smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000013066955 562961256 /nfs/dbraw/zinc/96/12/56/562961256.db2.gz UWGZFWRMRLJZOF-UHFFFAOYSA-N -3 3 450.469 3.126 10 10 JGCEHL