smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCn1c(=O)c2ccc3c(=O)n(CCC(=O)[O-])c(=O)c4ccc(c1=O)c2c34 ZINC000004165943 557523186 /nfs/dbraw/zinc/52/31/86/557523186.db2.gz ZEZKVZVQCFLZIA-UHFFFAOYSA-N -2 0 410.338 0.015 50 5 HCBARL O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)N1CCOCC1 ZINC000009295536 571245878 /nfs/dbraw/zinc/24/58/78/571245878.db2.gz JAFZQBDWPUORQO-ZZXKWVIFSA-N -2 0 402.363 0.792 50 5 HCBARL