smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([O-])c(C(=O)c2cnc3ccc4ccccc4c3c2)c1 ZINC000002635417 563939891 /nfs/dbraw/zinc/93/98/91/563939891.db2.gz MQQQMMGCXGZHPO-UHFFFAOYSA-N -1 1 313.356 4.633 50 5 DJBAMM