smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000480610300 835163842 /nfs/dbraw/zinc/16/38/42/835163842.db2.gz IHXLMHKZBVRTMD-KRWDZBQOSA-N -1 3 396.440 3.570 20 5 GHBDHM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188392512 835830119 /nfs/dbraw/zinc/83/01/19/835830119.db2.gz CIGKOGCPCBTHFD-UHFFFAOYSA-N -1 3 397.362 3.974 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000414468123 838406671 /nfs/dbraw/zinc/40/66/71/838406671.db2.gz XVMRQGSPDWLLRI-UHFFFAOYSA-N -1 3 399.447 3.902 20 5 GHBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000159096772 838575643 /nfs/dbraw/zinc/57/56/43/838575643.db2.gz JXUJZSHKRFWKIV-UHFFFAOYSA-N -1 3 385.243 3.759 20 5 GHBDHM CSc1nc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[n-]1 ZINC000487342917 840632990 /nfs/dbraw/zinc/63/29/90/840632990.db2.gz ZDHQPBQLCKIUMH-UHFFFAOYSA-N -1 3 387.446 3.838 20 5 GHBDHM CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1[N-]C(=O)c1cocn1 ZINC000105364252 843586529 /nfs/dbraw/zinc/58/65/29/843586529.db2.gz OKEJVFHCGHACJR-UHFFFAOYSA-N -1 3 387.373 3.740 20 5 GHBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000176740323 848191338 /nfs/dbraw/zinc/19/13/38/848191338.db2.gz LWTYDRZXJKQKNK-UHFFFAOYSA-N -1 3 389.886 3.535 20 5 GHBDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162772361 862123953 /nfs/dbraw/zinc/12/39/53/862123953.db2.gz IQACNVLSFCSEJE-SECBINFHSA-N -1 3 394.396 3.585 20 5 GHBDHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000490364344 852963455 /nfs/dbraw/zinc/96/34/55/852963455.db2.gz JJZRQSBJPCXRAL-UHFFFAOYSA-N -1 3 390.359 3.596 20 5 GHBDHM Cc1ccsc1-c1nsc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000156671547 853982355 /nfs/dbraw/zinc/98/23/55/853982355.db2.gz WEHVSTLLCYBMFR-UHFFFAOYSA-N -1 3 386.418 3.612 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000553421955 855015363 /nfs/dbraw/zinc/01/53/63/855015363.db2.gz NCQAKYAGBDUGQN-UHFFFAOYSA-N -1 3 377.335 3.925 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485939926 857231613 /nfs/dbraw/zinc/23/16/13/857231613.db2.gz YQQGHKNSSHANJW-ZDUSSCGKSA-N -1 3 388.367 3.528 20 5 GHBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)s2)c1 ZINC000115458398 858536165 /nfs/dbraw/zinc/53/61/65/858536165.db2.gz UHNLBFCUUFWAKM-UHFFFAOYSA-N -1 3 394.416 3.859 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC001212126718 859257584 /nfs/dbraw/zinc/25/75/84/859257584.db2.gz QXQDYTZKJAJHIG-ZDUSSCGKSA-N -1 3 391.287 3.604 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444251759 863759965 /nfs/dbraw/zinc/75/99/65/863759965.db2.gz MJWWRBITYDFPBM-UHFFFAOYSA-N -1 3 398.340 3.734 20 5 GHBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480064871 863939337 /nfs/dbraw/zinc/93/93/37/863939337.db2.gz FBFVAHYPTLXLBP-UKRRQHHQSA-N -1 3 390.889 3.510 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000554338776 864162028 /nfs/dbraw/zinc/16/20/28/864162028.db2.gz YBIWIPRJLKRFDX-UHFFFAOYSA-N -1 3 397.460 3.946 20 5 GHBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000735326378 864727165 /nfs/dbraw/zinc/72/71/65/864727165.db2.gz HNPQXOSJTXFVPA-UHFFFAOYSA-N -1 3 396.315 3.648 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c(Cl)c1 ZINC000063764423 865289859 /nfs/dbraw/zinc/28/98/59/865289859.db2.gz DAWNAUKQZIQSRT-UHFFFAOYSA-N -1 3 376.821 3.880 20 5 GHBDHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183334735 866610089 /nfs/dbraw/zinc/61/00/89/866610089.db2.gz HJGQGQCYVRKOCQ-VIFPVBQESA-N -1 3 397.200 3.622 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479126570 867189291 /nfs/dbraw/zinc/18/92/91/867189291.db2.gz CBKOHHBZRFEFMG-CQSZACIVSA-N -1 3 392.330 3.624 20 5 GHBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000440723217 868262248 /nfs/dbraw/zinc/26/22/48/868262248.db2.gz GUIRQDGLKCFZTI-UHFFFAOYSA-N -1 3 379.347 3.704 20 5 GHBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[n-]1 ZINC000618919749 872158676 /nfs/dbraw/zinc/15/86/76/872158676.db2.gz PHTWLIZTOHVFRG-UHFFFAOYSA-N -1 3 396.359 3.539 20 5 GHBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c[n-]1 ZINC000618919749 872158686 /nfs/dbraw/zinc/15/86/86/872158686.db2.gz PHTWLIZTOHVFRG-UHFFFAOYSA-N -1 3 396.359 3.539 20 5 GHBDHM COc1ccccc1CSc1ccccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000128128119 872217108 /nfs/dbraw/zinc/21/71/08/872217108.db2.gz ZWBAWNHHSDYYKS-UHFFFAOYSA-N -1 3 398.444 3.882 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccncc1 ZINC000786977511 877083053 /nfs/dbraw/zinc/08/30/53/877083053.db2.gz DCNXWRNFOBFYID-LBPRGKRZSA-N -1 3 390.248 3.726 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000609917370 877184266 /nfs/dbraw/zinc/18/42/66/877184266.db2.gz PHTHXDNAMAXPEV-HNNXBMFYSA-N -1 3 380.853 