Path |
Digest |
Size |
chython/__init__.py |
sha256=gFmsDNoZZBLCRPMzkUF_tP0YQee9j6uVy0FUmod2TOU
|
1289 |
chython/_functions.py |
sha256=q4bak35tDu0Cw4LqDJVncYTOvNFziO8yHveQoR482JA
|
2345 |
chython/algorithms/__init__.py |
sha256=XaeF9z2WOQXQeYnnmsZiSju5If6MGXWrLizoAbFSpIQ
|
806 |
chython/algorithms/_isomorphism.cp39-win_amd64.pyd |
sha256=ON7NaLhm4eQc1Xb3NjBqvMrAms9LXRbriAPg35KY4pI
|
183296 |
chython/algorithms/_isomorphism.pyx |
sha256=UmehlqsQ_n1v-G-9i9L36j0cnZNMLYRYyVCoDYn49I0
|
7481 |
chython/algorithms/aromatics/__init__.py |
sha256=tCjQwwuSQCUNpUKZ24Wmh84cp_14ymvf_0oe9q5E384
|
939 |
chython/algorithms/aromatics/_rules.py |
sha256=WjIqpBGHKcfPDBPsN2w-SGWelraUsEvDYUrTp3GObIE
|
3103 |
chython/algorithms/aromatics/kekule.py |
sha256=BehtNF9ILnRW7EHFyd1zSLA3HpCeW7MohSjJmPv4sh0
|
24010 |
chython/algorithms/aromatics/thiele.py |
sha256=0G81410lIOLubXk_Fxgh9GKg2Mz5iAAx-fQoGLBdlhk
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9071 |
chython/algorithms/calculate2d/__init__.py |
sha256=wOASyV2a3UptKxI_Uaj92LND1pnVcwNZaQbEk-ystt4
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7264 |
chython/algorithms/calculate2d/clean2d.js |
sha256=CCpXfNK3L7f4AVTuKJ3jAGq2Zh3gZiVt7s1g5W0jwOc
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92275 |
chython/algorithms/depict.py |
sha256=BdgNGInWsoRaO_GQS4mgQ6UPGSF-DoIpuhaWwZ7AoaY
|
25312 |
chython/algorithms/fingerprints/__init__.py |
sha256=3MvHoI3sq0H5p8CYsU-75EIQyKk_8ymZzAibLrStE2o
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1753 |
chython/algorithms/fingerprints/linear.py |
sha256=gOjeynsQeWdfIlQNHzv_fE61Gm6RayHY_V0Oe2vLFzA
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9639 |
chython/algorithms/fingerprints/morgan.py |
sha256=TpvDWnfmY_Pc9JVhkWvwZTpac1Ia4MdGx_V33WrJDek
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5877 |
chython/algorithms/isomorphism.py |
sha256=YrSk3YnEXWrOwgGwc3Pj-Jnq3GG05ad8jGbRo6Xrats
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23477 |
chython/algorithms/mapping/__init__.py |
sha256=ivr-jW_C-TH9fpw9ZfsM85wpChsn60Q15L4bELEmhvo
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1000 |
chython/algorithms/mapping/_groups.py |
sha256=O-Jhtdp--rq0CyHEVt1cFntqVEoPVbfUVah66FOu1iM
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2751 |
chython/algorithms/mapping/_reactions.py |
sha256=ES7hcpP2Jz8zSgqPo6-jX7Tq1DGjcXLQlB0MMBqwyj4
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2490 |
chython/algorithms/mapping/attention.py |
sha256=oCJX3wlLcgpVOwdr9Y-Czkyri80sdeCfY6O6WoLl8-E
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8028 |
chython/algorithms/mapping/fixmapper.py |
sha256=kcjHUBnjxnt2xgXzyDUB_h6PK8eGkzfPkzCfoCwBZzU
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3114 |
chython/algorithms/mapping/groups.py |
sha256=qzUSlHl61h6JDx2nA4XcqfE98wrVT_OA0nWthIvoeoY
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5323 |
chython/algorithms/mcs.py |
sha256=sFNbEWDXeaDg5WvsVpQ8vckHl8G_3FaS9hiJ7SOciDk
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7344 |
chython/algorithms/morgan.py |
sha256=AEXTu43GFYFJXJQhh15kCU1WDjvmewWiColceMKsmno
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3014 |
chython/algorithms/rings.py |
sha256=tRa94mDUlKMFO8POWFDO3HSHAOshFsjkfvUVkBv18p8
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20788 |
chython/algorithms/smiles.py |
sha256=LGyu-N9ICrjcTCsX5SLUv31HZy44q3_GJ_y_8FFjJfQ
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25668 |
chython/algorithms/standardize/__init__.py |
sha256=l3Ca7yhgcx0o2rumQk8mop4Cf1-fAKwaKK8FgRS46dI
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1083 |
chython/algorithms/standardize/_charged.py |
sha256=ChIQ34V4iRB0fwkdnzvgB2VVVbnzhq_E_gcESfx-NkY
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4134 |
chython/algorithms/standardize/_groups.py |
sha256=smlJlgFD88yiOp96nHw2qNoRhkMMB6Lpt9RW13kRjno
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27033 |
