smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101139070 1069699615 /nfs/dbraw/zinc/69/96/15/1069699615.db2.gz USCLVBITRGLKPM-UHFFFAOYSA-N -1 1 511.538 5.183 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423083 1069717490 /nfs/dbraw/zinc/71/74/90/1069717490.db2.gz RUNNNURVNLQHNQ-UHFFFAOYSA-N -1 1 575.625 7.051 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409092467 1069776562 /nfs/dbraw/zinc/77/65/62/1069776562.db2.gz YUQLHYUBMZNTKB-JDKSNUEYSA-N -1 1 716.197 5.461 40 5 KKBBMM O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408991149 1070357608 /nfs/dbraw/zinc/35/76/08/1070357608.db2.gz MZTKFZPCWUUGQG-UHFFFAOYSA-N -1 1 506.609 5.972 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408993236 1070368348 /nfs/dbraw/zinc/36/83/48/1070368348.db2.gz VGRQPOYONGSXFO-UHFFFAOYSA-N -1 1 511.566 6.258 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409099512 1070532664 /nfs/dbraw/zinc/53/26/64/1070532664.db2.gz NVTNTMWOFWIYHH-MHRPSJHKSA-N -1 1 716.197 5.461 40 5 KKBBMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408907512 1070989687 /nfs/dbraw/zinc/98/96/87/1070989687.db2.gz PTZIMVDMEYUUBP-KGVSQERTSA-N -1 1 525.892 5.720 40 5 KKBBMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 ZINC000408925107 1071079721 /nfs/dbraw/zinc/07/97/21/1071079721.db2.gz JNWIFBXEUYOVHZ-ZXVVBBHZSA-N -1 1 513.575 5.883 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408927663 1071192340 /nfs/dbraw/zinc/19/23/40/1071192340.db2.gz YUJIOOBZEOLQPU-LFVJCYFKSA-N -1 1 601.990 7.247 40 5 KKBBMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991734 1071579209 /nfs/dbraw/zinc/57/92/09/1071579209.db2.gz PCHFEJUEHNCIIJ-OALUTQOASA-N -1 1 657.799 7.682 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccc(C)cc6)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408990746 1071586421 /nfs/dbraw/zinc/58/64/21/1071586421.db2.gz LQRXSSOULULFPG-UHFFFAOYSA-N -1 1 599.719 7.911 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737806 1071613130 /nfs/dbraw/zinc/61/31/30/1071613130.db2.gz XSJUQGXPLKDHTM-WUFINQPMSA-N -1 1 603.635 6.094 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409095833 1072238564 /nfs/dbraw/zinc/23/85/64/1072238564.db2.gz DLSUONLIBDMFLP-MHRPSJHKSA-N -1 1 760.648 5.570 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409101096 1072315899 /nfs/dbraw/zinc/31/58/99/1072315899.db2.gz VFEQRMPNMUQWPH-RBXKPUFLSA-N -1 1 671.160 5.391 40 5 KKBBMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374108 1072640474 /nfs/dbraw/zinc/64/04/74/1072640474.db2.gz XOLCFFFJPJUUKX-UHFFFAOYSA-N -1 1 696.558 7.933 40 5 KKBBMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1Cl ZINC000409184322 1072777020 /nfs/dbraw/zinc/77/70/20/1072777020.db2.gz XJPUGJQZBNHTRS-YZSQISJMSA-N -1 1 548.020 6.537 40 5 KKBBMM O=c1[n-]c(-c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 ZINC000409262696 1073221530 /nfs/dbraw/zinc/22/15/30/1073221530.db2.gz IQDLRUXPRQCLJK-UHFFFAOYSA-N -1 1 506.234 6.484 40 5 KKBBMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(/C=C/c1ccccc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000100150494 554231274 /nfs/dbraw/zinc/23/12/74/554231274.db2.gz QKWDBGNTYXBGKI-CAOOACKPSA-N -1 1 552.547 5.748 40 5 KKBBMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)C(C)=NN(c2ccccc2)C1=O ZINC000059662992 554420949 /nfs/dbraw/zinc/42/09/49/554420949.db2.gz YRGNNBWEALFYLI-CMKKOEAFSA-N -1 1 625.645 5.410 40 5 KKBBMM O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059882298 554458209 /nfs/dbraw/zinc/45/82/09/554458209.db2.gz HKUUOAWPKKVYPW-UHFFFAOYSA-N -1 1 616.677 5.383 40 5 KKBBMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4cccc5c(Br)c([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000101148721 554656783 /nfs/dbraw/zinc/65/67/83/554656783.db2.gz NKQFHMPZYIPOET-UHFFFAOYSA-N -1 1 566.389 5.420 40 5 KKBBMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105310628 571396107 /nfs/dbraw/zinc/39/61/07/571396107.db2.gz KBKVSWCKVMIUJG-UHFFFAOYSA-N -1 1 531.594 5.398 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198316658 571567601 /nfs/dbraw/zinc/56/76/01/571567601.db2.gz LHNDDELVGBWRIU-UHFFFAOYSA-N -1 1 713.112 6.219 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211064861 571576161 /nfs/dbraw/zinc/57/61/61/571576161.db2.gz ZIBTXUXSWMRDGE-NLRVBDNBSA-N -1 1 578.444 6.337 40 5 KKBBMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000216342381 571595086 /nfs/dbraw/zinc/59/50/86/571595086.db2.gz JDPQVQFBWFMLMM-UHFFFAOYSA-N -1 1 549.936 5.010 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)C(=O)[O-])n2)c1 ZINC000408631284 572287264 /nfs/dbraw/zinc/28/72/64/572287264.db2.gz DAGMXQHASORJCW-ZBKNUEDVSA-N -1 1 563.375 6.182 40 5 KKBBMM O=C([O-])C(=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631673 572287885 /nfs/dbraw/zinc/28/78/85/572287885.db2.gz AHOXQWHPVSKYBM-MTJSOVHGSA-N -1 1 587.839 6.593 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408632190 572288426 /nfs/dbraw/zinc/28/84/26/572288426.db2.gz HVZQCHNCLJCZRY-YSMPRRRNSA-N -1 1 571.615 5.926 40 5 KKBBMM O=C([O-])C(=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632993 572289552 /nfs/dbraw/zinc/28/95/52/572289552.db2.gz IPGHTEJWOLXMFN-QRVIBDJDSA-N -1 1 531.981 6.254 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C(=O)[O-])n2)c1 ZINC000408633201 572289859 /nfs/dbraw/zinc/28/98/59/572289859.db2.gz MGVNTHBFKJUZOH-WSDLNYQXSA-N -1 1 571.036 6.420 40 5 KKBBMM COc1ccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c([N+](=O)[O-])c1 ZINC000108423085 1069717820 /nfs/dbraw/zinc/71/78/20/1069717820.db2.gz OCYQMUNMDGRUQX-UHFFFAOYSA-N -1 1 577.597 6.443 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373452 1070896969 /nfs/dbraw/zinc/89/69/69/1070896969.db2.gz TVYXJHRFUCFFNU-UHFFFAOYSA-N -1 1 547.571 6.843 40 5 KKBBMM O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408991323 1071581034 /nfs/dbraw/zinc/58/10/34/1071581034.db2.gz NKQBNAVMWPNXIH-UHFFFAOYSA-N -1 1 556.669 7.125 40 5 KKBBMM Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408990680 1071588200 /nfs/dbraw/zinc/58/82/00/1071588200.db2.gz LJGREIDPWGAJBO-UHFFFAOYSA-N -1 1 516.604 6.473 40 5 KKBBMM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988594 1071603696 /nfs/dbraw/zinc/60/36/96/1071603696.db2.gz DYFMMBXAELSNAD-UHFFFAOYSA-N -1 1 639.784 8.563 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737802 1071613112 /nfs/dbraw/zinc/61/31/12/1071613112.db2.gz XSJUQGXPLKDHTM-VSGBNLITSA-N -1 1 603.635 6.094 40 5 KKBBMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096285 1072234276 /nfs/dbraw/zinc/23/42/76/1072234276.db2.gz DCVXIRREWCTYNF-BMZLMQSUSA-N -1 1 696.811 5.129 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409104760 1072352876 /nfs/dbraw/zinc/35/28/76/1072352876.db2.gz HYPDXORKLMWWFZ-NLMYKXADSA-N -1 1 697.795 5.604 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174283 1072722570 /nfs/dbraw/zinc/72/25/70/1072722570.db2.gz QRBYHHZVOUWTRB-UHFFFAOYSA-N -1 1 693.587 6.162 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181191 1072799767 /nfs/dbraw/zinc/79/97/67/1072799767.db2.gz YTAHKOPCYPLHEC-UHFFFAOYSA-N -1 1 724.011 5.963 40 5 KKBBMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409256823 1073159832 /nfs/dbraw/zinc/15/98/32/1073159832.db2.gz NQKPJLGVMWTELR-UHFFFAOYSA-N -1 1 508.512 5.950 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008384509 552989639 /nfs/dbraw/zinc/98/96/39/552989639.db2.gz XBOGRTOMCIHQIO-UHFFFAOYSA-N -1 1 678.667 5.565 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000016292768 553559230 /nfs/dbraw/zinc/55/92/30/553559230.db2.gz IHHQXWNDVVPVIP-ZVBBVAIHSA-N -1 1 509.566 5.373 40 5 KKBBMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)C(C)=NN(c2ccccc2)C1=O ZINC000059662984 554420967 /nfs/dbraw/zinc/42/09/67/554420967.db2.gz YRGNNBWEALFYLI-KQDQWFAOSA-N -1 1 625.645 5.410 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000059888147 554470388 /nfs/dbraw/zinc/47/03/88/554470388.db2.gz QGCGTXWBRXMPLU-UHFFFAOYSA-N -1 1 615.089 5.191 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105305905 571393899 /nfs/dbraw/zinc/39/38/99/571393899.db2.gz AMZVEZSGOLDKEV-UHFFFAOYSA-N -1 1 533.635 5.694 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198314353 571567463 /nfs/dbraw/zinc/56/74/63/571567463.db2.gz NIDYPNUPZRYGHA-UHFFFAOYSA-N -1 1 676.729 5.400 40 5 KKBBMM Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000408532993 572181607 /nfs/dbraw/zinc/18/16/07/572181607.db2.gz PAWKUTOKIPHQCN-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408574035 572259294 /nfs/dbraw/zinc/25/92/94/572259294.db2.gz HOHTZBOWHIXWKD-UHFFFAOYSA-N -1 1 534.299 5.974 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000408631826 572288082 /nfs/dbraw/zinc/28/80/82/572288082.db2.gz LYLDKLAEQOXGJS-SRZZPIQSSA-N -1 1 575.455 7.064 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)[O-])n1 ZINC000408632451 572288867 /nfs/dbraw/zinc/28/88/67/572288867.db2.gz QDULBODKNLJAEX-UDWIEESQSA-N -1 1 515.979 5.250 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[O-])n1 ZINC000408632589 572289041 /nfs/dbraw/zinc/28/90/41/572289041.db2.gz JSSBGVXDQLYOJO-GRSHGNNSSA-N -1 1 533.349 6.173 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])n1 ZINC000408632776 572289238 /nfs/dbraw/zinc/28/92/38/572289238.db2.gz SJMIJZRKWHWODP-JAIQZWGSSA-N -1 1 512.931 5.828 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n1 ZINC000408633540 572290276 /nfs/dbraw/zinc/29/02/76/572290276.db2.gz ZTQXCVNXGCNVKR-JAIQZWGSSA-N -1 1 512.931 5.828 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[O-])n2)c1 ZINC000408633635 572290488 /nfs/dbraw/zinc/29/04/88/572290488.db2.gz OHOSQMBKTVJNKG-KSEXSDGBSA-N -1 1 534.550 5.194 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[O-])n2)c1 ZINC000408634732 572291807 /nfs/dbraw/zinc/29/18/07/572291807.db2.gz WZVAZWDHNIIFME-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)[O-])n2)c1 ZINC000408634944 572292051 /nfs/dbraw/zinc/29/20/51/572292051.db2.gz YERRBDQIXAXCTN-MTJSOVHGSA-N -1 1 508.512 5.183 