smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000833746967 605151904 /nfs/dbraw/zinc/15/19/04/605151904.db2.gz MUCJGCPOQCSZLQ-UHFFFAOYSA-N -2 2 356.316 0.691 20 5 FCBDLL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000790005560 668869243 /nfs/dbraw/zinc/86/92/43/668869243.db2.gz OZDLILHJLDTMCH-UHFFFAOYSA-N -2 2 356.316 0.841 20 5 FCBDLL