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-])Cn1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001606359841 973814725 /nfs/dbraw/zinc/81/47/25/973814725.db2.gz CQFSNRKRJNAQQO-RFZPGFLSSA-N -1 2 255.190 -1.034 20 5 CABDLM