smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC(=O)N1C[C@@H](S(=O)(=O)NC)[C@]([NH3+])(c2ccc(F)cc2F)C1 ZINC000219833733 530301922 /nfs/dbraw/zinc/30/19/22/530301922.db2.gz JVCUHHWJKDSUGR-UKRRQHHQSA-N 1 2 375.397 0.675 10 30 GCEELO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000424627855 531052559 /nfs/dbraw/zinc/05/25/59/531052559.db2.gz WMWWKAFJZDKOON-ZFWWWQNUSA-N 1 2 389.499 0.146 10 30 GCEELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328885080 570983658 /nfs/dbraw/zinc/98/36/58/570983658.db2.gz OGIVZZOABVZEPJ-HOTGVXAUSA-N 1 2 388.534 0.508 10 30 GCEELO CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328885080 570983661 /nfs/dbraw/zinc/98/36/61/570983661.db2.gz OGIVZZOABVZEPJ-HOTGVXAUSA-N 1 2 388.534 0.508 10 30 GCEELO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC000129279342 1186039548 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