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(Br)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000226353843 570037602 /nfs/dbraw/zinc/03/76/02/570037602.db2.gz WNMOTHRMWYBEIS-UHFFFAOYSA-N -1 2 467.253 4.116 40 5 JIBBLM