smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)s1 ZINC000085204647 655636486 /nfs/dbraw/zinc/63/64/86/655636486.db2.gz HHJPLQDLSKJHSU-UHFFFAOYSA-N -2 1 317.819 3.470 10 10 DGCEML