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635196 572292280 /nfs/dbraw/zinc/29/22/80/572292280.db2.gz XXZCKYPATSPLAU-ZDLGFXPLSA-N -1 1 503.323 6.165 40 5 KKBBMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635692 572292701 /nfs/dbraw/zinc/29/27/01/572292701.db2.gz HIJNZLCQFOIMGH-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370766 1070893826 /nfs/dbraw/zinc/89/38/26/1070893826.db2.gz DFXKRYJTORNTOZ-UHFFFAOYSA-N -1 1 561.598 7.152 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408921814 1071093090 /nfs/dbraw/zinc/09/30/90/1071093090.db2.gz XWIWNDSZNCZLPJ-UHFFFAOYSA-N -1 1 615.089 5.191 40 5 KKBBMM O=c1[n-]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408993834 1071562664 /nfs/dbraw/zinc/56/26/64/1071562664.db2.gz XCRJXSBLTIGCKX-UHFFFAOYSA-N -1 1 551.631 6.910 40 5 KKBBMM O=c1[n-]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3 ZINC000408990707 1071588187 /nfs/dbraw/zinc/58/81/87/1071588187.db2.gz LLSGDUMCFWXYLK-UHFFFAOYSA-N -1 1 537.604 6.520 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094583 1072245468 /nfs/dbraw/zinc/24/54/68/1072245468.db2.gz FCBGYYAVCZVBNR-PSAPEEBNSA-N -1 1 678.796 5.861 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409101097 1072315969 /nfs/dbraw/zinc/31/59/69/1072315969.db2.gz VFEQRMPNMUQWPH-STEKTNRRSA-N -1 1 671.160 5.391 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 ZINC000409369637 1072657941 /nfs/dbraw/zinc/65/79/41/1072657941.db2.gz SYNCPQUDYIQUID-UHFFFAOYSA-N -1 1 839.428 8.371 40 5 KKBBMM O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020060834 553672965 /nfs/dbraw/zinc/67/29/65/553672965.db2.gz PBSMCIMIGGURMR-UHFFFAOYSA-N -1 1 507.593 5.421 40 5 KKBBMM O=C(Nc1ccc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103532911 555433352 /nfs/dbraw/zinc/43/33/52/555433352.db2.gz HYCUFFFKDTVHMF-UHFFFAOYSA-N -1 1 538.476 5.257 40 5 KKBBMM COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000103765801 555473135 /nfs/dbraw/zinc/47/31/35/555473135.db2.gz NCSJDDUGLYTDJD-UHFFFAOYSA-N -1 1 522.029 5.960 40 5 KKBBMM O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000198312636 571567238 /nfs/dbraw/zinc/56/72/38/571567238.db2.gz VQAZHWXLBKSLFU-UHFFFAOYSA-N -1 1 634.614 5.248 40 5 KKBBMM CCN(CC)c1ccc([N+](=O)[O-])cc1C=C(Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC000408630826 572286698 /nfs/dbraw/zinc/28/66/98/572286698.db2.gz CZBVITMHDOXFNN-YBFXNURJSA-N -1 1 503.968 5.106 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])n1 ZINC000408630953 572286792 /nfs/dbraw/zinc/28/67/92/572286792.db2.gz DZDSXDNMXUUXIE-JAIQZWGSSA-N -1 1 512.931 5.828 40 5 KKBBMM Cc1ccc(Sc2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408631747 572287915 /nfs/dbraw/zinc/28/79/15/572287915.db2.gz BMYGPQJNCLTUST-FYJGNVAPSA-N -1 1 525.011 6.711 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633010 572289580 /nfs/dbraw/zinc/28/95/80/572289580.db2.gz IWQDMJDPGOZLPD-ZDLGFXPLSA-N -1 1 503.323 6.165 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408633145 572289848 /nfs/dbraw/zinc/28/98/48/572289848.db2.gz WKFUMOPHIXIPSB-MSXFZWOLSA-N -1 1 562.007 6.263 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc([N+](=O)[O-])cc2)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408680844 572321331 /nfs/dbraw/zinc/32/13/31/572321331.db2.gz HCBFZQBHNOCLNY-QFIPXVFZSA-N -1 1 506.363 5.508 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423475 1069721911 /nfs/dbraw/zinc/72/19/11/1069721911.db2.gz QTNHCRPQGDQSAP-UHFFFAOYSA-N -1 1 561.598 6.743 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104925 1070530353 /nfs/dbraw/zinc/53/03/53/1070530353.db2.gz LHFXQXUYHBIAOK-CJIXEESDSA-N -1 1 726.631 5.213 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408906223 1070896229 /nfs/dbraw/zinc/89/62/29/1070896229.db2.gz BBLFNWXLWWFPLV-UHFFFAOYSA-N -1 1 510.753 5.064 40 5 KKBBMM O=c1[n-]c(-c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408991469 1071579592 /nfs/dbraw/zinc/57/95/92/1071579592.db2.gz OHTCETHIDDYOCH-UHFFFAOYSA-N -1 1 517.596 5.368 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408988314 1071606238 /nfs/dbraw/zinc/60/62/38/1071606238.db2.gz DFFACHMOKOVJFY-UHFFFAOYSA-N -1 1 611.730 7.864 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737796 1071613210 /nfs/dbraw/zinc/61/32/10/1071613210.db2.gz XSJUQGXPLKDHTM-IZLXSDGUSA-N -1 1 603.635 6.094 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409084198 1072191876 /nfs/dbraw/zinc/19/18/76/1072191876.db2.gz BWFGASYLIWPPIL-AFOHCANTSA-N -1 1 693.807 5.922 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409094903 1072243304 /nfs/dbraw/zinc/24/33/04/1072243304.db2.gz GFYOXVRBDDMIIN-XNOUSZLFSA-N -1 1 709.806 5.586 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409098659 1072329924 /nfs/dbraw/zinc/32/99/24/1072329924.db2.gz RANIPJZLRPSTJD-VXBWEVHPSA-N -1 1 697.820 5.521 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104926 1072352119 /nfs/dbraw/zinc/35/21/19/1072352119.db2.gz LHFXQXUYHBIAOK-ZDZYTSRMSA-N -1 1 726.631 5.213 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409108302 1072408051 /nfs/dbraw/zinc/40/80/51/1072408051.db2.gz ZTJCMUNRBYKUQV-LMVGNEGFSA-N -1 1 726.631 5.213 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409122156 1072423098 /nfs/dbraw/zinc/42/30/98/1072423098.db2.gz ZXWIWACRGJMROA-JDKSNUEYSA-N -1 1 760.648 5.570 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370771 1072651874 /nfs/dbraw/zinc/65/18/74/1072651874.db2.gz DSPOAJQQXCYKRF-UHFFFAOYSA-N -1 1 547.571 6.843 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409166363 1072703777 /nfs/dbraw/zinc/70/37/77/1072703777.db2.gz FFAYZKZHQAQBLG-UHFFFAOYSA-N -1 1 693.587 6.162 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180113 1072805934 /nfs/dbraw/zinc/80/59/34/1072805934.db2.gz VUIPCIWUKITHBQ-UHFFFAOYSA-N -1 1 659.142 5.508 40 5 KKBBMM O=C(Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C=C([O-])C(=O)Nc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl ZINC000082190854 553675867 /nfs/dbraw/zinc/67/58/67/553675867.db2.gz LZHJHVHRKPULIY-UHFFFAOYSA-N -1 1 628.208 5.617 40 5 KKBBMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3[O-])nc2c1 ZINC000038173535 554273960 /nfs/dbraw/zinc/27/39/60/554273960.db2.gz NQBNPXWGVUTSDV-UHFFFAOYSA-N -1 1 514.519 5.804 40 5 KKBBMM O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059885919 554465662 /nfs/dbraw/zinc/46/56/62/554465662.db2.gz HCTVBQGAMBQORT-UHFFFAOYSA-N -1 1 536.429 5.030 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100922645 554522574 /nfs/dbraw/zinc/52/25/74/554522574.db2.gz IZAQEVNAVAZTDD-CLJLJLNGSA-N -1 1 509.566 5.373 40 5 KKBBMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O)c1ccc(N(C)C)cc1 ZINC000103762236 555471607 /nfs/dbraw/zinc/47/16/07/555471607.db2.gz GDQVJADSMZICLT-UHFFFAOYSA-N -1 1 569.578 5.149 40 5 KKBBMM C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)[O-])c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000150338699 562843115 /nfs/dbraw/zinc/84/31/15/562843115.db2.gz YTZALCGQUPRCGW-ZSFNYQMMSA-N -1 1 718.807 6.527 40 5 fda KKBBMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3[O-])nc2c1 ZINC000112242574 571435254 /nfs/dbraw/zinc/43/52/54/571435254.db2.gz GDEFQMSTARSJEJ-UHFFFAOYSA-N -1 1 561.620 5.195 40 5 KKBBMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408532234 572179058 /nfs/dbraw/zinc/17/90/58/572179058.db2.gz NOAQAPSQAAIXAU-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-] ZINC000408573965 572259183 /nfs/dbraw/zinc/25/91/83/572259183.db2.gz GFUCYYKTDFXHSJ-UHFFFAOYSA-N -1 1 513.881 5.629 40 5 KKBBMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408596667 572271064 /nfs/dbraw/zinc/27/10/64/572271064.db2.gz XKLXLPSJFICHJP-UHFFFAOYSA-N -1 1 543.907 5.394 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631357 572287450 /nfs/dbraw/zinc/28/74/50/572287450.db2.gz DLDZUBLBDMWADG-MXAYSNPKSA-N -1 1 557.588 5.618 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408633073 572289722 /nfs/dbraw/zinc/28/97/22/572289722.db2.gz VRUPZADLRSTCJS-SRZZPIQSSA-N -1 1 575.455 7.064 40 5 KKBBMM COc1ccc(-c2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000408633532 572290267 /nfs/dbraw/zinc/29/02/67/572290267.db2.gz ZNLHSJSNTDPKTK-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000408634401 572291367 /nfs/dbraw/zinc/29/13/67/572291367.db2.gz QSYWFONKCSNBKW-FYJGNVAPSA-N -1 1 525.011 6.711 40 5 KKBBMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4ccc(C)cc4)ccc32)cc1 ZINC000102415364 1069702432 /nfs/dbraw/zinc/70/24/32/1069702432.db2.gz CPYWWTFQMAGYNW-UHFFFAOYSA-N -1 1 534.615 5.165 40 5 KKBBMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4ccc(S(=O)(=O)Nc5ccc(C)cc5)cc4oc(=O)c3c2)cc1 ZINC000102415364 1069702437 /nfs/dbraw/zinc/70/24/37/1069702437.db2.gz CPYWWTFQMAGYNW-UHFFFAOYSA-N -1 1 534.615 5.165 40 5 KKBBMM CCN(CC)c1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423182 1069718610 /nfs/dbraw/zinc/71/86/10/1069718610.db2.gz WZDYNCAXGTYAMA-UHFFFAOYSA-N -1 1 552.635 6.021 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000108423176 1069718701 /nfs/dbraw/zinc/71/87/01/1069718701.db2.gz KJMYYWYOGHMDLU-UHFFFAOYSA-N -1 1 524.581 5.240 40 5 KKBBMM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408989855 1070354445 /nfs/dbraw/zinc/35/44/45/1070354445.db2.gz JCJPPLYPJNOJHL-UHFFFAOYSA-N -1 1 651.751 7.803 40 5 KKBBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408983175 1071519612 /nfs/dbraw/zinc/51/96/12/1071519612.db2.gz FVVFHCFRZNNNNF-UHFFFAOYSA-N -1 1 645.672 6.792 40 5 KKBBMM O=c1[n-]c(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408991154 1071584634 /nfs/dbraw/zinc/58/46/34/1071584634.db2.gz NABCXRQQBJHLMF-UHFFFAOYSA-N -1 1 506.634 7.002 40 5 KKBBMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408988779 1071602581 /nfs/dbraw/zinc/60/25/81/1071602581.db2.gz ROKOENIHHNMFQM-UHFFFAOYSA-N -1 1 631.645 6.402 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737799 1071613093 /nfs/dbraw/zinc/61/30/93/1071613093.db2.gz XSJUQGXPLKDHTM-NSOVKSMOSA-N -1 1 603.635 6.094 