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(-c2ccccc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1 ZINC000100927416 431983173 /nfs/dbraw/zinc/98/31/73/431983173.db2.gz MZGUOJVYIFDSCY-WJDWOHSUSA-N -2 1 321.336 3.103 40 10 DGCBML