3.548 20 5 GHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1C ZINC000461185428 879337256 /nfs/dbraw/zinc/33/72/56/879337256.db2.gz KKVVOJKACFDJNL-UHFFFAOYSA-N -1 3 386.433 3.507 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c(Cl)c1 ZINC000609465556 883227773 /nfs/dbraw/zinc/22/77/73/883227773.db2.gz CXPLPMNFMJBWSE-UHFFFAOYSA-N -1 3 398.893 3.851 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 ZINC000609543519 883336025 /nfs/dbraw/zinc/33/60/25/883336025.db2.gz QUYZWBGUHAVZAR-GOEBONIOSA-N -1 3 380.853 3.863 20 5 GHBDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000475834636 884835489 /nfs/dbraw/zinc/83/54/89/884835489.db2.gz HYHNFVJXBPSGIZ-UHFFFAOYSA-N -1 3 382.825 3.950 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)ccc1[N+](=O)[O-] ZINC001132220821 888445028 /nfs/dbraw/zinc/44/50/28/888445028.db2.gz VAXLGWWHFFLQGJ-UHFFFAOYSA-N -1 3 392.343 3.652 20 5 GHBDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001184524140 913257928 /nfs/dbraw/zinc/25/79/28/913257928.db2.gz NWJGMTRDQVYXRR-UHFFFAOYSA-N -1 3 393.303 3.850 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 ZINC000064343040 891227159 /nfs/dbraw/zinc/22/71/59/891227159.db2.gz ZCECVHYBJDZCCE-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=c1[n-]ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1[N+](=O)[O-] ZINC001185046179 913621251 /nfs/dbraw/zinc/62/12/51/913621251.db2.gz HYTDPZVWEBSHOO-UHFFFAOYSA-N -1 3 379.298 3.512 20 5 GHBDHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000566229215 896190995 /nfs/dbraw/zinc/19/09/95/896190995.db2.gz LEXXXFFXALIAFK-UHFFFAOYSA-N -1 3 377.466 3.641 20 5 GHBDHM COc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826208180 896279994 /nfs/dbraw/zinc/27/99/94/896279994.db2.gz XFKJFHAFFVTQHJ-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826208180 896280010 /nfs/dbraw/zinc/28/00/10/896280010.db2.gz XFKJFHAFFVTQHJ-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM C[C@@H](c1ccccc1)n1ccc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC001185757158 914066322 /nfs/dbraw/zinc/06/63/22/914066322.db2.gz XLNXJWYROGFILV-JTQLQIEISA-N -1 3 380.330 3.897 20 5 GHBDHM CCc1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821477123 897916793 /nfs/dbraw/zinc/91/67/93/897916793.db2.gz ZGCXVUXTJMXCDY-CYBMUJFWSA-N -1 3 394.435 3.561 20 5 GHBDHM CCc1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821477123 897916801 /nfs/dbraw/zinc/91/68/01/897916801.db2.gz ZGCXVUXTJMXCDY-CYBMUJFWSA-N -1 3 394.435 3.561 20 5 GHBDHM CSc1cc2c(cc1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl)OCCO2 ZINC001136496454 898082100 /nfs/dbraw/zinc/08/21/00/898082100.db2.gz FKRHPWFSGZZHDD-UHFFFAOYSA-N -1 3 380.809 3.994 20 5 GHBDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823944186 899325504 /nfs/dbraw/zinc/32/55/04/899325504.db2.gz ZQCHQKYEFCEXNB-XFFZJAGNSA-N -1 3 398.810 3.779 20 5 GHBDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823944186 899325514 /nfs/dbraw/zinc/32/55/14/899325514.db2.gz ZQCHQKYEFCEXNB-XFFZJAGNSA-N -1 3 398.810 3.779 20 5 GHBDHM CCCCC[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825268219 900060260 /nfs/dbraw/zinc/06/02/60/900060260.db2.gz SDVPPMFRSFAAAL-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825268219 900060270 /nfs/dbraw/zinc/06/02/70/900060270.db2.gz SDVPPMFRSFAAAL-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cc(F)ccc3Cl)no2)c1Br ZINC001212837352 903525133 /nfs/dbraw/zinc/52/51/33/903525133.db2.gz HFZIBJDBRASZCZ-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cc(F)ccc3Cl)no2)c1Br ZINC001212837352 903525138 /nfs/dbraw/zinc/52/51/38/903525138.db2.gz HFZIBJDBRASZCZ-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)c1 ZINC000779893536 909064123 /nfs/dbraw/zinc/06/41/23/909064123.db2.gz SZCKYVGRLHUQCT-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000270636883 910638266 /nfs/dbraw/zinc/63/82/66/910638266.db2.gz IWZMQGUSXGHPOM-UHFFFAOYSA-N -1 3 396.494 3.780 20 5 GHBDHM CCCNC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Cl ZINC000283790298 911648026 /nfs/dbraw/zinc/64/80/26/911648026.db2.gz FQRDOHXWJCAJKM-UHFFFAOYSA-N -1 3 393.827 3.714 20 5 GHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1F ZINC001274715137 911681989 /nfs/dbraw/zinc/68/19/89/911681989.db2.gz WVDKOQNSGBQRAG-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001187209980 915120107 /nfs/dbraw/zinc/12/01/07/915120107.db2.gz RUHBXMBNLASIHY-ZBFHGGJFSA-N -1 3 394.880 3.938 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001189507597 916689485 /nfs/dbraw/zinc/68/94/85/916689485.db2.gz JRWGDVIAJCMBCD-KRWDZBQOSA-N -1 3 378.425 3.823 20 5 GHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)cc1SC ZINC000748355461 923589446 /nfs/dbraw/zinc/58/94/46/923589446.db2.gz QMJWMRPBDFQDMI-UHFFFAOYSA-N -1 3 377.300 3.584 20 5 GHBDHM CCOc1cc(CO[N-]C(=O)Cc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000757718043 929782268 /nfs/dbraw/zinc/78/22/68/929782268.db2.gz MZHHCOHXFTWQFF-UHFFFAOYSA-N -1 3 380.400 3.937 20 5 GHBDHM COC[C@@](C)(NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000559987219 933001037 /nfs/dbraw/zinc/00/10/37/933001037.db2.gz XVPTYMXQUMEGNN-GOSISDBHSA-N -1 3 394.811 3.620 20 5 GHBDHM Cc1cc(NCc2c(F)cccc2[N-]S(C)(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC001116248702 933434239 /nfs/dbraw/zinc/43/42/39/933434239.db2.gz CUGBUARINQANSI-UHFFFAOYSA-N -1 3 387.820 3.679 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1C ZINC001116685287 933703646 /nfs/dbraw/zinc/70/36/46/933703646.db2.gz ALWHGKIJCGIEBK-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM C[C@H](C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001573756415 948816189 /nfs/dbraw/zinc/81/61/89/948816189.db2.gz QVYDGBNPDFTLFO-LBPRGKRZSA-N -1 3 388.387 3.670 20 5 GHBDHM C[C@H](C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001573756415 948816210 /nfs/dbraw/zinc/81/62/10/948816210.db2.gz QVYDGBNPDFTLFO-LBPRGKRZSA-N -1 3 388.387 3.670 20 5 GHBDHM C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589129836 956190297 /nfs/dbraw/zinc/19/02/97/956190297.db2.gz ZSBBVZPKKPOBIX-ADEWGFFLSA-N -1 3 385.258 3.582 20 5 GHBDHM C[C@@](NCc1cccc(OC(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305101 994758861 /nfs/dbraw/zinc/75/88/61/994758861.db2.gz VSAXUGTXGVFMEB-INIZCTEOSA-N -1 3 384.310 3.583 20 5 GHBDHM COc1cc(O[C@@H](C)C2CCOCC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647206 1032500490 /nfs/dbraw/zinc/50/04/90/1032500490.db2.gz WRSDWGXSCGKPIG-NSHDSACASA-N -1 3 386.400 3.560 20 5 GHBDHM COc1cc(O[C@@H](C)c2cn(C)nc2C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647452 1032500772 /nfs/dbraw/zinc/50/07/72/1032500772.db2.gz YRCMMMVARLUNOS-NSHDSACASA-N -1 3 396.399 3.548 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741288 1032538226 /nfs/dbraw/zinc/53/82/26/1032538226.db2.gz KWVUXOJBZPKXBQ-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741288 1032538234 /nfs/dbraw/zinc/53/82/34/1032538234.db2.gz KWVUXOJBZPKXBQ-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227746340 1032540260 /nfs/dbraw/zinc/54/02/60/1032540260.db2.gz RPUBCFAOPZTFGW-CYBMUJFWSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227746340 1032540266 /nfs/dbraw/zinc/54/02/66/1032540266.db2.gz RPUBCFAOPZTFGW-CYBMUJFWSA-N -1 3 388.424 3.640 20 5 GHBDHM O=C([N-][C@@H]1CCOc2c(Cl)cccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777957193 1017926739 /nfs/dbraw/zinc/92/67/39/1017926739.db2.gz SGFWRFSWJJCCQW-CQSZACIVSA-N -1 3 382.750 3.980 20 5 GHBDHM COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCCCC1 ZINC000565293202 1019175946 /nfs/dbraw/zinc/17/59/46/1019175946.db2.gz XDBKWULEKMWSQZ-LJQANCHMSA-N -1 3 399.447 3.941 20 5 GHBDHM CCOC(=O)[C@@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)c2ccccc2O1 ZINC001228676382 1033038449 /nfs/dbraw/zinc/03/84/49/1033038449.db2.gz DQXSIHQFEATKQY-MSOLQXFVSA-N -1 3 397.387 3.614 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@H]2C)c([N+](=O)[O-])s1 ZINC001210419153 1027500586 /nfs/dbraw/zinc/50/05/86/1027500586.db2.gz CDXJSUCDGHOVAG-RFAUZJTJSA-N -1 3 384.454 3.706 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001213945186 1028464605 /nfs/dbraw/zinc/46/46/05/1028464605.db2.gz RMZGHIZIRNWZCU-HUUCEWRRSA-N -1 3 394.880 3.795 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001209280133 1035229445 /nfs/dbraw/zinc/22/94/45/1035229445.db2.gz WHQARDJGRNFSON-UHFFFAOYSA-N -1 3 384.504 3.568 20 5 GHBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001277747721 1038769168 /nfs/dbraw/zinc/76/91/68/1038769168.db2.gz VEVNPTBSDPKDSH-UHFFFAOYSA-N -1 3 378.266 3.916 20 5 GHBDHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001292419894 1043725701 /nfs/dbraw/zinc/72/57/01/1043725701.db2.gz OJOWGJUBBTVAOH-UHFFFAOYSA-N -1 3 395.419 3.739 20 5 GHBDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293643 1043959145 /nfs/dbraw/zinc/95/91/45/1043959145.db2.gz CVSUHLKZMGIQJA-VHSXEESVSA-N -1 3 379.298 3.966 20 5 GHBDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293643 1043959151 /nfs/dbraw/zinc/95/91/51/1043959151.db2.gz CVSUHLKZMGIQJA-VHSXEESVSA-N -1 3 379.298 3.966 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307154063 1043961010 /nfs/dbraw/zinc/96/10/10/1043961010.db2.gz UGFCIDUXCURSML-VHSXEESVSA-N -1 3 398.341 3.789 20 5 GHBDHM O=S(=O)(CCc1ccc(F)cc1)[N-]c1cc2cccnc2c2ncccc12 ZINC001259761251 1045291317 /nfs/dbraw/zinc/29/13/17/1045291317.db2.gz SRQMVWBUXPNOTR-UHFFFAOYSA-N -1 3 381.432 3.907 20 5 GHBDHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001463169208 1070873522 /nfs/dbraw/zinc/87/35/22/1070873522.db2.gz XTGRMLYRJAQZHF-UHFFFAOYSA-N -1 3 380.388 3.861 20 5 GHBDHM O=C([N-]OCCOc1ccccc1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001305278249 1047962528 /nfs/dbraw/zinc/96/25/28/1047962528.db2.gz JZAUUXZTWPASGU-UHFFFAOYSA-N -1 3 389.166 3.781 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])s1 ZINC001309004912 1050264473 /nfs/dbraw/zinc/26/44/73/1050264473.db2.gz MJIDHLSPULZDBS-UHFFFAOYSA-N -1 3 395.289 3.793 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001309082955 1050333039 /nfs/dbraw/zinc/33/30/39/1050333039.db2.gz BEWMFAWAVPHZJU-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c(F)cc1[N+](=O)[O-] ZINC001309404821 1050686574 /nfs/dbraw/zinc/68/65/74/1050686574.db2.gz CNAUDEPUBUJXGC-NSHDSACASA-N -1 3 378.381 3.828 20 5 GHBDHM O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001317741746 1054242916 /nfs/dbraw/zinc/24/29/16/1054242916.db2.gz CTJDMTVJFYZGDN-UHFFFAOYSA-N -1 3 381.373 3.553 20 5 GHBDHM CC(C)(C)OC(=O)Nc1cccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001458729030 1063927680 /nfs/dbraw/zinc/92/76/80/1063927680.db2.gz NSXNXBGDEZARTD-UHFFFAOYSA-N -1 3 386.408 3.605 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001350612271 1064141717 /nfs/dbraw/zinc/14/17/17/1064141717.db2.gz LBXKZMLMMCJCJU-OLZOCXBDSA-N -1 3 398.337 3.940 20 5 GHBDHM CCOc1cc([N-]C(=O)c2coc3c2C(=O)CCC3)c([N+](=O)[O-])cc1OCC ZINC001351606848 1064531356 /nfs/dbraw/zinc/53/13/56/1064531356.db2.gz UYVWYYOSAFPYRH-UHFFFAOYSA-N -1 3 388.376 3.757 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001463768538 1064600495 /nfs/dbraw/zinc/60/04/95/1064600495.db2.gz OLFVBRRHOSTVMD-HZPDHXFCSA-N -1 3 392.452 3.905 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1C ZINC001464306668 1064949453 /nfs/dbraw/zinc/94/94/53/1064949453.db2.gz INQOKXPIUQTDRW-QWHCGFSZSA-N -1 3 392.399 3.635 20 5 GHBDHM CCOc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Cl)c1[O-] ZINC001474410064 1074393901 /nfs/dbraw/zinc/39/39/01/1074393901.db2.gz KYYCZMCEEOGXEN-UHFFFAOYSA-N -1 3 391.855 3.675 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCC2)c(F)c1 ZINC001474921414 1074633012 /nfs/dbraw/zinc/63/30/12/1074633012.db2.gz MLZICCWSWWDXSG-UHFFFAOYSA-N -1 3 398.843 3.788 20 5 GHBDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001475100225 1074736683 /nfs/dbraw/zinc/73/66/83/1074736683.db2.gz UDENYEMVLMUFLF-MRXNPFEDSA-N -1 3 384.404 3.939 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233980 599108566 /nfs/dbraw/zinc/10/85/66/599108566.db2.gz ZDIQAIKCXVACBW-BEFAXECRSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233980 599108568 /nfs/dbraw/zinc/10/85/68/599108568.db2.gz ZDIQAIKCXVACBW-BEFAXECRSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822107719 607294439 /nfs/dbraw/zinc/29/44/39/607294439.db2.gz CFBINLQPLSWMPU-UHFFFAOYSA-N -1 3 380.408 3.633 20 5 GHBDHM Cc1c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822107719 607294440 /nfs/dbraw/zinc/29/44/40/607294440.db2.gz CFBINLQPLSWMPU-UHFFFAOYSA-N -1 3 380.408 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738371924 598299704 /nfs/dbraw/zinc/29/97/04/598299704.db2.gz ZBKQKPDESAABLM-UHFFFAOYSA-N -1 3 384.399 3.962 20 5 GHBDHM O=[N+]([O-])c1ccc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738371924 598299706 /nfs/dbraw/zinc/29/97/06/598299706.db2.gz ZBKQKPDESAABLM-UHFFFAOYSA-N -1 3 384.399 3.962 20 5 GHBDHM Cc1c(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000737220371 598317564 /nfs/dbraw/zinc/31/75/64/598317564.db2.gz VRCYXMQCLYDXAM-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM Cc1c(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000737220371 598317566 /nfs/dbraw/zinc/31/75/66/598317566.db2.gz VRCYXMQCLYDXAM-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM O=[N+]([O-])c1cccnc1Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738369290 598557892 /nfs/dbraw/zinc/55/78/92/598557892.db2.gz KJZRYWYSSUGBAF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cccnc1Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738369290 598557893 /nfs/dbraw/zinc/55/78/93/598557893.db2.gz KJZRYWYSSUGBAF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)o1 ZINC000736237752 598814163 /nfs/dbraw/zinc/81/41/63/598814163.db2.gz PNCPADHXDOPOBY-IAQYHMDHSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)o1 ZINC000736237752 598814165 /nfs/dbraw/zinc/81/41/65/598814165.db2.gz PNCPADHXDOPOBY-IAQYHMDHSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678893 599484608 /nfs/dbraw/zinc/48/46/08/599484608.db2.gz ZYDNKTJRXACHOE-ZWNOBZJWSA-N -1 3 391.391 3.652 