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409095895 1072237175 /nfs/dbraw/zinc/23/71/75/1072237175.db2.gz BQWNBUFJUIGJGW-CJIXEESDSA-N -1 1 682.180 5.104 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409098656 1072329750 /nfs/dbraw/zinc/32/97/50/1072329750.db2.gz RANIPJZLRPSTJD-AYMIJMNYSA-N -1 1 697.820 5.521 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097373 1072337888 /nfs/dbraw/zinc/33/78/88/1072337888.db2.gz NLWWBSRIGLGLEC-RNECYNAXSA-N -1 1 726.631 5.213 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409105933 1072346125 /nfs/dbraw/zinc/34/61/25/1072346125.db2.gz PKRMHGXNGHYHRT-BJYVYPIYSA-N -1 1 693.807 5.922 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409108301 1072408021 /nfs/dbraw/zinc/40/80/21/1072408021.db2.gz ZTJCMUNRBYKUQV-JYXZFHPPSA-N -1 1 726.631 5.213 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409372884 1072643964 /nfs/dbraw/zinc/64/39/64/1072643964.db2.gz RUPBMHVWYHCHHN-UHFFFAOYSA-N -1 1 582.016 7.497 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179471 1072810355 /nfs/dbraw/zinc/81/03/55/1072810355.db2.gz OULLYEIJDLSMNY-UHFFFAOYSA-N -1 1 659.142 5.508 40 5 KKBBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cccc([N+](=O)[O-])c5)cc4c3c2)c1 ZINC000005942035 552514381 /nfs/dbraw/zinc/51/43/81/552514381.db2.gz SRIRPKZSMVUODX-UHFFFAOYSA-N -1 1 568.545 5.004 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882789 554458999 /nfs/dbraw/zinc/45/89/99/554458999.db2.gz KPQQFLSGASKKPT-UHFFFAOYSA-N -1 1 615.089 5.191 40 5 KKBBMM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000100921935 554521771 /nfs/dbraw/zinc/52/17/71/554521771.db2.gz FZPNPKXBLNMCBD-UHFFFAOYSA-N -1 1 630.742 5.605 40 5 KKBBMM COc1ccc(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cc(Cl)ccc2[O-])C4=O)cc1Cl ZINC000101666813 554822560 /nfs/dbraw/zinc/82/25/60/554822560.db2.gz MGWGOBPSMASRHP-UHFFFAOYSA-N -1 1 524.316 6.313 40 5 KKBBMM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103555995 555446271 /nfs/dbraw/zinc/44/62/71/555446271.db2.gz IIGHFBBSFNYSHR-PJGOFDOSSA-N -1 1 545.551 5.434 40 5 KKBBMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3[O-])oc2c1 ZINC000105310380 571395969 /nfs/dbraw/zinc/39/59/69/571395969.db2.gz MOISKHUMKMIDJE-UHFFFAOYSA-N -1 1 531.594 5.534 40 5 KKBBMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3[O-])nc2c1 ZINC000105310632 571396124 /nfs/dbraw/zinc/39/61/24/571396124.db2.gz OKHLAJNNQQZOTC-UHFFFAOYSA-N -1 1 528.546 6.058 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000105310675 571396128 /nfs/dbraw/zinc/39/61/28/571396128.db2.gz ILEBOTJYXRYHNK-UHFFFAOYSA-N -1 1 552.012 5.879 40 5 KKBBMM O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197824614 571564978 /nfs/dbraw/zinc/56/49/78/571564978.db2.gz HPGDPLAUAIHAIA-UHFFFAOYSA-N -1 1 669.059 5.902 40 5 KKBBMM O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198320639 571567907 /nfs/dbraw/zinc/56/79/07/571567907.db2.gz WIJYDSWZTMTTKQ-UHFFFAOYSA-N -1 1 669.059 5.902 40 5 KKBBMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550514 572234237 /nfs/dbraw/zinc/23/42/37/572234237.db2.gz DBAMYSDEJPUECX-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408630752 572286586 /nfs/dbraw/zinc/28/65/86/572286586.db2.gz CLDIDTOTJPLRHT-CFRMEGHHSA-N -1 1 583.022 6.237 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])n1 ZINC000408631214 572287114 /nfs/dbraw/zinc/28/71/14/572287114.db2.gz GGIQFHQREGRPSV-GRSHGNNSSA-N -1 1 533.349 6.173 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)[O-])n2)c1 ZINC000408633846 572290748 /nfs/dbraw/zinc/29/07/48/572290748.db2.gz PXXSQCUBCRHMMP-JAIQZWGSSA-N -1 1 573.381 5.637 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc([N+](=O)[O-])cc2)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408680842 572321392 /nfs/dbraw/zinc/32/13/92/572321392.db2.gz HCBFZQBHNOCLNY-JOCHJYFZSA-N -1 1 506.363 5.508 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423484 1069722026 /nfs/dbraw/zinc/72/20/26/1069722026.db2.gz BFSXXWSWWVTKNL-UHFFFAOYSA-N -1 1 561.598 6.743 40 5 KKBBMM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988800 1070361449 /nfs/dbraw/zinc/36/14/49/1070361449.db2.gz FYVLRLDTJVBFHC-QZTJIDSGSA-N -1 1 643.772 7.291 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921717 1071093806 /nfs/dbraw/zinc/09/38/06/1071093806.db2.gz VWRWRHGHKVQNTC-NLRVBDNBSA-N -1 1 533.993 6.228 40 5 KKBBMM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] ZINC000408921484 1071095112 /nfs/dbraw/zinc/09/51/12/1071095112.db2.gz IEAZNRJWZOPVMN-UHFFFAOYSA-N -1 1 513.881 5.629 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408920815 1071098671 /nfs/dbraw/zinc/09/86/71/1071098671.db2.gz NZMRIXDKYJSAFX-XHLNEMQHSA-N -1 1 549.608 6.728 40 5 KKBBMM CCOc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408994214 1071560981 /nfs/dbraw/zinc/56/09/81/1071560981.db2.gz YCKQDEWODIBHEB-UHFFFAOYSA-N -1 1 536.660 7.011 40 5 KKBBMM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408992575 1071572171 /nfs/dbraw/zinc/57/21/71/1071572171.db2.gz SMBAQWVDNIGPBS-UHFFFAOYSA-N -1 1 625.757 8.173 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6C)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408989017 1071599567 /nfs/dbraw/zinc/59/95/67/1071599567.db2.gz GOBHQJIVKYCADL-UHFFFAOYSA-N -1 1 599.719 7.911 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409086281 1072168705 /nfs/dbraw/zinc/16/87/05/1072168705.db2.gz GRBWZISNKGJYCA-KMYVYOQISA-N -1 1 695.779 5.198 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409084203 1072191833 /nfs/dbraw/zinc/19/18/33/1072191833.db2.gz BWFGASYLIWPPIL-BJYVYPIYSA-N -1 1 693.807 5.922 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094582 1072245415 /nfs/dbraw/zinc/24/54/15/1072245415.db2.gz FCBGYYAVCZVBNR-OXDPQRGISA-N -1 1 678.796 5.861 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409108508 1072407423 /nfs/dbraw/zinc/40/74/23/1072407423.db2.gz WJDUHKAQQSWNSB-OXDPQRGISA-N -1 1 678.796 5.861 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108309 1072408092 /nfs/dbraw/zinc/40/80/92/1072408092.db2.gz ZVRJXWDGCVDGIP-KKGHXWGNSA-N -1 1 697.795 5.604 40 5 KKBBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409339429 1072475837 /nfs/dbraw/zinc/47/58/37/1072475837.db2.gz VNCXRGVXXHMPSO-YWEYNIOJSA-N -1 1 508.365 5.084 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369695 1072657975 /nfs/dbraw/zinc/65/79/75/1072657975.db2.gz WAEREXYQALOVMJ-UHFFFAOYSA-N -1 1 565.561 6.982 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172222 1072734453 /nfs/dbraw/zinc/73/44/53/1072734453.db2.gz DHQUSKCZVMCWNW-UHFFFAOYSA-N -1 1 673.169 5.817 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409171705 1072738553 /nfs/dbraw/zinc/73/85/53/1072738553.db2.gz FLTBMHDQSCIWSZ-YZSQISJMSA-N -1 1 533.993 6.228 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409167802 1072759535 /nfs/dbraw/zinc/75/95/35/1072759535.db2.gz NJZDWOFADQNEKY-UHFFFAOYSA-N -1 1 695.175 6.353 40 5 KKBBMM CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C(Sc2nc(C)n[nH]2)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000409190087 1072872304 /nfs/dbraw/zinc/87/23/04/1072872304.db2.gz WCNYSMAZCSCELO-WOJGMQOQSA-N -1 1 544.018 5.322 40 5 KKBBMM CCn1c(Sc2ccc([N+](=O)[O-])cc2C=C(Sc2n[nH]c(C)n2)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000409190087 1072872326 /nfs/dbraw/zinc/87/23/26/1072872326.db2.gz WCNYSMAZCSCELO-WOJGMQOQSA-N -1 1 544.018 5.322 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020060991 553673746 /nfs/dbraw/zinc/67/37/46/553673746.db2.gz WIPSVOXPRANPDV-UHFFFAOYSA-N -1 1 506.005 5.229 40 5 KKBBMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 ZINC000059883297 554460151 /nfs/dbraw/zinc/46/01/51/554460151.db2.gz ZNOKJKHZYBJHJR-ZXVVBBHZSA-N -1 1 527.602 6.192 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100922641 554522564 /nfs/dbraw/zinc/52/25/64/554522564.db2.gz IHHQXWNDVVPVIP-CLJLJLNGSA-N -1 1 509.566 5.373 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930843 554527161 /nfs/dbraw/zinc/52/71/61/554527161.db2.gz JJFZXDSDHSNMCQ-VSGBNLITSA-N -1 1 537.620 5.990 40 5 KKBBMM Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4cccc5c(Br)c([N+](=O)[O-])cc(c54)C3=O)cc2)c1 ZINC000101148665 554656614 /nfs/dbraw/zinc/65/66/14/554656614.db2.gz YNAJEHXKWLPQRU-UHFFFAOYSA-N -1 1 566.389 5.420 40 5 KKBBMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3[O-])oc2c(C)c1 ZINC000105310494 571396088 /nfs/dbraw/zinc/39/60/88/571396088.db2.gz QCKLKOMRLWUCRL-UHFFFAOYSA-N -1 1 528.546 6.112 40 5 KKBBMM COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150372816 571466116 /nfs/dbraw/zinc/46/61/16/571466116.db2.gz ZKODVGBITVAEDA-UHFFFAOYSA-N -1 1 630.708 5.691 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198319825 571567841 /nfs/dbraw/zinc/56/78/41/571567841.db2.gz FGTWDMQNAGBIMW-UHFFFAOYSA-N -1 1 660.730 5.700 40 5 KKBBMM C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)[O-])c(CCC(=O)OC)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000271779166 572133335 /nfs/dbraw/zinc/13/33/35/572133335.db2.gz YTZALCGQUPRCGW-HPJJWIKHSA-N -1 1 718.807 6.527 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408574710 572259799 /nfs/dbraw/zinc/25/97/99/572259799.db2.gz CCNMNZUVLUJJCC-UHFFFAOYSA-N -1 1 510.753 5.064 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)[O-])n1 ZINC000408632265 572288550 /nfs/dbraw/zinc/28/85/50/572288550.db2.gz PKVWNJGUXULBGT-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408632528 572289033 /nfs/dbraw/zinc/28/90/33/572289033.db2.gz QXKKKHOIJVTMAY-FMCGGJTJSA-N -1 1 568.995 5.847 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n1 ZINC000408633211 572289830 /nfs/dbraw/zinc/28/98/30/572289830.db2.gz XEEICQSSBHQJHP-GRSHGNNSSA-N -1 1 533.349 6.173 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1 ZINC000408634245 572291262 /nfs/dbraw/zinc/29/12/62/572291262.db2.gz SRGCASWDIIQSNY-FOKLQQMPSA-N -1 1 550.618 6.075 40 5 KKBBMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21 ZINC000102415349 1069702601 /nfs/dbraw/zinc/70/26/01/1069702601.db2.gz