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(-c2ccc(Cl)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000226353835 559273565 /nfs/dbraw/zinc/27/35/65/559273565.db2.gz DHWYXAIIPGXFFJ-UHFFFAOYSA-N -1 2 422.802 4.007 40 5 HIBBLM