chython/algorithms/standardize/_metal_organics.py |
sha256=gz1YKn5pYtm8IdXi8Rr0lWRtzgNh4Ew0_CgPiI2VTM4
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6391 |
chython/algorithms/standardize/_reagents.py |
sha256=XqQ2cLxAqXPCgcje9kM7S3cXuSmVGUh8WAxSnJ1EvfM
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1413 |
chython/algorithms/standardize/_salts.py |
sha256=fPxEuvDkQdrMPyn_70MJkrfZgB5G-w8PWFFTnPFlo4A
|
2017 |
chython/algorithms/standardize/molecule.py |
sha256=ysl1cvpd0oRuxLCqOresJfIG4NQoutUKKsl4qQGUyNI
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20131 |
chython/algorithms/standardize/reaction.py |
sha256=uSMU-DH6Z81wSlJirMN3UmRII5U3Mro3wOkMp9FAyZE
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15672 |
chython/algorithms/standardize/resonance.py |
sha256=GvDD3CaVvZjbkSlRBHTiVbxJ40jnVL3jhSaGImWwudA
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chython/algorithms/standardize/salts.py |
sha256=rnzwjahVfn7rbrMlcEaW1e0z-E2ZYbXM6aL_7D5XYBI
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4744 |
chython/algorithms/standardize/saturation.py |
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16256 |
chython/algorithms/standardize/test/__init__.py |
sha256=r16jmj2Uca9YZLo_FNUMAq0tsnmYB5tEV1adpaKEnj8
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chython/algorithms/standardize/test/test_groups.py |
sha256=mxOUn3IhRe3KX54XCvdbwahCkFkzfLO99nioB7EkLQ4
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5661 |
chython/algorithms/stereo/__init__.py |
sha256=LYzwREBOnj70y-SlMuPigKqb0yXtelmVDbw_4ZYL4k0
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892 |
chython/algorithms/stereo/graph.py |
sha256=j66olGtENB2G7OKKBqFGMPvrjP6nK17fDWhprkymyYo
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17469 |
chython/algorithms/stereo/molecule.py |
sha256=FuVDVDjWU8eSkij3kA73kNqnfED563EbpmjjNqypHjM
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32629 |
chython/algorithms/tautomers/__init__.py |
sha256=ogYrdIKYdm8bGZJoueQwLFE2n9FCdRBHCPPFz6xWsw0
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10380 |
chython/algorithms/tautomers/_acid.py |
sha256=8W3HN9AN20yW6tBJEf1QFwCZ0HMVMvRkhVY0hfo97s4
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1583 |
chython/algorithms/tautomers/_base.py |
sha256=ndIUiakuax4KANfLAoLcO0tqKVr0x-goXuh2dPbgE1k
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3036 |
chython/algorithms/tautomers/_keto_enol.py |
sha256=dWX_nh20yVzGvziTjlitivd1roa9gGW90j0yCqoSS1Y
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2645 |
chython/algorithms/tautomers/acid_base.py |
sha256=6fSsqXUOuybyuQQ2w7VIyfj-Xg-HeCob0nuN6qVJdCY
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7899 |
chython/algorithms/tautomers/heteroarenes.py |
sha256=qY8wu_x1PDQcfDvnKQ36K-AaVGvniDSTkcjh1fmxCFo
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3806 |
chython/algorithms/tautomers/keto_enol.py |
sha256=VOmx3xONrZ6zkfTptTP3-NuXoHn0n51Qi1Yk3cJaVDI
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5918 |
chython/algorithms/tautomers/test/__init__.py |
sha256=v-EV5OusGo0xfkToXw_dGP3LAI4vQRAY_06FuHSZvaY
|
801 |
chython/algorithms/tautomers/test/test_tautomers.py |
sha256=Uj6-sGicaLlFiLN9IUR1l0hC-WHO827Enuxxof-BA54
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3691 |
chython/algorithms/x3dom.py |
sha256=LDSwjzCjq1yvZvVW5wKJVf4YxdkJYQcUeAcypfJfSPk
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16905 |
chython/containers/__init__.py |
sha256=ZMuRM9a5wmAjtIPzokVUs9vWwS81wsL5x5hEWHek4W4
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1463 |
chython/containers/_cpack.cp39-win_amd64.pyd |
sha256=8r1KRyv2IzOpuBgFEEIBg84lNe5QkkiwUC-WO_QelCM
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150528 |
chython/containers/_cpack.pyx |
sha256=P3hohl1jTYeT9D6QdepTzS81en0wmhn-jPrh6Pi3xus
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7685 |
chython/containers/_pack.cp39-win_amd64.pyd |
sha256=QBSICMpNGo9kYXwEv_tsPwRtXPck_W1S_s-Np_rVuPU