MVABIHGIFPPDFQ-UHFFFAOYSA-N -1 1 562.669 5.781 40 5 KKBBMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3oc(=O)c2c1 ZINC000102415349 1069702612 /nfs/dbraw/zinc/70/26/12/1069702612.db2.gz MVABIHGIFPPDFQ-UHFFFAOYSA-N -1 1 562.669 5.781 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408993535 1070368774 /nfs/dbraw/zinc/36/87/74/1070368774.db2.gz VZTKFMCNZFYANU-HDICACEKSA-N -1 1 617.734 7.029 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409369618 1070893345 /nfs/dbraw/zinc/89/33/45/1070893345.db2.gz RUGYGINKPYVWJP-UHFFFAOYSA-N -1 1 587.636 7.162 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408927261 1071069762 /nfs/dbraw/zinc/06/97/62/1071069762.db2.gz UTPJLXVYIYHXCM-NLRVBDNBSA-N -1 1 578.444 6.337 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408923876 1071085262 /nfs/dbraw/zinc/08/52/62/1071085262.db2.gz HPJKWGIUDXHJML-UHFFFAOYSA-N -1 1 534.299 5.974 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991994 1071576674 /nfs/dbraw/zinc/57/66/74/1071576674.db2.gz PQGQXACABMIDBH-UHFFFAOYSA-N -1 1 660.202 8.908 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408987544 1071612035 /nfs/dbraw/zinc/61/20/35/1071612035.db2.gz BGDSIDOZTRSMHE-UHFFFAOYSA-N -1 1 620.137 8.256 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104365 1072355086 /nfs/dbraw/zinc/35/50/86/1072355086.db2.gz YHUODQBRXLGLMW-MFISQUFLSA-N -1 1 659.790 5.565 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409121845 1072423906 /nfs/dbraw/zinc/42/39/06/1072423906.db2.gz YFNUEUAQUUJSLM-CJIXEESDSA-N -1 1 726.631 5.213 40 5 KKBBMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374203 1072639173 /nfs/dbraw/zinc/63/91/73/1072639173.db2.gz YQOSYESWNCGKAD-UHFFFAOYSA-N -1 1 710.585 8.323 40 5 KKBBMM Cc1coc2c1c1[nH]c(-c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)nc1c1c2ccc2c(C)cccc21 ZINC001547206417 1073190963 /nfs/dbraw/zinc/19/09/63/1073190963.db2.gz YJVODCVBDHJXHG-UHFFFAOYSA-N -1 1 506.945 8.511 40 5 KKBBMM O=c1[n-]c(-c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409260474 1073233835 /nfs/dbraw/zinc/23/38/35/1073233835.db2.gz QRTXDAFPJREMON-UHFFFAOYSA-N -1 1 566.355 7.425 40 5 KKBBMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3[O-])oc2c1 ZINC000008833327 553160294 /nfs/dbraw/zinc/16/02/94/553160294.db2.gz NDBVYENTGDMWPA-UHFFFAOYSA-N -1 1 514.519 5.804 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000038172958 554273930 /nfs/dbraw/zinc/27/39/30/554273930.db2.gz GGJBYXJPJCNEAD-UHFFFAOYSA-N -1 1 500.492 5.495 40 5 KKBBMM CC(=O)O[C@H](COCCCCCCCCCCCCCCCC(=O)[O-])CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000100508748 554408369 /nfs/dbraw/zinc/40/83/69/554408369.db2.gz PKDXOBRCEXMRQQ-RUZDIDTESA-O -1 1 554.682 5.321 40 5 in-vitro KKBBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930841 554527182 /nfs/dbraw/zinc/52/71/82/554527182.db2.gz JJFZXDSDHSNMCQ-ULJKERAFSA-N -1 1 537.620 5.990 40 5 KKBBMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(=O)c3c([O-])c4ccc(Cl)cc4oc-3c2)CC1 ZINC000101369070 554744387 /nfs/dbraw/zinc/74/43/87/554744387.db2.gz IKPQHDMKUYPIRZ-GASCZTMLSA-N -1 1 501.963 5.542 40 5 KKBBMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc([O-])c3c(c2)oc2cc(Cl)ccc2c3=O)CC1 ZINC000101369070 554744390 /nfs/dbraw/zinc/74/43/90/554744390.db2.gz IKPQHDMKUYPIRZ-GASCZTMLSA-N -1 1 501.963 5.542 40 5 KKBBMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105306060 571393945 /nfs/dbraw/zinc/39/39/45/571393945.db2.gz HZDAORQDDVPKBK-UHFFFAOYSA-N -1 1 559.648 6.349 40 5 KKBBMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105308029 571394937 /nfs/dbraw/zinc/39/49/37/571394937.db2.gz XAPYTDJMXBTSOC-UHFFFAOYSA-N -1 1 545.621 5.959 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000105310693 571396092 /nfs/dbraw/zinc/39/60/92/571396092.db2.gz HJHMPDFLGHFWOJ-UHFFFAOYSA-N -1 1 537.985 5.489 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000197824372 571564913 /nfs/dbraw/zinc/56/49/13/571564913.db2.gz DFYBKGSWVICSKI-UHFFFAOYSA-N -1 1 659.142 5.508 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[O-])n1 ZINC000408631399 572287406 /nfs/dbraw/zinc/28/74/06/572287406.db2.gz ILDBAWPUKROYPI-GRSHGNNSSA-N -1 1 577.800 6.282 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408631800 572288010 /nfs/dbraw/zinc/28/80/10/572288010.db2.gz LQAUVPKYGODXIR-CIAFOILYSA-N -1 1 541.010 6.411 40 5 KKBBMM O=C([O-])C(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632000 572288287 /nfs/dbraw/zinc/28/82/87/572288287.db2.gz CJTLVYFBPBAENF-BRPDVVIDSA-N -1 1 620.090 8.376 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)[O-])n1 ZINC000408632902 572289429 /nfs/dbraw/zinc/28/94/29/572289429.db2.gz UWASHNWZHPSDHE-GRSHGNNSSA-N -1 1 516.894 5.659 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1 ZINC000408633342 572290048 /nfs/dbraw/zinc/29/00/48/572290048.db2.gz XUHTWRKXXSSNIK-JJFYIABZSA-N -1 1 617.865 6.601 40 5 KKBBMM O=C([O-])C(=Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634798 572291831 /nfs/dbraw/zinc/29/18/31/572291831.db2.gz UTYCWYBUEMJYMX-DEDYPNTBSA-N -1 1 510.984 6.402 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000108423190 1069719273 /nfs/dbraw/zinc/71/92/73/1069719273.db2.gz HGDIMXUFLIKKPT-UHFFFAOYSA-N -1 1 566.618 5.011 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409372174 1069806896 /nfs/dbraw/zinc/80/68/96/1069806896.db2.gz LWLSMDJPYJRKQU-UHFFFAOYSA-N -1 1 547.571 6.843 40 5 KKBBMM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408993329 1070368600 /nfs/dbraw/zinc/36/86/00/1070368600.db2.gz VPAHJSSEPADJHK-UHFFFAOYSA-N -1 1 637.724 7.412 40 5 KKBBMM O=c1[n-]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCCCC3 ZINC000408985275 1071502576 /nfs/dbraw/zinc/50/25/76/1071502576.db2.gz ANHSGNBBIQZICG-UHFFFAOYSA-N -1 1 511.603 7.363 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408737382 1071615458 /nfs/dbraw/zinc/61/54/58/1071615458.db2.gz NMBWZBNULBTCGG-XMMPIXPASA-N -1 1 603.635 6.443 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409099732 1072324368 /nfs/dbraw/zinc/32/43/68/1072324368.db2.gz SJOBTDVMHWKAGC-CUJRCQHQSA-N -1 1 695.779 5.198 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409102518 1072366650 /nfs/dbraw/zinc/36/66/50/1072366650.db2.gz AUPMUTTWJSIBQU-RBXKPUFLSA-N -1 1 671.160 5.391 40 5 KKBBMM COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)o1 ZINC000409372667 1072644520 /nfs/dbraw/zinc/64/45/20/1072644520.db2.gz PBLUDUZMUAEQGR-UHFFFAOYSA-N -1 1 577.597 6.852 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409369102 1072661015 /nfs/dbraw/zinc/66/10/15/1072661015.db2.gz CJBXNHZRGNQDKN-UHFFFAOYSA-N -1 1 745.428 8.687 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367492 1072670346 /nfs/dbraw/zinc/67/03/46/1072670346.db2.gz BTMXWFMRKSJRLI-UHFFFAOYSA-N -1 1 561.598 7.152 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409176153 1072711630 /nfs/dbraw/zinc/71/16/30/1072711630.db2.gz IWMPBVNEHYAVLV-VULFUBBASA-N -1 1 568.438 6.882 40 5 KKBBMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409172455 1072734049 /nfs/dbraw/zinc/73/40/49/1072734049.db2.gz IQMPXCMZRCEHHU-LGUFXXKBSA-N -1 1 513.575 5.883 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181491 1072797914 /nfs/dbraw/zinc/79/79/14/1072797914.db2.gz BSAGKIFBUDCZNO-UHFFFAOYSA-N -1 1 747.557 6.872 40 5 KKBBMM C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)[O-])c(CCC(=O)OC)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000087520317 553693461 /nfs/dbraw/zinc/69/34/61/553693461.db2.gz ZCQHFRFEJXRZDF-UMBAWLCISA-N -1 1 718.807 6.527 40 5 in-vitro KKBBMM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000100921933 554521718 /nfs/dbraw/zinc/52/17/18/554521718.db2.gz WOGMIZJGRGKLSV-UHFFFAOYSA-N -1 1 630.742 5.605 40 5 KKBBMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102738710 555027516 /nfs/dbraw/zinc/02/75/16/555027516.db2.gz XOGFVUWLFDJLNB-AWCRTANDSA-N -1 1 504.973 6.698 40 5 KKBBMM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102742067 555030787 /nfs/dbraw/zinc/03/07/87/555030787.db2.gz IVXWRWYERCRTMU-ULNSLHSMSA-N -1 1 549.424 6.807 40 5 KKBBMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105306557 571394072 /nfs/dbraw/zinc/39/40/72/571394072.db2.gz WDQFDSLRYIAWRE-UHFFFAOYSA-N -1 1 561.620 5.195 40 5 KKBBMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3[O-])nc2c1 ZINC000105310598 571396164 /nfs/dbraw/zinc/39/61/64/571396164.db2.gz IYZBWKHMYVUKFF-UHFFFAOYSA-N -1 1 528.546 6.058 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198310543 571566990 /nfs/dbraw/zinc/56/69/90/571566990.db2.gz KNUOXUHXSIQAMO-UHFFFAOYSA-N -1 1 645.115 5.200 40 5 KKBBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000408606841 572275054 /nfs/dbraw/zinc/27/50/54/572275054.db2.gz RESLQZMZADCAHL-WYMLVPIESA-N -1 1 558.572 5.573 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n1 ZINC000408631170 572287101 /nfs/dbraw/zinc/28/71/01/572287101.db2.gz FQZNZNMFVQUZQF-UUYOSTAYSA-N -1 1 538.969 5.839 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[O-])n2)c1 ZINC000408631472 572287554 /nfs/dbraw/zinc/28/75/54/572287554.db2.gz DZVUSEKZIOUHNI-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)C(=O)[O-])n2)c1 ZINC000408632230 572288560 /nfs/dbraw/zinc/28/85/60/572288560.db2.gz IBXOFRUZTLMTQC-JAIQZWGSSA-N -1 1 512.475 5.014 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n1 ZINC000408632570 572289046 /nfs/dbraw/zinc/28/90/46/572289046.db2.gz RLMFFGPXKYUZSI-NHDPSOOVSA-N -1 1 526.958 6.137 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C(=O)[O-])n2)c1 ZINC000408633654 572290427 /nfs/dbraw/zinc/29/04/27/572290427.db2.gz OJXWMFKPXHMRHT-UUYOSTAYSA-N -1 1 522.539 5.492 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634392 572291378 /nfs/dbraw/zinc/29/13/78/572291378.db2.gz QPIYTWVCBYAGOI-ZDLGFXPLSA-N -1 1 503.323 6.165 40 5 KKBBMM O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634796 572291813 /nfs/dbraw/zinc/29/18/13/572291813.db2.gz USXOTNPWLBBRDB-DEDYPNTBSA-N -1 1 510.984 6.402 40 5 KKBBMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408925981 