smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cccc(C(=O)[O-])c1 ZINC000016284825 563807747 /nfs/dbraw/zinc/80/77/47/563807747.db2.gz QZNAQIQUEOPKQM-BOPFTXTBSA-N -2 1 349.390 3.720 40 10 EHCBML Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N\c1ccccc1 ZINC000017302786 563842615 /nfs/dbraw/zinc/84/26/15/563842615.db2.gz AQNYJBKPOPUIHV-HNENSFHCSA-N -2 1 343.364 3.790 40 10 EHCBML