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52736 |
chython/containers/_pack.pyx |
sha256=veeWf_EU8V8aOKcIQCjEx5YhMmf8zuFcBMUYegSODVE
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10033 |
chython/containers/_unpack.cp39-win_amd64.pyd |
sha256=-MiM9Lv7XTzhNoHNuEAMb3n_rrUT1fHn0MGrGtEo6mQ
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155136 |
chython/containers/_unpack.pyx |
sha256=tbWBdqhs4oNc0YRyXQftyMJzI5RaJoJpGjRVZtUV_yQ
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12796 |
chython/containers/bonds.py |
sha256=U8-aGNAwp-x3scilCJndZqu8iqemZt8xK-YgeZLIwlg
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8331 |
chython/containers/cgr.py |
sha256=TAtVvu4BCXYTbhmAw6EpSBIXAfWgMrnc5maqzbkkdD8
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5626 |
chython/containers/graph.py |
sha256=Wz-cLo9A8DWZba6BbkHMkLw6NWTEs2MTi2RmWYJYetc
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9569 |
chython/containers/molecule.py |
sha256=M6ebHIwyPiJhW91nhUl9jBHnApm1GMSjR5NgHKNGY2I
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45221 |
chython/containers/query.py |
sha256=0_LULRmmqtwTcwFOG4Njcsb1D8pnfieSkJZypgTWF4c
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13873 |
chython/containers/reaction.py |
sha256=CI7JRN61qeTjjSJ8QFiIKi5f4ien0-BmjKNT9k-ddzw
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12173 |
chython/exceptions.py |
sha256=a3uyRub3SNKCl7zSRp1hlv2spga8AkK8wla0wihAWQo
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2592 |
chython/files/__init__.py |
sha256=LwgG-uW-YyOoaMYhCy-hFiceR5YqRMZf-B7S6jFO5yw
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1120 |
chython/files/_convert.py |
sha256=J-ThmlefbilJxiQVCShdNltBsJUphJMbRhtuoWjLmEM
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4280 |
chython/files/_mapping.py |
sha256=SuXovTVeX_doP-k3qSqgQgkdoU_4tOGr8UD3BNAgp28
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4340 |
chython/files/_mdl/__init__.py |
sha256=3Jl60Im8HMeBEGG4Km1mEaK2tDIHqnJfeW8w4ELS87c
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1070 |
chython/files/_mdl/emol.py |
sha256=B5fubS9AsbjvXfVrXzRyN2VCIQcGvwZyEUZUVKkFv10
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6951 |
chython/files/_mdl/erxn.py |
sha256=zq6q_Ddhgk-ZaV537N2-NUqG8rnfLiUGA0AzmDO1LBI
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chython/files/_mdl/mol.py |
sha256=RUZ-a_zoW7jCiduo6XBuUjJEl-yKUya1ZNjy79mG-SQ
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chython/files/_mdl/read.py |
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chython/files/_mdl/rxn.py |
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chython/files/_mdl/stereo.py |
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3804 |
chython/files/_mdl/write.py |
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chython/files/_xyz.cp39-win_amd64.pyd |
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146944 |
chython/files/_xyz.pyx |
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chython/files/daylight/__init__.py |
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chython/files/daylight/parser.py |
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chython/files/daylight/smarts.py |
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chython/files/daylight/smiles.py |
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chython/files/daylight/tokenize.py |
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chython/files/libinchi/__init__.py |
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chython/files/libinchi/libinchi.dll |
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chython/files/libinchi/wrapper.py |
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23589 |
chython/files/MRVrw.py |
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chython/files/PDBrw.py |
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chython/files/RDFrw.py |
