smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@]2(CN1C1COC1)COCC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001276064020 861309386 /nfs/dbraw/zinc/30/93/86/861309386.db2.gz OTBVPXMOLDFYBG-GOSISDBHSA-N 0 3 350.390 0.981 20 10 FCCDHN O=C1C[C@@]2(CN1C1COC1)COCC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001276064020 861309403 /nfs/dbraw/zinc/30/94/03/861309403.db2.gz OTBVPXMOLDFYBG-GOSISDBHSA-N 0 3 350.390 0.981 20 10 FCCDHN CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273802 853589725 /nfs/dbraw/zinc/58/97/25/853589725.db2.gz VLGAWOGGLXADOG-HNNXBMFYSA-N 0 3 350.415 0.984 20 10 FCCDHN CN(C)c1ccc(CN2CC[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]32)c(O)c1 ZINC001278923532 862571868 /nfs/dbraw/zinc/57/18/68/862571868.db2.gz GIZSWPMZDICOLK-XJKSGUPXSA-N 0 3 368.503 0.771 20 10 FCCDHN CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CCN3S(=O)(=O)N(C)C)c(O)c1 ZINC001278924272 862573373 /nfs/dbraw/zinc/57/33/73/862573373.db2.gz 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