp1_amd64.deb'.
-dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202309.3-4~exp1_all.deb'.
 dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202309.3-4~exp1_all.deb'.
 dpkg-deb: building package 'postgresql-16-rdkit-dbgsym' in '../postgresql-16-rdkit-dbgsym_202309.3-4~exp1_amd64.deb'.
  dpkg-genbuildinfo --build=binary -O../rdkit_202309.3-4~exp1_amd64.buildinfo
@@ -29657,12 +29690,14 @@
 dpkg-buildpackage: info: binary-only upload (no source included)
 dpkg-genchanges: info: not including original source code in upload
 I: copying local configuration
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/3300436/tmp/hooks/B01_cleanup finished
 I: unmounting dev/ptmx filesystem
 I: unmounting dev/pts filesystem
 I: unmounting dev/shm filesystem
 I: unmounting proc filesystem
 I: unmounting sys filesystem
 I: cleaning the build env 
-I: removing directory /srv/workspace/pbuilder/3878643 and its subdirectories
-I: Current time: Wed Jun 11 07:14:21 -12 2025
-I: pbuilder-time-stamp: 1749669261
+I: removing directory /srv/workspace/pbuilder/3300436 and its subdirectories
+I: Current time: Fri May 10 03:17:44 +14 2024
+I: pbuilder-time-stamp: 1715260664