smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2[nH+]c3c(C)cccn3c2/C=C/C(=O)[O-])cc1 ZINC000031973183 171673176 /nfs/dbraw/zinc/67/31/76/171673176.db2.gz JQBDPWZIMBRSIG-MDZDMXLPSA-N 0 2 292.338 3.716 30 0 CHACLN Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccc(F)cc3)[nH+]c12 ZINC000002599601 567043430 /nfs/dbraw/zinc/04/34/30/567043430.db2.gz DVLPYAKMYWRVLD-CMDGGOBGSA-N 0 2 296.301 3.547 30 0 CHACLN