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-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1O ZINC000031333649 304227443 /nfs/dbraw/zinc/22/74/43/304227443.db2.gz ULEVDAVOVJCFSJ-UHFFFAOYSA-N -2 2 263.183 0.245 40 5 CCBBLL