Added 1 molecules from epoch 18754 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -62,3 +62,4 @@ rxn:1:55786:33650,CN(Cc1cn(CC2CC2c2cc(F)ccc2CN)nn1)S(=O)(=O)c1ccccc1Cl,ZINXPZWLS
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| 62 |
rxn:5:181746:227802:226040,Cc1c(-c2ccccc2-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HNUMBIDIWUYARL-UHFFFAOYSA-N
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| 63 |
rxn:1:58091:39159,CCc1c(C)n(Cc2cn(CCCc3ccc(S(C)(=O)=O)cc3)nn2)c2nc3ccccc3n2c1=O,KXFLOXGSQUJTAN-UHFFFAOYSA-N
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| 64 |
rxn:1:61632:33257,O=C(Nc1cccc(-c2cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H](CO)[C@H](O)[C@@H]3O)nn2)c1)C(F)(F)c1ccccc1,HYVKUNMBUSFCGT-RSFKBIFASA-N
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| 62 |
rxn:5:181746:227802:226040,Cc1c(-c2ccccc2-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-],HNUMBIDIWUYARL-UHFFFAOYSA-N
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| 63 |
rxn:1:58091:39159,CCc1c(C)n(Cc2cn(CCCc3ccc(S(C)(=O)=O)cc3)nn2)c2nc3ccccc3n2c1=O,KXFLOXGSQUJTAN-UHFFFAOYSA-N
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| 64 |
rxn:1:61632:33257,O=C(Nc1cccc(-c2cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H](CO)[C@H](O)[C@@H]3O)nn2)c1)C(F)(F)c1ccccc1,HYVKUNMBUSFCGT-RSFKBIFASA-N
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| 65 |
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rxn:3:43541:20214:113539,Cc1cc(C)cc([C@H](NC(=O)c2ccc(C#CCn3cc(-c4cc(C(C)C)nn4C(C)C4CCCC4)nn3)c(C(F)(F)F)c2)C2CC2)c1,FNECBXDFLHBVDE-SLOOROQESA-N
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