1071075549 /nfs/dbraw/zinc/07/55/49/1071075549.db2.gz VVDONTKWLXLDLW-UHFFFAOYSA-N -1 1 634.614 5.248 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408920614 1071103605 /nfs/dbraw/zinc/10/36/05/1071103605.db2.gz KEZCPSZHXXKJSB-YZSQISJMSA-N -1 1 567.545 6.594 40 5 KKBBMM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991735 1071579087 /nfs/dbraw/zinc/57/90/87/1071579087.db2.gz PCHFEJUEHNCIIJ-RTBURBONSA-N -1 1 657.799 7.682 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095310 1072240643 /nfs/dbraw/zinc/24/06/43/1072240643.db2.gz HKXBJNDEAMJAMF-UJVJZFQOSA-N -1 1 686.171 5.452 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409108510 1072407548 /nfs/dbraw/zinc/40/75/48/1072407548.db2.gz WJDUHKAQQSWNSB-PSAPEEBNSA-N -1 1 678.796 5.861 40 5 KKBBMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368833 1072663130 /nfs/dbraw/zinc/66/31/30/1072663130.db2.gz OWHJJEGDFKYWME-UHFFFAOYSA-N -1 1 757.585 8.166 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368121 1072667230 /nfs/dbraw/zinc/66/72/30/1072667230.db2.gz RZIRZCIYWMWACW-UHFFFAOYSA-N -1 1 582.016 7.497 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175183 1072717859 /nfs/dbraw/zinc/71/78/59/1072717859.db2.gz WZEJKIOVHQAVBY-UHFFFAOYSA-N -1 1 679.560 5.853 40 5 KKBBMM O=c1[n-]c(-c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409253676 1073178591 /nfs/dbraw/zinc/17/85/91/1073178591.db2.gz GKDZMSGHVADLJP-UHFFFAOYSA-N -1 1 543.355 6.314 40 5 KKBBMM COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000059489713 554398756 /nfs/dbraw/zinc/39/87/56/554398756.db2.gz PYXPVRAHXNGHSS-UHFFFAOYSA-N -1 1 501.611 5.615 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000059888424 554471200 /nfs/dbraw/zinc/47/12/00/554471200.db2.gz XYCPGNFHWPRRKH-UHFFFAOYSA-N -1 1 615.089 5.191 40 5 KKBBMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O)c1ccccc1 ZINC000103762220 555471586 /nfs/dbraw/zinc/47/15/86/555471586.db2.gz TZYJGZYVPQAAKP-UHFFFAOYSA-N -1 1 526.509 5.083 40 5 KKBBMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3[O-])nc2c1 ZINC000105304603 571393230 /nfs/dbraw/zinc/39/32/30/571393230.db2.gz AIGPCBGUIYJUTK-UHFFFAOYSA-N -1 1 542.573 6.619 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000198311314 571566898 /nfs/dbraw/zinc/56/68/98/571566898.db2.gz GLLBBBQZDWFFGE-UHFFFAOYSA-N -1 1 638.724 5.163 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408630531 572286328 /nfs/dbraw/zinc/28/63/28/572286328.db2.gz BDOLSNXXTUIBTB-QFEZKATASA-N -1 1 576.034 6.571 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n1 ZINC000408631167 572287166 /nfs/dbraw/zinc/28/71/66/572287166.db2.gz FPDOGLWXFFUQHW-GXHLCREISA-N -1 1 567.794 6.827 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000108423164 1069718430 /nfs/dbraw/zinc/71/84/30/1069718430.db2.gz NGLHBKHTYXSBLV-UHFFFAOYSA-N -1 1 515.957 5.828 40 5 KKBBMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423440 1069721317 /nfs/dbraw/zinc/72/13/17/1069721317.db2.gz YMVZGXFRRVNBRJ-UHFFFAOYSA-N -1 1 511.538 5.183 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408920252 1070225170 /nfs/dbraw/zinc/22/51/70/1070225170.db2.gz DDBKVRGCZRZPET-UHFFFAOYSA-N -1 1 705.565 5.009 40 5 KKBBMM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc6sc7c(c6c(=O)[n-]5)CCCC7)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408990334 1070355448 /nfs/dbraw/zinc/35/54/48/1070355448.db2.gz KRIYPPLZYGQPMP-UHFFFAOYSA-N -1 1 625.757 8.173 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408922388 1071092056 /nfs/dbraw/zinc/09/20/56/1071092056.db2.gz AFONNTTWRSFWDR-YZSQISJMSA-N -1 1 567.545 6.594 40 5 KKBBMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991733 1071579191 /nfs/dbraw/zinc/57/91/91/1071579191.db2.gz PCHFEJUEHNCIIJ-KDURUIRLSA-N -1 1 657.799 7.682 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408990700 1071588231 /nfs/dbraw/zinc/58/82/31/1071588231.db2.gz LLMHYAMISLCWEZ-UHFFFAOYSA-N -1 1 646.175 8.518 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408990290 1071589672 /nfs/dbraw/zinc/58/96/72/1071589672.db2.gz KHSBIOIIOMFRDH-UHFFFAOYSA-N -1 1 620.137 8.256 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409092468 1072263066 /nfs/dbraw/zinc/26/30/66/1072263066.db2.gz YUQLHYUBMZNTKB-MHRPSJHKSA-N -1 1 716.197 5.461 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409091008 1072276993 /nfs/dbraw/zinc/27/69/93/1072276993.db2.gz SDWJFFLDGBEZLQ-XNOUSZLFSA-N -1 1 709.806 5.586 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409099510 1072324855 /nfs/dbraw/zinc/32/48/55/1072324855.db2.gz NVTNTMWOFWIYHH-JDKSNUEYSA-N -1 1 716.197 5.461 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409122157 1072422979 /nfs/dbraw/zinc/42/29/79/1072422979.db2.gz ZXWIWACRGJMROA-MHRPSJHKSA-N -1 1 760.648 5.570 40 5 KKBBMM O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000003044909 552275633 /nfs/dbraw/zinc/27/56/33/552275633.db2.gz RLJZUEOFNCFDQZ-UHFFFAOYSA-N -1 1 597.359 5.020 40 5 KKBBMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1[N+](=O)[O-] ZINC000014275048 553507954 /nfs/dbraw/zinc/50/79/54/553507954.db2.gz QFIKDOBDUZGIPF-UHFFFAOYSA-N -1 1 506.540 5.251 40 5 KKBBMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] ZINC000100048493 554194143 /nfs/dbraw/zinc/19/41/43/554194143.db2.gz YTIMERIOCXABID-UHFFFAOYSA-N -1 1 582.616 5.388 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331431 554388682 /nfs/dbraw/zinc/38/86/82/554388682.db2.gz YCORTBRESLNLHW-UHFFFAOYSA-N -1 1 517.567 5.226 40 5 KKBBMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059858457 554455872 /nfs/dbraw/zinc/45/58/72/554455872.db2.gz VLGYDGNAAKAICQ-UHFFFAOYSA-N -1 1 616.677 5.383 40 5 KKBBMM O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000101141839 554653635 /nfs/dbraw/zinc/65/36/35/554653635.db2.gz FAGMVYHWMWPWRE-UHFFFAOYSA-N -1 1 568.523 5.411 40 5 KKBBMM O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197825386 571564910 /nfs/dbraw/zinc/56/49/10/571564910.db2.gz KJTGCNLRXCTCDN-UHFFFAOYSA-N -1 1 669.059 5.902 40 5 KKBBMM Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000408550155 572233446 /nfs/dbraw/zinc/23/34/46/572233446.db2.gz ALJXVJYXGOLECV-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408592889 572268852 /nfs/dbraw/zinc/26/88/52/572268852.db2.gz OZEFKTCSAWAJQW-UHFFFAOYSA-N -1 1 543.907 5.394 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408631325 572287418 /nfs/dbraw/zinc/28/74/18/572287418.db2.gz HNWJWRVPMXTNMD-WSDLNYQXSA-N -1 1 555.037 6.719 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)C(=O)[O-])n2)c1 ZINC000408631638 572287733 /nfs/dbraw/zinc/28/77/33/572287733.db2.gz GBKCEVQNCCWWAF-YDZHTSKRSA-N -1 1 550.618 6.075 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1 ZINC000408631795 572287985 /nfs/dbraw/zinc/28/79/85/572287985.db2.gz LOGNRFILNVHKIU-UUYOSTAYSA-N -1 1 538.969 5.839 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])ccc3Sc3ccccc3)C(=O)[O-])n2)c1 ZINC000408631917 572288136 /nfs/dbraw/zinc/28/81/36/572288136.db2.gz HEFNNRKYSJCXCM-LPYMAVHISA-N -1 1 536.591 5.766 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[O-])n1 ZINC000408632774 572289264 /nfs/dbraw/zinc/28/92/64/572289264.db2.gz SIPDDVXKDKAMFB-JAIQZWGSSA-N -1 1 512.931 5.828 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634100 572290927 /nfs/dbraw/zinc/29/09/27/572290927.db2.gz PAKUNTCCUPUKSM-ZDLGFXPLSA-N -1 1 503.323 6.165 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1 ZINC000408634034 572290956 /nfs/dbraw/zinc/29/09/56/572290956.db2.gz RFHFBOHMKICXCF-LSHDLFTRSA-N -1 1 571.036 6.420 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634402 572291340 /nfs/dbraw/zinc/29/13/40/572291340.db2.gz QTDWXUOKNFJBJN-WSVATBPTSA-N -1 1 537.768 6.818 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)[O-])n2)c1 ZINC000408634326 572291388 /nfs/dbraw/zinc/29/13/88/572291388.db2.gz ULRFWHFQIWTASM-QRVIBDJDSA-N -1 1 534.550 5.194 40 5 KKBBMM Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000408635508 572292576 /nfs/dbraw/zinc/29/25/76/572292576.db2.gz CPLGFKCEOHCXBF-UHFFFAOYSA-N -1 1 510.355 5.028 40 5 KKBBMM CCc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423170 1069718486 /nfs/dbraw/zinc/71/84/86/1069718486.db2.gz HCOAGXZBQIDWPZ-UHFFFAOYSA-N -1 1 509.566 5.737 40 5 KKBBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408984753 1071505243 /nfs/dbraw/zinc/50/52/43/1071505243.db2.gz JVVRCNKVZDXFJE-UHFFFAOYSA-N -1 1 645.672 6.792 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408989088 1071599955 /nfs/dbraw/zinc/59/99/55/1071599955.db2.gz GXCKEJIDNVYCJT-UHFFFAOYSA-N -1 1 585.692 7.602 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409094898 1072243467 /nfs/dbraw/zinc/24/34/67/1072243467.db2.gz GFYOXVRBDDMIIN-VVGPUZASSA-N -1 1 709.806 5.586 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097363 1072337917 /nfs/dbraw/zinc/33/79/17/1072337917.db2.gz NLWWBSRIGLGLEC-ASZHOJRSSA-N -1 1 726.631 5.213 40 5 KKBBMM COc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000409367636 1072669971 /nfs/dbraw/zinc/66/99/71/1072669971.db2.gz GSPAMZYYNSOUOM-UHFFFAOYSA-N -1 1 511.538 5.592 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168408 1072754459 /nfs/dbraw/zinc/75/44/59/1072754459.db2.gz RCODHFAHMRKRPB-UHFFFAOYSA-N -1 1 693.587 6.162 40 5 KKBBMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc([N+](=O)[O-])cc5)cc4c3c2)cc1 ZINC000005942052 552514423 /nfs/dbraw/zinc/51/44/23/552514423.db2.gz GOKCSDKPBISOCO-UHFFFAOYSA-N -1 1 568.545 5.004 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000016292779 553559199 /nfs/dbraw/zinc/55/91/99/553559199.db2.gz IZAQEVNAVAZTDD-ZVBBVAIHSA-N -1 1 509.566 5.373 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000021305729 553709420 /nfs/dbraw/zinc/70/94/20/553709420.db2.gz VWUPILVZFRUSSV-UHFFFAOYSA-N -1 1 500.747 5.608 40 5 KKBBMM O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000101148767 554656759 /nfs/dbraw/zinc/65/67/59/554656759.db2.gz NTNWNVKBOZXWKY-UHFFFAOYSA-N -1 1 602.422 6.265 40 5 KKBBMM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102738715 