smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCC ZINC000409349101 557077172 /nfs/dbraw/zinc/07/71/72/557077172.db2.gz UNAXOYCXTGQALV-WAYWQWQTSA-N -2 1 426.223 3.526 40 5 IHBBML CCCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC ZINC000409348266 557076165 /nfs/dbraw/zinc/07/61/65/557076165.db2.gz RUQPXCNAAYQOQP-AATRIKPKSA-N -2 1 440.250 3.916 40 5 IHBBML O=c1[n-]c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-] ZINC000409340593 556636943 /nfs/dbraw/zinc/63/69/43/556636943.db2.gz ZVTBPRDQTMUQCP-BAQGIRSFSA-N -2 1 441.312 3.575 40 5 IHBBML CCc1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1 ZINC000408602766 557421075 /nfs/dbraw/zinc/42/10/75/557421075.db2.gz DPZZXPQTEZAZJX-KPKJPENVSA-N -2 1 436.424 3.546 40 5 IHBBML COc1c(Br)cc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC000409351086 557078778 /nfs/dbraw/zinc/07/87/78/557078778.db2.gz ZGPPOSJWVXTCCH-IHWYPQMZSA-N -2 1 447.039 3.500 40 5 IHBBML Cc1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1C ZINC000409343807 557071144 /nfs/dbraw/zinc/07/11/44/557071144.db2.gz IJHMEYOCLSQCLF-UXBLZVDNSA-N -2 1 436.424 3.601 40 5 IHBBML COc1cc([N+](=O)[O-])cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c1[O-] ZINC000408632011 557422785 /nfs/dbraw/zinc/42/27/85/557422785.db2.gz CNFQPQNZLHIHMZ-VGOFMYFVSA-N -2 1 448.844 3.965 40 5 IHBBML O=c1[n-]c(C=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)nc([O-])c1[N+](=O)[O-] ZINC000409330062 556637334 /nfs/dbraw/zinc/63/73/34/556637334.db2.gz JHRBLFMUFLCOTB-JXMROGBWSA-N -2 1 433.380 3.878 40 5 IHBBML O=c1[n-]c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc([O-])c1[N+](=O)[O-] ZINC000409347725 557075855 /nfs/dbraw/zinc/07/58/55/557075855.db2.gz QZJVWMVMOOGYIU-UTCJRWHESA-N -2 1 449.173 3.897 40 5 IHBBML