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@H](CO)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000037451662 173218069 /nfs/dbraw/zinc/21/80/69/173218069.db2.gz NHORYDDOTOHNJX-LURJTMIESA-N -2 1 271.185 -1.542 10 5 CABEML O=C([O-])[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000037451663 173218038 /nfs/dbraw/zinc/21/80/38/173218038.db2.gz NHORYDDOTOHNJX-ZCFIWIBFSA-N -2 1 271.185 -1.542 10 5 CABEML