smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(C=Cc2ccccc2Cl)nc([O-])c1[N+](=O)[O-] ZINC000008782285 170355839 /nfs/dbraw/zinc/35/58/39/170355839.db2.gz DWVMIJUZUVMNNB-AATRIKPKSA-N -2 1 293.666 2.208 50 5 CEBAML O=c1[n-]c(C=Cc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000013124695 361419979 /nfs/dbraw/zinc/41/99/79/361419979.db2.gz RFNIDZBAUPURJR-PLNGDYQASA-N -2 1 293.666 2.208 50 5 CEBAML O=c1[n-]c(C=Cc2ccccc2Cl)nc([O-])c1[N+](=O)[O-] ZINC000016449021 361489544 /nfs/dbraw/zinc/48/95/44/361489544.db2.gz DWVMIJUZUVMNNB-WAYWQWQTSA-N -2 1 293.666 2.208 50 5 CEBAML O=c1[n-]c(C=Cc2ccc(Cl)cc2)nc([O-])c1[N+](=O)[O-] ZINC000015684983 361478433 /nfs/dbraw/zinc/47/84/33/361478433.db2.gz CCXNXJQIFBUHEQ-ZZXKWVIFSA-N -2 1 293.666 2.208 50 5 CEBAML O=c1[n-]c(C=Cc2ccc(Cl)cc2)nc([O-])c1[N+](=O)[O-] ZINC000033406473 361777793 /nfs/dbraw/zinc/77/77/93/361777793.db2.gz CCXNXJQIFBUHEQ-UTCJRWHESA-N -2 1 293.666 2.208 50 5 CEBAML