smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000318463682 970436757 /nfs/dbraw/zinc/43/67/57/970436757.db2.gz WWKBRXQJNZLARU-UHFFFAOYSA-N -2 2 382.246 3.568 20 10 GHCDLL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000323009026 886454909 /nfs/dbraw/zinc/45/49/09/886454909.db2.gz FTIWOWAZILZUEE-UHFFFAOYSA-N -2 2 396.635 3.851 20 10 GHCDLL