smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-] ZINC000008214926 181535481 /nfs/dbraw/zinc/53/54/81/181535481.db2.gz CADNMISJDLVPCK-CABCVRRESA-N -2 0 300.439 4.719 10 30 in-vitro DJEERL CCCCCCCCCCCC[C@@H](C(=O)[O-])[C@@H](C)C(=O)[O-] ZINC000008681348 181572216 /nfs/dbraw/zinc/57/22/16/181572216.db2.gz CADNMISJDLVPCK-HUUCEWRRSA-N -2 0 300.439 4.719 10 30 DJEERL CCCCCCCCCCCC[C@@H](C(=O)[O-])[C@H](C)C(=O)[O-] ZINC000017653842 182085286 /nfs/dbraw/zinc/08/52/86/182085286.db2.gz CADNMISJDLVPCK-LSDHHAIUSA-N -2 0 300.439 4.719 10 30 DJEERL