555027430 /nfs/dbraw/zinc/02/74/30/555027430.db2.gz XOGFVUWLFDJLNB-ULNSLHSMSA-N -1 1 504.973 6.698 40 5 KKBBMM O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102896825 555136822 /nfs/dbraw/zinc/13/68/22/555136822.db2.gz BBUWHNWAKLCWMN-PVHODMMVSA-N -1 1 569.957 5.519 40 5 KKBBMM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103555990 555446189 /nfs/dbraw/zinc/44/61/89/555446189.db2.gz IIGHFBBSFNYSHR-IDSQFFPFSA-N -1 1 545.551 5.434 40 5 KKBBMM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106739568 571417160 /nfs/dbraw/zinc/41/71/60/571417160.db2.gz JLYXUYDCQAUIKP-ZSOIEALJSA-N -1 1 558.204 5.461 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n1 ZINC000408631803 572288000 /nfs/dbraw/zinc/28/80/00/572288000.db2.gz GLWCMOBJUBAGKH-JAIQZWGSSA-N -1 1 512.931 5.828 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)[O-])n2)c1 ZINC000408631900 572288211 /nfs/dbraw/zinc/28/82/11/572288211.db2.gz HCKLWLHCOLNALX-MTJSOVHGSA-N -1 1 508.512 5.183 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])n1 ZINC000408632736 572289298 /nfs/dbraw/zinc/28/92/98/572289298.db2.gz SAUICRPZHHDYIQ-KSEXSDGBSA-N -1 1 568.995 5.847 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1 ZINC000408633610 572290320 /nfs/dbraw/zinc/29/03/20/572290320.db2.gz ODSFALLTUZMGAY-SSDVNMTOSA-N -1 1 536.591 5.766 40 5 KKBBMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408634186 572291071 /nfs/dbraw/zinc/29/10/71/572291071.db2.gz RUQIBOOGSCZPRW-ROTLSHHCSA-N -1 1 578.603 5.593 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)[O-])n2)c1 ZINC000408634484 572291502 /nfs/dbraw/zinc/29/15/02/572291502.db2.gz VDXFPKLVIPAOSV-MTJSOVHGSA-N -1 1 508.512 5.183 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)[O-])n2)c1 ZINC000408634663 572291710 /nfs/dbraw/zinc/29/17/10/572291710.db2.gz WFXVOSKITXCWOB-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM CCCOc1c2cccc1Cc1cc(C=O)cc(c1O)Cc1cccc(c1OCCC)Cc1cc([N+](=O)[O-])cc(c1[O-])C2 ZINC000409421908 1069813975 /nfs/dbraw/zinc/81/39/75/1069813975.db2.gz IZGWXTYUWQNBNT-UHFFFAOYSA-N -1 1 581.665 7.073 40 5 KKBBMM O=c1/c(=C\c2cc(Br)cc(I)c2[O-])sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000408842958 1070046887 /nfs/dbraw/zinc/04/68/87/1070046887.db2.gz KTZFSVVVFLFSGD-XOBACGFXSA-N -1 1 686.325 5.300 40 5 KKBBMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] ZINC000408906550 1070180562 /nfs/dbraw/zinc/18/05/62/1070180562.db2.gz HDWKUDXSNNTIRS-UHFFFAOYSA-N -1 1 513.881 5.629 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408989392 1070353738 /nfs/dbraw/zinc/35/37/38/1070353738.db2.gz HQMCUPPZLGUCOQ-UHFFFAOYSA-N -1 1 625.757 8.254 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408925316 1071077781 /nfs/dbraw/zinc/07/77/81/1071077781.db2.gz PAWAYHRITJONEL-UHFFFAOYSA-N -1 1 544.851 5.228 40 5 KKBBMM O=c1[n-]c(-c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3 ZINC000408992191 1071573143 /nfs/dbraw/zinc/57/31/43/1071573143.db2.gz QTSVODQYNDAGEC-UHFFFAOYSA-N -1 1 500.605 6.940 40 5 KKBBMM CCOc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408991986 1071576639 /nfs/dbraw/zinc/57/66/39/1071576639.db2.gz PNXXCUCYGVSNLL-UHFFFAOYSA-N -1 1 550.687 7.401 40 5 KKBBMM CCOc1ccc2nc(Sc3ccc(-c4nc5sc(C)c(C)c5c(=O)[n-]4)cc3[N+](=O)[O-])sc2c1 ZINC000408991631 1071578583 /nfs/dbraw/zinc/57/85/83/1071578583.db2.gz OPKLLGKJMISOJV-UHFFFAOYSA-N -1 1 510.622 6.749 40 5 KKBBMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988804 1071602615 /nfs/dbraw/zinc/60/26/15/1071602615.db2.gz FYVLRLDTJVBFHC-ROUUACIJSA-N -1 1 643.772 7.291 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409091005 1072276977 /nfs/dbraw/zinc/27/69/77/1072276977.db2.gz SDWJFFLDGBEZLQ-VVGPUZASSA-N -1 1 709.806 5.586 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409101234 1072316380 /nfs/dbraw/zinc/31/63/80/1072316380.db2.gz SFRPFVJJIMUMGE-AYMIJMNYSA-N -1 1 697.820 5.521 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409105931 1072346153 /nfs/dbraw/zinc/34/61/53/1072346153.db2.gz PKRMHGXNGHYHRT-AFOHCANTSA-N -1 1 693.807 5.922 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409106037 1072346634 /nfs/dbraw/zinc/34/66/34/1072346634.db2.gz QBMPKKNZNXFIFF-RGDUZTMSSA-N -1 1 659.790 5.565 40 5 KKBBMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409105882 1072347577 /nfs/dbraw/zinc/34/75/77/1072347577.db2.gz JOGIRZYDTSBBBH-BMZLMQSUSA-N -1 1 696.811 5.129 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369611 1072657335 /nfs/dbraw/zinc/65/73/35/1072657335.db2.gz RFIIISFGLSHIRZ-UHFFFAOYSA-N -1 1 582.016 7.497 40 5 KKBBMM O=c1[n-]c(-c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409257335 1073252097 /nfs/dbraw/zinc/25/20/97/1073252097.db2.gz QCTGKOBRMMOLKW-UHFFFAOYSA-N -1 1 512.385 6.192 40 5 KKBBMM COC(=O)CN(c1ccc2cc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3nc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000004232952 552451278 /nfs/dbraw/zinc/45/12/78/552451278.db2.gz DXUANLLRLCIIPY-UHFFFAOYSA-N -1 1 589.695 5.174 40 5 KKBBMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1[N+](=O)[O-] ZINC000008833351 553160316 /nfs/dbraw/zinc/16/03/16/553160316.db2.gz PBYNQSNZEFSJEM-UHFFFAOYSA-N -1 1 506.540 5.197 40 5 KKBBMM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000103555996 555446220 /nfs/dbraw/zinc/44/62/20/555446220.db2.gz IIGHFBBSFNYSHR-FFAHVWSXSA-N -1 1 545.551 5.434 40 5 KKBBMM O=C(Nc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[O-])nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103772939 555475506 /nfs/dbraw/zinc/47/55/06/555475506.db2.gz LLEGFNFXNWTRHV-UHFFFAOYSA-N -1 1 539.460 5.521 40 5 KKBBMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3[O-])oc2c(C)c1 ZINC000105310490 571396136 /nfs/dbraw/zinc/39/61/36/571396136.db2.gz GPFISCUDVOMSIZ-UHFFFAOYSA-N -1 1 531.594 5.452 40 5 KKBBMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197823946 571564985 /nfs/dbraw/zinc/56/49/85/571564985.db2.gz ABFZKAVEWJKOSC-UHFFFAOYSA-N -1 1 669.059 5.902 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000197831151 571565668 /nfs/dbraw/zinc/56/56/68/571565668.db2.gz LHMMMLBZWYKJKF-UHFFFAOYSA-N -1 1 729.111 5.919 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198311547 571566952 /nfs/dbraw/zinc/56/69/52/571566952.db2.gz AJRFZHUXJADFGT-UHFFFAOYSA-N -1 1 675.141 5.209 40 5 KKBBMM C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)[O-])c(CCC(=O)OC)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000198396840 571568080 /nfs/dbraw/zinc/56/80/80/571568080.db2.gz YTZALCGQUPRCGW-UMBAWLCISA-N -1 1 718.807 6.527 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211052101 571576126 /nfs/dbraw/zinc/57/61/26/571576126.db2.gz YEWOKBQNKQRATD-NLRVBDNBSA-N -1 1 533.993 6.228 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408575237 572260373 /nfs/dbraw/zinc/26/03/73/572260373.db2.gz HZWYFHHNWBTKGV-UHFFFAOYSA-N -1 1 534.299 5.974 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)[O-])n1 ZINC000408630707 572286385 /nfs/dbraw/zinc/28/63/85/572286385.db2.gz CDSFOCBNBOOOKO-FYJGNVAPSA-N -1 1 530.006 5.640 40 5 KKBBMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408631680 572287825 /nfs/dbraw/zinc/28/78/25/572287825.db2.gz AISPIJKRANZWCY-UUYOSTAYSA-N -1 1 538.969 5.839 40 5 KKBBMM O=C([O-])C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631651 572287927 /nfs/dbraw/zinc/28/79/27/572287927.db2.gz AGDHDGAZVYAEIB-ZDLGFXPLSA-N -1 1 547.774 6.274 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C(=O)[O-])n2)c1 ZINC000408633393 572290118 /nfs/dbraw/zinc/29/01/18/572290118.db2.gz MTVQBYKPKAXGGQ-MTJSOVHGSA-N -1 1 508.512 5.183 40 5 KKBBMM O=C([O-])C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633706 572290464 /nfs/dbraw/zinc/29/04/64/572290464.db2.gz LPMSLQHNTZPVKA-BKUYFWCQSA-N -1 1 508.943 5.830 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634546 572291597 /nfs/dbraw/zinc/29/15/97/572291597.db2.gz VZVBTCSTZUAJOI-MYKKPKGFSA-N -1 1 564.576 5.203 40 5 KKBBMM O=C([O-])C(=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634613 572291684 /nfs/dbraw/zinc/29/16/84/572291684.db2.gz SLESGZDYRNKYEQ-BKUYFWCQSA-N -1 1 508.943 5.830 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409101235 1070534365 /nfs/dbraw/zinc/53/43/65/1070534365.db2.gz SFRPFVJJIMUMGE-VXBWEVHPSA-N -1 1 697.820 5.521 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409371137 1070894759 /nfs/dbraw/zinc/89/47/59/1070894759.db2.gz FQTHXSOIMCRCNA-UHFFFAOYSA-N -1 1 666.532 7.925 40 5 KKBBMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 ZINC000408920634 1071104051 /nfs/dbraw/zinc/10/40/51/1071104051.db2.gz KYDIUDAHYIJUCQ-ZXVVBBHZSA-N -1 1 527.602 6.192 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408990327 1071590263 /nfs/dbraw/zinc/59/02/63/1071590263.db2.gz KOTGHRYKUGHDBV-UHFFFAOYSA-N -1 1 660.202 8.908 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097928 1072334533 /nfs/dbraw/zinc/33/45/33/1072334533.db2.gz HTXJAYNGZKSIRY-CJIXEESDSA-N -1 1 682.180 5.104 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409108310 1072408414 /nfs/dbraw/zinc/40/84/14/1072408414.db2.gz ZVRJXWDGCVDGIP-NLMYKXADSA-N -1 1 697.795 5.604 40 5 KKBBMM COc1cc(OC)c([N+](=O)[O-])cc1C(c1c(=O)[nH][n-]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409374012 1072639840 /nfs/dbraw/zinc/63/98/40/1072639840.db2.gz WSUHBLCQHZXVEC-UHFFFAOYSA-N -1 1 541.564 5.600 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409373186 1072642932 /nfs/dbraw/zinc/64/29/32/1072642932.db2.gz SBFWKZSDQDDKGY-UHFFFAOYSA-N -1 1 618.606 7.284 40 5 KKBBMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409367549 1072668829 /nfs/dbraw/zinc/66/88/29/1072668829.db2.gz FDPLADIRKVNNJX-UHFFFAOYSA-N -1 1 617.662 7.171 40 5 KKBBMM COc1ccc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000409367810 1072668880 /nfs/dbraw/zinc/66/88/80/1072668880.db2.gz LMZVNHLXWPHVRE-UHFFFAOYSA-N -1 1 577.597 6.852 40 5 KKBBMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409257747 1073250818 /nfs/dbraw/zinc/25/08/18/1073250818.db2.gz