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678893 599484609 /nfs/dbraw/zinc/48/46/09/599484609.db2.gz ZYDNKTJRXACHOE-ZWNOBZJWSA-N -1 3 391.391 3.652 20 5 GHBDHM CC(C)[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820038762 599559565 /nfs/dbraw/zinc/55/95/65/599559565.db2.gz REWUQWUZEKOLAT-ZDUSSCGKSA-N -1 3 381.440 3.586 20 5 GHBDHM CC(C)[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820038762 599559567 /nfs/dbraw/zinc/55/95/67/599559567.db2.gz REWUQWUZEKOLAT-ZDUSSCGKSA-N -1 3 381.440 3.586 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823646063 607459669 /nfs/dbraw/zinc/45/96/69/607459669.db2.gz ZLTPNCGOTJOAIC-VZUCSPMQSA-N -1 3 385.746 3.527 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823646063 607459671 /nfs/dbraw/zinc/45/96/71/607459671.db2.gz ZLTPNCGOTJOAIC-VZUCSPMQSA-N -1 3 385.746 3.527 20 5 GHBDHM CCc1sc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1C ZINC000825782749 607522870 /nfs/dbraw/zinc/52/28/70/607522870.db2.gz NUEZLOPGBTWYDI-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1sc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1C ZINC000825782749 607522872 /nfs/dbraw/zinc/52/28/72/607522872.db2.gz NUEZLOPGBTWYDI-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1Br ZINC000822211840 607043722 /nfs/dbraw/zinc/04/37/22/607043722.db2.gz QALWILDRULGLEY-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1Br ZINC000822211840 607043723 /nfs/dbraw/zinc/04/37/23/607043723.db2.gz QALWILDRULGLEY-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccccc3-c3nnn[n-]3)co2)cc1 ZINC000826498081 608016563 /nfs/dbraw/zinc/01/65/63/608016563.db2.gz HIKSKUQFFURDIT-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccccc3-c3nn[n-]n3)co2)cc1 ZINC000826498081 608016564 /nfs/dbraw/zinc/01/65/64/608016564.db2.gz HIKSKUQFFURDIT-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286297 608161863 /nfs/dbraw/zinc/16/18/63/608161863.db2.gz XPDPXBBPKUUDLH-NSCUHMNNSA-N -1 3 398.810 3.779 20 5 GHBDHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286297 608161865 /nfs/dbraw/zinc/16/18/65/608161865.db2.gz XPDPXBBPKUUDLH-NSCUHMNNSA-N -1 3 398.810 3.779 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824385531 608163036 /nfs/dbraw/zinc/16/30/36/608163036.db2.gz WGKMBQNYHQPZQH-SNVBAGLBSA-N -1 3 392.847 3.973 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824385531 608163038 /nfs/dbraw/zinc/16/30/38/608163038.db2.gz WGKMBQNYHQPZQH-SNVBAGLBSA-N -1 3 392.847 3.973 20 5 GHBDHM Cc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826296914 608231083 /nfs/dbraw/zinc/23/10/83/608231083.db2.gz OHGJATQWAWJTSX-LJQANCHMSA-N -1 3 387.403 3.680 20 5 GHBDHM Cc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826296914 608231084 /nfs/dbraw/zinc/23/10/84/608231084.db2.gz OHGJATQWAWJTSX-LJQANCHMSA-N -1 3 387.403 3.680 20 5 GHBDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824065189 608311631 /nfs/dbraw/zinc/31/16/31/608311631.db2.gz VSIVEPCLNGRWSO-UHFFFAOYSA-N -1 3 392.847 3.973 20 5 GHBDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824065189 608311633 /nfs/dbraw/zinc/31/16/33/608311633.db2.gz VSIVEPCLNGRWSO-UHFFFAOYSA-N -1 3 392.847 3.973 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499776 608881423 /nfs/dbraw/zinc/88/14/23/608881423.db2.gz WZJNTCMYBSMBQQ-WDZFZDKYSA-N -1 3 386.730 3.792 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499776 608881424 /nfs/dbraw/zinc/88/14/24/608881424.db2.gz WZJNTCMYBSMBQQ-WDZFZDKYSA-N -1 3 386.730 3.792 20 5 GHBDHM CC[C@@H](C)CCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825059848 609509623 /nfs/dbraw/zinc/50/96/23/609509623.db2.gz LFRJYWXKONAJIK-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CC[C@@H](C)CCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825059848 609509624 /nfs/dbraw/zinc/50/96/24/609509624.db2.gz LFRJYWXKONAJIK-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119368152 841440565 /nfs/dbraw/zinc/44/05/65/841440565.db2.gz IVJRKWZENHLMOW-CYBMUJFWSA-N -1 3 387.845 3.591 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000549556348 841970260 /nfs/dbraw/zinc/97/02/60/841970260.db2.gz XGYPXJYVXXGIJB-UHFFFAOYSA-N -1 3 386.448 3.751 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c(F)cc1F ZINC000031029292 842080834 /nfs/dbraw/zinc/08/08/34/842080834.db2.gz OYEARYNMLFJPBE-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957187 861487149 /nfs/dbraw/zinc/48/71/49/861487149.db2.gz PNCPQEXCLZGNIE-LLVKDONJSA-N -1 3 378.381 3.828 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000512615352 844749778 /nfs/dbraw/zinc/74/97/78/844749778.db2.gz WTNQTSAUGBTXTB-AWEZNQCLSA-N -1 3 399.447 3.936 20 5 GHBDHM COc1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000472008869 845358724 /nfs/dbraw/zinc/35/87/24/845358724.db2.gz