smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c(CC(=O)[O-])nn(-c2nc3ccccc3s2)c1[O-] ZINC000100140230 193795758 /nfs/dbraw/zinc/79/57/58/193795758.db2.gz YJHHUMAQRIUURV-GHXNOFRVSA-N -2 1 317.326 2.306 50 10 DECAML O=C([O-])c1cccnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000008716966 401755897 /nfs/dbraw/zinc/75/58/97/401755897.db2.gz CUODTAWCYUYGQR-UHFFFAOYSA-N -2 1 305.311 2.166 50 10 DECAML