smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)n1-c1ccc(CCC(=O)[O-])c(C(=O)[O-])c1 ZINC000095583754 185012220 /nfs/dbraw/zinc/01/22/20/185012220.db2.gz WFFXJJIFTLEPQI-UHFFFAOYSA-N -2 0 287.315 2.810 1 10 CFCFRL