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-])[C@@]1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCOC1 ZINC000539613546 939287314 /nfs/dbraw/zinc/28/73/14/939287314.db2.gz QTGHHKRVYFQTAL-GOSISDBHSA-N -2 0 435.414 1.369 20 5 IDBDRL O=C([O-])[C@]1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCOC1 ZINC000539613559 939287247 /nfs/dbraw/zinc/28/72/47/939287247.db2.gz QTGHHKRVYFQTAL-SFHVURJKSA-N -2 0 435.414 1.369 20 5 IDBDRL