smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000216781797 569879321 /nfs/dbraw/zinc/87/93/21/569879321.db2.gz XLZLZLKJTDOEKC-SFHVURJKSA-N -1 3 451.976 2.012 40 70 JEIBHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000216818460 569879560 /nfs/dbraw/zinc/87/95/60/569879560.db2.gz ZHLQYOQDIPFAEL-OAHLLOKOSA-N -1 3 495.001 2.042 40 70 JEIBHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 ZINC000216781842 569879331 /nfs/dbraw/zinc/87/93/31/569879331.db2.gz XLZLZLKJTDOEKC-GOSISDBHSA-N -1 3 451.976 2.012 40 70 JEIBHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000216818422 569879634 /nfs/dbraw/zinc/87/96/34/569879634.db2.gz ZHLQYOQDIPFAEL-HNNXBMFYSA-N -1 3 495.001 2.042 40 70 JEIBHM