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chython/files/SDFrw.py |
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chython/files/xyz.py |
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chython/periodictable/__init__.py |
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chython/periodictable/element/__init__.py |
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chython/periodictable/element/core.py |
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chython/periodictable/element/dynamic.py |
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chython/periodictable/element/element.py |
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chython/periodictable/element/query.py |
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chython/periodictable/groupI.py |
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chython/periodictable/groupII.py |
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chython/periodictable/groupIII.py |
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chython/periodictable/groupIV.py |
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chython/periodictable/groupIX.py |
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chython/periodictable/groups.py |
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chython/periodictable/groupV.py |
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chython/periodictable/groupVI.py |
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chython/periodictable/groupVII.py |
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chython/periodictable/groupVIII.py |
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chython/periodictable/groupX.py |
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chython/periodictable/groupXI.py |
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chython/periodictable/groupXII.py |
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chython/periodictable/groupXIV.py |
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chython/periodictable/groupXVI.py |
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chython/periodictable/groupXVII.py |
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chython/periodictable/periods.py |
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chython/reactor/__init__.py |
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chython/reactor/base.py |
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chython/reactor/deprotection.py |
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chython/reactor/groups.py |
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chython/reactor/reactions/__init__.py |
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chython/reactor/reactions/_amidation.py |
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chython/reactor/reactions/_amine_isocyanate.py |
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chython/reactor/reactions/_buchwald_hartwig.py |
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chython/reactor/reactions/_esterification.py |
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chython/reactor/reactions/_macmillan.py |
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chython/reactor/reactions/_reductive_amination.py |
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chython/reactor/reactions/_sonogashira.py |
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chython/reactor/reactions/_sulfonamidation.py |
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chython/reactor/reactions/_suzuki_miyaura.py |
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chython/reactor/reactions/ufe.py |
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chython/reactor/reactor.py |
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chython/reactor/retro/__init__.py |
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chython/reactor/retro/_amidation.py |
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