UQKSJKMRBMBNGM-UHFFFAOYSA-N -1 1 531.512 7.061 40 5 KKBBMM O=c1[n-]c(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCC3 ZINC000409273123 1073335177 /nfs/dbraw/zinc/33/51/77/1073335177.db2.gz VPRIQSCPOLRFHV-UHFFFAOYSA-N -1 1 512.385 6.192 40 5 KKBBMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3[O-])oc2c1 ZINC000014275034 553507925 /nfs/dbraw/zinc/50/79/25/553507925.db2.gz VNYGPFUUJOWLNG-UHFFFAOYSA-N -1 1 514.519 5.804 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000016292778 553559211 /nfs/dbraw/zinc/55/92/11/553559211.db2.gz IZAQEVNAVAZTDD-UIOOFZCWSA-N -1 1 509.566 5.373 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000021305736 553709395 /nfs/dbraw/zinc/70/93/95/553709395.db2.gz VKWSBKMJKGUSJW-UHFFFAOYSA-N -1 1 500.747 5.608 40 5 KKBBMM CCCCCCc1cc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)/c(=N/Nc3ccc([N+](=O)[O-])cc3)oc2cc1[O-] ZINC000100165304 554236491 /nfs/dbraw/zinc/23/64/91/554236491.db2.gz PYUYBQACXCYDQY-IYOYZZHUSA-N -1 1 585.642 7.796 40 5 KKBBMM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000103556001 555446253 /nfs/dbraw/zinc/44/62/53/555446253.db2.gz IIGHFBBSFNYSHR-NAQGONTDSA-N -1 1 545.551 5.434 40 5 KKBBMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105305910 571393886 /nfs/dbraw/zinc/39/38/86/571393886.db2.gz RIMLWLUNZMTJQQ-UHFFFAOYSA-N -1 1 531.594 5.534 40 5 KKBBMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000105310614 571396167 /nfs/dbraw/zinc/39/61/67/571396167.db2.gz KPLSTXAPOLYOHN-UHFFFAOYSA-N -1 1 545.621 5.788 40 5 KKBBMM O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000198310617 571566902 /nfs/dbraw/zinc/56/69/02/571566902.db2.gz BGIGLADUCIVWTP-UHFFFAOYSA-N -1 1 634.614 5.248 40 5 KKBBMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000408596684 572271090 /nfs/dbraw/zinc/27/10/90/572271090.db2.gz XLKNVZNBQOBWBI-UHFFFAOYSA-N -1 1 529.880 5.085 40 5 KKBBMM Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4nonc43)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408605921 572274625 /nfs/dbraw/zinc/27/46/25/572274625.db2.gz NNLPJHNSWVIYIP-UHFFFAOYSA-N -1 1 539.371 5.615 40 5 KKBBMM O=C([O-])C(=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631736 572287955 /nfs/dbraw/zinc/28/79/55/572287955.db2.gz BJGIABQNYQBKJQ-BKUYFWCQSA-N -1 1 508.943 5.830 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)[O-])n1 ZINC000408633154 572289861 /nfs/dbraw/zinc/28/98/61/572289861.db2.gz WNLRXJAOYFOBDC-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)[O-])n2)c1 ZINC000408634185 572291075 /nfs/dbraw/zinc/29/10/75/572291075.db2.gz RUQCMYBKTYTJQR-FMCGGJTJSA-N -1 1 613.446 5.956 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409100763 1070533758 /nfs/dbraw/zinc/53/37/58/1070533758.db2.gz WQLCAWRXYPXAKZ-NPHLBUJTSA-N -1 1 686.171 5.452 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408923367 1071088372 /nfs/dbraw/zinc/08/83/72/1071088372.db2.gz CFQBCOITNUBFJR-XIEYBQDHSA-N -1 1 548.020 6.537 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408991736 1071579154 /nfs/dbraw/zinc/57/91/54/1071579154.db2.gz PCOZTBTVQTUKLH-UHFFFAOYSA-N -1 1 611.686 7.150 40 5 KKBBMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408988159 1071607186 /nfs/dbraw/zinc/60/71/86/1071607186.db2.gz HGSKEIRYKHWBBR-UHFFFAOYSA-N -1 1 505.596 6.609 40 5 KKBBMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096292 1072234323 /nfs/dbraw/zinc/23/43/23/1072234323.db2.gz DCVXIRREWCTYNF-XLHJEKARSA-N -1 1 696.811 5.129 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409095900 1072237258 /nfs/dbraw/zinc/23/72/58/1072237258.db2.gz BQWNBUFJUIGJGW-ZDZYTSRMSA-N -1 1 682.180 5.104 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095305 1072240538 /nfs/dbraw/zinc/24/05/38/1072240538.db2.gz HKXBJNDEAMJAMF-NPHLBUJTSA-N -1 1 686.171 5.452 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409099734 1072324522 /nfs/dbraw/zinc/32/45/22/1072324522.db2.gz SJOBTDVMHWKAGC-KMYVYOQISA-N -1 1 695.779 5.198 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409104366 1072355205 /nfs/dbraw/zinc/35/52/05/1072355205.db2.gz YHUODQBRXLGLMW-RGDUZTMSSA-N -1 1 659.790 5.565 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000409372544 1072645058 /nfs/dbraw/zinc/64/50/58/1072645058.db2.gz MIAIZIXZFJWBAD-UHFFFAOYSA-N -1 1 525.521 5.312 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369581 1072658530 /nfs/dbraw/zinc/65/85/30/1072658530.db2.gz PRNQONIYNQCXNP-UHFFFAOYSA-N -1 1 626.467 7.606 40 5 KKBBMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409369229 1072659754 /nfs/dbraw/zinc/65/97/54/1072659754.db2.gz ILYRKKVEUVQLQC-UHFFFAOYSA-N -1 1 631.689 7.561 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409368717 1072661999 /nfs/dbraw/zinc/66/19/99/1072661999.db2.gz JLCAXCDSYYPDRV-UHFFFAOYSA-N -1 1 515.957 6.237 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172210 1072734461 /nfs/dbraw/zinc/73/44/61/1072734461.db2.gz DDALLOSIWYJPBU-UHFFFAOYSA-N -1 1 714.005 6.507 40 5 KKBBMM C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)[O-])c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000043769730 554299921 /nfs/dbraw/zinc/29/99/21/554299921.db2.gz YTZALCGQUPRCGW-XQUWYEIYSA-N -1 1 718.807 6.527 40 5 in-man KKBBMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000059331509 554388785 /nfs/dbraw/zinc/38/87/85/554388785.db2.gz SSEQQCAGJXWQAK-UHFFFAOYSA-N -1 1 517.567 5.144 40 5 KKBBMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3[O-])oc2c1 ZINC000059331525 554389233 /nfs/dbraw/zinc/38/92/33/554389233.db2.gz CJURBJVIKSJEDJ-UHFFFAOYSA-N -1 1 517.567 5.144 40 5 KKBBMM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059882179 554457786 /nfs/dbraw/zinc/45/77/86/554457786.db2.gz LVTKMBCTSCBMMP-NYYWCZLTSA-N -1 1 525.892 5.720 40 5 KKBBMM O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059882739 554458755 /nfs/dbraw/zinc/45/87/55/554458755.db2.gz APNJZHGXFDEZIV-UHFFFAOYSA-N -1 1 616.677 5.383 40 5 KKBBMM O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059886642 554467036 /nfs/dbraw/zinc/46/70/36/554467036.db2.gz YARYMCOYIFAEGH-UHFFFAOYSA-N -1 1 616.677 5.383 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930840 554527297 /nfs/dbraw/zinc/52/72/97/554527297.db2.gz JJFZXDSDHSNMCQ-NSOVKSMOSA-N -1 1 537.620 5.990 40 5 KKBBMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)C(C)=NN(c2ccccc2)C1=O ZINC000100998676 554551491 /nfs/dbraw/zinc/55/14/91/554551491.db2.gz YRGNNBWEALFYLI-USIGKAAMSA-N -1 1 625.645 5.410 40 5 KKBBMM O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102896828 555136797 /nfs/dbraw/zinc/13/67/97/555136797.db2.gz BBUWHNWAKLCWMN-QKDODKLFSA-N -1 1 569.957 5.519 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000104232427 571377592 /nfs/dbraw/zinc/37/75/92/571377592.db2.gz JAJRPBHWGBHNLZ-UHFFFAOYSA-N -1 1 561.598 7.152 40 5 KKBBMM O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197826108 571565173 /nfs/dbraw/zinc/56/51/73/571565173.db2.gz MTRKMBMXBLMWFW-UHFFFAOYSA-N -1 1 634.614 5.248 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C(=O)[O-])n2)c1 ZINC000408631813 572288045 /nfs/dbraw/zinc/28/80/45/572288045.db2.gz GOWOPWPMENYBMW-KSEXSDGBSA-N -1 1 534.550 5.194 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n1 ZINC000408632813 572289302 /nfs/dbraw/zinc/28/93/02/572289302.db2.gz SZKAFBNAMYZZBB-UUYOSTAYSA-N -1 1 538.969 5.839 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)[O-])n1 ZINC000408633133 572289884 /nfs/dbraw/zinc/28/98/84/572289884.db2.gz WFAREVSAMGBRTJ-CIAFOILYSA-N -1 1 541.010 6.411 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)[O-])n2)c1 ZINC000408634320 572291365 /nfs/dbraw/zinc/29/13/65/572291365.db2.gz UIDCJSUNUKPJJG-JAIQZWGSSA-N -1 1 528.930 5.528 40 5 KKBBMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408634759 572291794 /nfs/dbraw/zinc/29/17/94/572291794.db2.gz UBPXCPMSVWLIQG-UCQKPKSFSA-N -1 1 552.996 6.229 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)[O-])n2)c1 ZINC000408635296 572292465 /nfs/dbraw/zinc/29/24/65/572292465.db2.gz ZZAXSDNCAWMXHY-MSXFZWOLSA-N -1 1 564.576 5.203 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423468 1069721878 /nfs/dbraw/zinc/72/18/78/1069721878.db2.gz VZKHXIAVCDNQBO-UHFFFAOYSA-N -1 1 547.571 6.434 40 5 KKBBMM Cc1n[nH]c(SC(=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000409196008 1070615609 /nfs/dbraw/zinc/61/56/09/1070615609.db2.gz SCXHMMVIHBHRGA-FRKPEAEDSA-N -1 1 550.409 5.482 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408927283 1071197704 /nfs/dbraw/zinc/19/77/04/1071197704.db2.gz UWQRJKGTYUEILN-UHFFFAOYSA-N -1 1 689.566 5.309 40 5 KKBBMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000198318114 1071206951 /nfs/dbraw/zinc/20/69/51/1071206951.db2.gz SRMNZOWVWVNLAC-UHFFFAOYSA-N -1 1 694.666 5.266 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408688053 1071426007 /nfs/dbraw/zinc/42/60/07/1071426007.db2.gz VPGNGGWAVCJXPH-JOCHJYFZSA-N -1 1 506.363 5.508 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408993537 1071564774 /nfs/dbraw/zinc/56/47/74/1071564774.db2.gz VZTKFMCNZFYANU-ROUUACIJSA-N -1 1 617.734 7.029 40 5 KKBBMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C ZINC000408993536 1071564905 /nfs/dbraw/zinc/56/49/05/1071564905.db2.gz VZTKFMCNZFYANU-QZTJIDSGSA-N -1 1 617.734 7.029 40 5 KKBBMM O=C(Nc1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408991060 1071583974 /nfs/dbraw/zinc/58/39/74/1071583974.db2.gz MNTKXVFRKZHHCC-UHFFFAOYSA-N -1 1 646.175 8.518 40 5 KKBBMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3[N+](=O)[O-])sc2c1 ZINC000408988794 1071602521 /nfs/dbraw/zinc/60/25/21/1071602521.db2.gz FYVLRLDTJVBFHC-HDICACEKSA-N -1 1 643.772 7.291 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409095831 1072238597 /nfs/dbraw/zinc/23/85/97/1072238597.db2.gz DLSUONLIBDMFLP-JDKSNUEYSA-N -1 1 760.648 5.570 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409100767 1072318580 /nfs/dbraw/zinc/31/85/80/1072318580.db2.gz WQLCAWRXYPXAKZ-UJVJZFQOSA-N -1 1 686.171 5.452 40 5 KKBBMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409102520 