RHQBFLFBCVWFLA-UHFFFAOYSA-N -1 3 383.360 3.828 20 5 GHBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001211546458 847332865 /nfs/dbraw/zinc/33/28/65/847332865.db2.gz JLHXERHWKVNDOL-PWSUYJOCSA-N -1 3 380.388 3.861 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nccs1 ZINC000176721993 847947772 /nfs/dbraw/zinc/94/77/72/847947772.db2.gz BCTIQQAOUWTTSD-CQSZACIVSA-N -1 3 389.886 3.617 20 5 GHBDHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000515809831 851502851 /nfs/dbraw/zinc/50/28/51/851502851.db2.gz VRALULFNYSPBKT-UHFFFAOYSA-N -1 3 376.166 3.797 20 5 GHBDHM CC(C)C1CCC(N2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000570969918 853668936 /nfs/dbraw/zinc/66/89/36/853668936.db2.gz LLBVLNYVULVMLL-UHFFFAOYSA-N -1 3 375.469 3.630 20 5 GHBDHM O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000522181156 858741871 /nfs/dbraw/zinc/74/18/71/858741871.db2.gz YNGZGORTLORHRX-UHFFFAOYSA-N -1 3 379.351 3.781 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1 ZINC000007186615 859636569 /nfs/dbraw/zinc/63/65/69/859636569.db2.gz XRHVFNANKVRXLN-UHFFFAOYSA-N -1 3 385.401 3.891 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000523164496 866816481 /nfs/dbraw/zinc/81/64/81/866816481.db2.gz QDWSITYNYQJSKC-NWDGAFQWSA-N -1 3 382.342 3.714 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000742303344 867186479 /nfs/dbraw/zinc/18/64/79/867186479.db2.gz AKAVXDJZOYJVKN-JTQLQIEISA-N -1 3 391.287 3.604 20 5 GHBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742306408 867189829 /nfs/dbraw/zinc/18/98/29/867189829.db2.gz DYWJVZKDLYNAHQ-UHFFFAOYSA-N -1 3 379.276 3.604 20 5 GHBDHM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444988806 867582961 /nfs/dbraw/zinc/58/29/61/867582961.db2.gz QPXUGTWAUZGMTR-UHFFFAOYSA-N -1 3 389.371 3.501 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000744218205 868674376 /nfs/dbraw/zinc/67/43/76/868674376.db2.gz KUDRZBGELRIAHV-UHFFFAOYSA-N -1 3 385.763 3.938 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c(C(F)(F)F)c1 ZINC000446958487 870771286 /nfs/dbraw/zinc/77/12/86/870771286.db2.gz FDSZTPMXJCYTHX-CQSZACIVSA-N -1 3 386.351 3.579 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001194107071 871478937 /nfs/dbraw/zinc/47/89/37/871478937.db2.gz ASUCKHHSXMONDT-SNVBAGLBSA-N -1 3 382.816 3.660 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Br)nc(Br)c2)c1 ZINC001199802799 875194623 /nfs/dbraw/zinc/19/46/23/875194623.db2.gz YPYUCJPVTGKMON-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM COc1ccc(I)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222527 875585666 /nfs/dbraw/zinc/58/56/66/875585666.db2.gz ODFUXVGDKLHASF-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000610086461 877382356 /nfs/dbraw/zinc/38/23/56/877382356.db2.gz XIEATWRHLCMAKO-UHFFFAOYSA-N -1 3 396.852 3.516 20 5 GHBDHM COc1ccccc1-c1cc(=NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH][n-]1 ZINC000615302788 877611272 /nfs/dbraw/zinc/61/12/72/877611272.db2.gz NOINYQGOXSWNIE-UHFFFAOYSA-N -1 3 380.404 3.791 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3[C@H](C)C[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000530379599 877677670 /nfs/dbraw/zinc/67/76/70/877677670.db2.gz KTLWMVMQWXFBEV-HUUCEWRRSA-N -1 3 389.477 4.000 20 5 GHBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790837353 880034908 /nfs/dbraw/zinc/03/49/08/880034908.db2.gz YYHWCVTYKHTSFF-LLVKDONJSA-N -1 3 399.450 3.529 20 5 GHBDHM CCOC(=O)/C(=C/c1cc(Cl)c([O-])c(OCC)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791429247 880430146 /nfs/dbraw/zinc/43/01/46/880430146.db2.gz ZXRSLFMGNBZHPC-NTUHNPAUSA-N -1 3 392.795 3.851 20 5 GHBDHM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2F)nc2c1cnn2-c1ccccc1 ZINC000476473283 885965459 /nfs/dbraw/zinc/96/54/59/885965459.db2.gz WCLCEAGPUHJSGE-UHFFFAOYSA-N -1 3 397.391 3.861 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000808328838 886260664 /nfs/dbraw/zinc/26/06/64/886260664.db2.gz WKXHAVBYVXOQMI-SNVBAGLBSA-N -1 3 380.422 3.988 20 5 GHBDHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC000153665997 887240671 /nfs/dbraw/zinc/24/06/71/887240671.db2.gz XFXBUHQRGYRCJI-UHFFFAOYSA-N -1 3 380.198 3.693 20 5 GHBDHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270882 896838365 /nfs/dbraw/zinc/83/83/65/896838365.db2.gz SELMCRJTSQFJKG-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270882 896838374 /nfs/dbraw/zinc/83/83/74/896838374.db2.gz SELMCRJTSQFJKG-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc(F)cc3Cl)no2)c1Br ZINC001212837311 903523687 /nfs/dbraw/zinc/52/36/87/903523687.db2.gz FKZUJBNVWMCYOO-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc(F)cc3Cl)no2)c1Br ZINC001212837311 903523699 /nfs/dbraw/zinc/52/36/99/903523699.db2.gz FKZUJBNVWMCYOO-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1c(Cl)cccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837504 903531954 /nfs/dbraw/zinc/53/19/54/903531954.db2.gz OLKSYLCNOFVVQQ-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1c(Cl)cccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837504 903531960 /nfs/dbraw/zinc/53/19/60/903531960.db2.gz OLKSYLCNOFVVQQ-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cccc([N+](=O)[O-])c1Br ZINC000190655997 908513773 /nfs/dbraw/zinc/51/37/73/908513773.db2.gz VIEXSRFPTASOMX-UHFFFAOYSA-N -1 3 394.229 3.706 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1ccccn1 ZINC000779891719 909064216 /nfs/dbraw/zinc/06/42/16/909064216.db2.gz NUFOSFJGCHGBNN-ZDUSSCGKSA-N -1 3 383.857 3.771 20 5 GHBDHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177427 909415094 /nfs/dbraw/zinc/41/50/94/909415094.db2.gz VVPNRGMQURALTA-MRVPVSSYSA-N -1 3 385.346 3.520 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cl)c2Br)no1 ZINC001212937110 911787384 /nfs/dbraw/zinc/78/73/84/911787384.db2.gz OKBTZZCADDOTSM-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc4cnccc43)no2)[n-]nc1C(F)(F)F ZINC001212972728 916162330 /nfs/dbraw/zinc/16/23/30/916162330.db2.gz HDYGXHVYDJEGGA-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM CCCOc1cc(NC([O-])=NO[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCCC ZINC000775467315 918095052 /nfs/dbraw/zinc/09/50/52/918095052.db2.gz DZRHPSDZEPRAKZ-KRWDZBQOSA-N -1 3 397.428 3.752 20 5 GHBDHM CCCOc1cc(NC(=O)[N-]O[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCCC ZINC000775467315 918095065 /nfs/dbraw/zinc/09/50/65/918095065.db2.gz DZRHPSDZEPRAKZ-KRWDZBQOSA-N -1 3 397.428 3.752 20 5 GHBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(Br)c1[O-] ZINC000751661092 928308591 /nfs/dbraw/zinc/30/85/91/928308591.db2.gz XJWWAJNJFZFISC-UHFFFAOYSA-N -1 3 393.149 3.561 20 5 GHBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001116501368 933595464 /nfs/dbraw/zinc/59/54/64/933595464.db2.gz XDKYWOJSHKUPQE-UHFFFAOYSA-N -1 3 393.371 3.773 20 5 GHBDHM CC(C)(C)c1ccc(OCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001573881828 950754482 /nfs/dbraw/zinc/75/44/82/950754482.db2.gz ICCMFMLXHQFVJN-UHFFFAOYSA-N -1 3 382.424 3.563 20 5 GHBDHM CC(C)(C)c1ccc(OCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001573881828 950754497 /nfs/dbraw/zinc/75/44/97/950754497.db2.gz ICCMFMLXHQFVJN-UHFFFAOYSA-N -1 3 382.424 3.563 20 5 GHBDHM Cc1cccc([C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001574394825 961201089 /nfs/dbraw/zinc/20/10/89/961201089.db2.gz FNCPTYOQFHCFRB-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267378 999036983 /nfs/dbraw/zinc/03/69/83/999036983.db2.gz XGUREBFJCLTFHN-CJNGLKHVSA-N -1 3 388.395 3.575 20 5 GHBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccc(F)c(Br)c1 ZINC001227689727 1032517814 /nfs/dbraw/zinc/51/78/14/1032517814.db2.gz COPSSVXKQBDYDR-SSDOTTSWSA-N -1 3 381.161 3.908 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C(C)(C)C1 ZINC001227744387 1032540182 /nfs/dbraw/zinc/54/01/82/1032540182.db2.gz GRILILGYFTYXSC-OAHLLOKOSA-N -1 3 390.440 3.886 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C(C)(C)C1 ZINC001227744387 1032540188 /nfs/dbraw/zinc/54/01/88/1032540188.db2.gz GRILILGYFTYXSC-OAHLLOKOSA-N -1 3 390.440 3.886 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001228672035 1033036942 /nfs/dbraw/zinc/03/69/42/1033036942.db2.gz OCQBWOSQLNDRLD-NHYWBVRUSA-N -1 3 394.403 3.506 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000754615759 1022796901 /nfs/dbraw/zinc/79/69/01/1022796901.db2.gz QNEUEOZEBGJJAZ-UHFFFAOYSA-N -1 3 393.739 3.504 20 5 GHBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCc2ccccc21 ZINC001211404755 1027943760 /nfs/dbraw/zinc/94/37/60/1027943760.db2.gz USTXAJBHNSSZPA-SFHVURJKSA-N -1 3 394.880 3.821 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c(F)cc1[N+](=O)[O-] ZINC001213278664 1028084792 /nfs/dbraw/zinc/08/47/92/1028084792.db2.gz HGPYKEHZLQTISH-CQSZACIVSA-N -1 3 384.816 3.662 20 5 GHBDHM CC(C)=CCc1c([O-])cc(OC2CC[NH2+]CC2)c2c(=O)c3cccc([O-])c3oc12 ZINC001217965055 1030692473 /nfs/dbraw/zinc/69/24/73/1030692473.db2.gz MDTXJKZQKQOXQL-UHFFFAOYSA-N -1 3 395.455 3.997 20 5 GHBDHM CCOC(=O)C(F)(F)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001226341913 1031922309 /nfs/dbraw/zinc/92/23/09/1031922309.db2.gz WOOIICQIOHFWOW-HNNXBMFYSA-N -1 3 385.294 3.758 20 5 GHBDHM Cc1cc(=O)oc2cc([O-])c(OC3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 ZINC001226533096 1031999080 /nfs/dbraw/zinc/99/90/80/1031999080.db2.gz YWXQOGMYWHVTEH-UHFFFAOYSA-N -1 3 396.399 3.763 20 5 GHBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc([O-])c2Br)C1 