1072366665 /nfs/dbraw/zinc/36/66/65/1072366665.db2.gz AUPMUTTWJSIBQU-STEKTNRRSA-N -1 1 671.160 5.391 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373441 1072641882 /nfs/dbraw/zinc/64/18/82/1072641882.db2.gz SUXZHRMIRMXXOL-UHFFFAOYSA-N -1 1 582.016 7.497 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c3ccccc3cc3ccccc32)cc1 ZINC000409370630 1072652505 /nfs/dbraw/zinc/65/25/05/1072652505.db2.gz CJDDVNXGTDXIAY-UHFFFAOYSA-N -1 1 536.635 7.981 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369608 1072657354 /nfs/dbraw/zinc/65/73/54/1072657354.db2.gz RCWAREIFKRRGPJ-UHFFFAOYSA-N -1 1 626.467 7.606 40 5 KKBBMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368408 1072665521 /nfs/dbraw/zinc/66/55/21/1072665521.db2.gz UJBBDBYOKKEOAL-UHFFFAOYSA-N -1 1 743.558 7.775 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178264 1072818388 /nfs/dbraw/zinc/81/83/88/1072818388.db2.gz LSINOKXGLAMHOX-UHFFFAOYSA-N -1 1 645.115 5.200 40 5 KKBBMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409178047 1072818839 /nfs/dbraw/zinc/81/88/39/1072818839.db2.gz KFVOHLVKBDWRJQ-YZSQISJMSA-N -1 1 548.020 6.537 40 5 KKBBMM COC(=O)c1ccc(Oc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2OC)c([N+](=O)[O-])c1 ZINC000409257569 1073251794 /nfs/dbraw/zinc/25/17/94/1073251794.db2.gz TVJQTAOGTWVUFO-UHFFFAOYSA-N -1 1 507.524 5.438 40 5 KKBBMM COc1ccc(C(c2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000103762230 555471649 /nfs/dbraw/zinc/47/16/49/555471649.db2.gz DDXCIAMTDNNUKT-UHFFFAOYSA-N -1 1 556.535 5.091 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000211057337 571576137 /nfs/dbraw/zinc/57/61/37/571576137.db2.gz FQKYKTCJBAUBTI-XHLNEMQHSA-N -1 1 549.608 6.728 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408564443 572250467 /nfs/dbraw/zinc/25/04/67/572250467.db2.gz CYYFNOXASDBSGY-UHFFFAOYSA-N -1 1 510.753 5.064 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)[O-])n1 ZINC000408631212 572287106 /nfs/dbraw/zinc/28/71/06/572287106.db2.gz GFRISVJVORGZJM-FSGOGVSDSA-N -1 1 650.116 8.384 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)[O-])n1 ZINC000408632283 572288565 /nfs/dbraw/zinc/28/85/65/572288565.db2.gz PQPSGIZVMVVVBX-WSDLNYQXSA-N -1 1 555.037 6.719 40 5 KKBBMM O=C([O-])C(=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632374 572288709 /nfs/dbraw/zinc/28/87/09/572288709.db2.gz FCFSOJKYEWQNRH-UDWIEESQSA-N -1 1 545.429 7.056 40 5 KKBBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n1 ZINC000408632526 572288973 /nfs/dbraw/zinc/28/89/73/572288973.db2.gz QXHOGERUAJTQMG-GRSHGNNSSA-N -1 1 533.349 6.173 40 5 KKBBMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408633664 572290520 /nfs/dbraw/zinc/29/05/20/572290520.db2.gz LJVZXDLHOMHIHY-XKZIYDEJSA-N -1 1 538.969 5.839 40 5 KKBBMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408633890 572290697 /nfs/dbraw/zinc/29/06/97/572290697.db2.gz MUVHSVBAXDSDQP-OYKKKHCWSA-N -1 1 546.008 6.563 40 5 KKBBMM O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634376 572291338 /nfs/dbraw/zinc/29/13/38/572291338.db2.gz QJIBFOYDQZCMHW-UDWIEESQSA-N -1 1 545.429 7.056 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000108423161 1069718551 /nfs/dbraw/zinc/71/85/51/1069718551.db2.gz JSVWXBNOMMAEME-UHFFFAOYSA-N -1 1 560.408 5.937 40 5 KKBBMM CCOc1cc([N+](=O)[O-])c(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423449 1069721824 /nfs/dbraw/zinc/72/18/24/1069721824.db2.gz HKSHTOWEUKGHBY-UHFFFAOYSA-N -1 1 555.591 5.582 40 5 KKBBMM O=c1[n-]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2sc3c(c21)CCCCCC3 ZINC000408987534 1070349967 /nfs/dbraw/zinc/34/99/67/1070349967.db2.gz FPIFLTCFHUVSCS-UHFFFAOYSA-N -1 1 500.374 6.654 40 5 KKBBMM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc6sc7c(c6c(=O)[n-]5)CCCCC7)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408987950 1070350969 /nfs/dbraw/zinc/35/09/69/1070350969.db2.gz CCLLENPHVIFHIX-UHFFFAOYSA-N -1 1 639.784 8.563 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409367869 1070891716 /nfs/dbraw/zinc/89/17/16/1070891716.db2.gz MUFDCZDCVZDWGP-UHFFFAOYSA-N -1 1 587.636 7.162 40 5 KKBBMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000409369460 1070893088 /nfs/dbraw/zinc/89/30/88/1070893088.db2.gz OHSIIPYTJSMNRW-UHFFFAOYSA-N -1 1 541.564 5.600 40 5 KKBBMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 ZINC000408921714 1071093891 /nfs/dbraw/zinc/09/38/91/1071093891.db2.gz VWOLHEKTTBMXDO-ZXVVBBHZSA-N -1 1 513.575 5.883 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408920658 1071100127 /nfs/dbraw/zinc/10/01/27/1071100127.db2.gz MAICFGAOZKSCQM-LFVJCYFKSA-N -1 1 601.990 7.247 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408686319 1071349908 /nfs/dbraw/zinc/34/99/08/1071349908.db2.gz ROJJSMFEWQAFMF-JOCHJYFZSA-N -1 1 506.363 5.508 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000408686320 1071350025 /nfs/dbraw/zinc/35/00/25/1071350025.db2.gz ROJJSMFEWQAFMF-QFIPXVFZSA-N -1 1 506.363 5.508 40 5 KKBBMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408688055 1071425934 /nfs/dbraw/zinc/42/59/34/1071425934.db2.gz VPGNGGWAVCJXPH-QFIPXVFZSA-N -1 1 506.363 5.508 40 5 KKBBMM O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000408994226 1071558944 /nfs/dbraw/zinc/55/89/44/1071558944.db2.gz YFZZOJSMSQXTTP-UHFFFAOYSA-N -1 1 542.642 6.735 40 5 KKBBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408737381 1071615354 /nfs/dbraw/zinc/61/53/54/1071615354.db2.gz NMBWZBNULBTCGG-DEOSSOPVSA-N -1 1 603.635 6.443 40 5 KKBBMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409086273 1072168689 /nfs/dbraw/zinc/16/86/89/1072168689.db2.gz GRBWZISNKGJYCA-CUJRCQHQSA-N -1 1 695.779 5.198 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409097935 1072334622 /nfs/dbraw/zinc/33/46/22/1072334622.db2.gz HTXJAYNGZKSIRY-ZDZYTSRMSA-N -1 1 682.180 5.104 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409106032 1072346585 /nfs/dbraw/zinc/34/65/85/1072346585.db2.gz QBMPKKNZNXFIFF-MFISQUFLSA-N -1 1 659.790 5.565 40 5 KKBBMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409105883 1072347753 /nfs/dbraw/zinc/34/77/53/1072347753.db2.gz JOGIRZYDTSBBBH-XLHJEKARSA-N -1 1 696.811 5.129 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409104757 1072353068 /nfs/dbraw/zinc/35/30/68/1072353068.db2.gz HYPDXORKLMWWFZ-KKGHXWGNSA-N -1 1 697.795 5.604 40 5 KKBBMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[n-]3)sc2=N1 ZINC000409121846 1072423951 /nfs/dbraw/zinc/42/39/51/1072423951.db2.gz YFNUEUAQUUJSLM-ZDZYTSRMSA-N -1 1 726.631 5.213 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409371646 1072648266 /nfs/dbraw/zinc/64/82/66/1072648266.db2.gz IZRXEZNCHKECOV-UHFFFAOYSA-N -1 1 515.957 6.237 40 5 KKBBMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409368667 1072664159 /nfs/dbraw/zinc/66/41/59/1072664159.db2.gz GYBJTQFWZYBWFX-UHFFFAOYSA-N -1 1 587.636 7.162 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179848 1072807752 /nfs/dbraw/zinc/80/77/52/1072807752.db2.gz OIKSIFOIPCIOID-UHFFFAOYSA-N -1 1 713.112 6.219 40 5 KKBBMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178492 1072816258 /nfs/dbraw/zinc/81/62/58/1072816258.db2.gz KFHBFSPATNLKGI-UHFFFAOYSA-N -1 1 679.560 5.853 40 5 KKBBMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4C)cc3c2c1 ZINC000005941660 552514109 /nfs/dbraw/zinc/51/41/09/552514109.db2.gz QWQFMBDVRPGCHK-UHFFFAOYSA-N -1 1 596.599 5.621 40 5 KKBBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021305742 553709443 /nfs/dbraw/zinc/70/94/43/553709443.db2.gz DNKCEVVTSHASND-UHFFFAOYSA-N -1 1 500.747 5.608 40 5 KKBBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000033354879 553931852 /nfs/dbraw/zinc/93/18/52/553931852.db2.gz XUWLGTGIHPXLNS-ULJKERAFSA-N -1 1 537.620 5.990 40 5 KKBBMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331508 554388774 /nfs/dbraw/zinc/38/87/74/554388774.db2.gz GJRHBDGAZMVGBS-UHFFFAOYSA-N -1 1 519.608 5.304 40 5 KKBBMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000059883662 554460825 /nfs/dbraw/zinc/46/08/25/554460825.db2.gz VZXAFCVIPVMXLX-XIEYBQDHSA-N -1 1 548.020 6.537 40 5 KKBBMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(=O)n(-c3ccccc3)[n-]c2-c2ccc([N+](=O)[O-])cc2)C(C)=NN(c2ccccc2)C1=O ZINC000100998678 554551529 /nfs/dbraw/zinc/55/15/29/554551529.db2.gz YRGNNBWEALFYLI-WAINPOFTSA-N -1 1 625.645 5.410 40 5 KKBBMM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102742061 555030843 /nfs/dbraw/zinc/03/08/43/555030843.db2.gz IVXWRWYERCRTMU-AWCRTANDSA-N -1 1 549.424 6.807 40 5 KKBBMM O=C(Nc1ccc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[O-])sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000103772934 555475484 /nfs/dbraw/zinc/47/54/84/555475484.db2.gz DDIRZYJHKCJXBN-UHFFFAOYSA-N -1 1 555.528 5.990 40 5 KKBBMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3[O-])oc2c(C)c1 ZINC000105310465 571396119 /nfs/dbraw/zinc/39/61/19/571396119.db2.gz BVEMNTFPTBUYEB-UHFFFAOYSA-N -1 1 528.546 6.112 40 5 KKBBMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3[O-])oc2c(C)c1 ZINC000105310478 571396217 /nfs/dbraw/zinc/39/62/17/571396217.db2.gz LULDSUCPMGVOPW-UHFFFAOYSA-N -1 1 545.621 5.843 40 5 KKBBMM COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106739333 571417043 /nfs/dbraw/zinc/41/70/43/571417043.db2.gz UNKKHANJNCXPMY-QPEQYQDCSA-N -1 1 544.177 5.071 40 5 KKBBMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557176 572244662 /nfs/dbraw/zinc/24/46/62/572244662.db2.gz LVJBKEHEZJWSGK-UHFFFAOYSA-N -1 1 510.355 5.272 40 5 KKBBMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557870 572245372 /nfs/dbraw/zinc/24/53/72/572245372.db2.gz OJBIZHIZXZBZST-UHFFFAOYSA-N -1 1 510.355 5.272 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)[O-])n2)c1 ZINC000408630681 572286488 /nfs/dbraw/zinc/28/64/88/572286488.db2.gz ACCVFXLAQSSSAU-MTJSOVHGSA-N -1 1 508.512 5.183 40 5 KKBBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408635136 572292186 /nfs/dbraw/zinc/29/21/86/572292186.db2.gz ZFHDZGFFRIJIJM-GTWSWNCMSA-N -1 1 645.697 7.740 40 5 KKBBMM