ZINC001229140675 1033304526 /nfs/dbraw/zinc/30/45/26/1033304526.db2.gz COFCEDQXTVCCCA-JTQLQIEISA-N -1 3 397.200 3.860 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001248001155 1038533015 /nfs/dbraw/zinc/53/30/15/1038533015.db2.gz ZOHHLCVURCQORA-UHFFFAOYSA-N -1 3 380.694 3.829 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])s1 ZINC001463140150 1070843946 /nfs/dbraw/zinc/84/39/46/1070843946.db2.gz QOVHFRQXSQLUPY-NSHDSACASA-N -1 3 393.446 3.659 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309196386 1050458401 /nfs/dbraw/zinc/45/84/01/1050458401.db2.gz GAEWTZWMSYJSKO-INIZCTEOSA-N -1 3 378.425 3.862 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC001309469736 1050744144 /nfs/dbraw/zinc/74/41/44/1050744144.db2.gz YWGKXQGCZXRKDN-MRVPVSSYSA-N -1 3 396.368 3.594 20 5 GHBDHM Nc1c(C(=O)Nc2cc(Cl)ccc2[O-])cc(Br)cc1[N+](=O)[O-] ZINC001325255108 1057300408 /nfs/dbraw/zinc/30/04/08/1057300408.db2.gz ZAUCGQWNQKPGJI-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM CC(C)Oc1cc(C(=O)[N-]c2nnc(-c3ccncc3)s2)ccc1[N+](=O)[O-] ZINC001435634232 1062798297 /nfs/dbraw/zinc/79/82/97/1062798297.db2.gz HAXGWWPRZUHPTO-UHFFFAOYSA-N -1 3 385.405 3.548 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001349942532 1063947579 /nfs/dbraw/zinc/94/75/79/1063947579.db2.gz PTFKBDZRZGWQQP-UHFFFAOYSA-N -1 3 396.153 3.526 20 5 GHBDHM CC(C)Nc1ccc(Br)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001465619852 1065750781 /nfs/dbraw/zinc/75/07/81/1065750781.db2.gz CLFWSIRDQHRDDM-UHFFFAOYSA-N -1 3 395.213 3.531 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001474897343 1074619227 /nfs/dbraw/zinc/61/92/27/1074619227.db2.gz VNRCTVJSXAMZSE-LBPRGKRZSA-N -1 3 382.507 3.999 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])s1 ZINC001475268545 1074813879 /nfs/dbraw/zinc/81/38/79/1074813879.db2.gz JKTMHOMPBMWAJM-OCCSQVGLSA-N -1 3 384.454 3.718 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)c(Cl)c1 ZINC001475345439 1074841718 /nfs/dbraw/zinc/84/17/18/1074841718.db2.gz HGNLNXCBGQKSAP-HNNXBMFYSA-N -1 3 384.816 3.743 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc(Nc3ccc(-c4nnn[n-]4)cn3)c2)cc1 ZINC000738366053 599232038 /nfs/dbraw/zinc/23/20/38/599232038.db2.gz AASDNJMVAOLZCB-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc(Nc3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000738366053 599232041 /nfs/dbraw/zinc/23/20/41/599232041.db2.gz AASDNJMVAOLZCB-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000735639481 598298217 /nfs/dbraw/zinc/29/82/17/598298217.db2.gz IQZAIPGRLZTOIN-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000735639481 598298219 /nfs/dbraw/zinc/29/82/19/598298219.db2.gz IQZAIPGRLZTOIN-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000736677019 598657280 /nfs/dbraw/zinc/65/72/80/598657280.db2.gz YAZSCPWIRMPDAG-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000736677019 598657282 /nfs/dbraw/zinc/65/72/82/598657282.db2.gz YAZSCPWIRMPDAG-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736961792 599443673 /nfs/dbraw/zinc/44/36/73/599443673.db2.gz LUWGRSWZFRJYJN-QLJPJBMISA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736961792 599443675 /nfs/dbraw/zinc/44/36/75/599443675.db2.gz LUWGRSWZFRJYJN-QLJPJBMISA-N -1 3 388.815 3.616 20 5 GHBDHM CC(C)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000819983877 599556810 /nfs/dbraw/zinc/55/68/10/599556810.db2.gz INNJENICUIRNFW-UHFFFAOYSA-N -1 3 395.448 3.774 20 5 GHBDHM CC(C)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000819983877 599556813 /nfs/dbraw/zinc/55/68/13/599556813.db2.gz INNJENICUIRNFW-UHFFFAOYSA-N -1 3 395.448 3.774 20 5 GHBDHM CN(c1ccccc1)c1ccc(CN[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000737505595 599859661 /nfs/dbraw/zinc/85/96/61/599859661.db2.gz ALJXPDIIOGNOEJ-INIZCTEOSA-N -1 3 384.436 3.595 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000820456120 606732783 /nfs/dbraw/zinc/73/27/83/606732783.db2.gz QDIVDPUWBXPXQR-ZDUSSCGKSA-N -1 3 379.424 3.548 20 5 GHBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000820456120 606732784 /nfs/dbraw/zinc/73/27/84/606732784.db2.gz QDIVDPUWBXPXQR-ZDUSSCGKSA-N -1 3 379.424 3.548 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)F)c1 ZINC000826451027 608163977 /nfs/dbraw/zinc/16/39/77/608163977.db2.gz MVSCZKDVKZWWIZ-UHFFFAOYSA-N -1 3 394.725 3.618 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc(C(F)F)c1 ZINC000826451027 608163978 /nfs/dbraw/zinc/16/39/78/608163978.db2.gz MVSCZKDVKZWWIZ-UHFFFAOYSA-N -1 3 394.725 3.618 20 5 GHBDHM Cc1sc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(-c2nnn[n-]2)c1C ZINC000826263456 608828916 /nfs/dbraw/zinc/82/89/16/608828916.db2.gz BZYKFWAEYVMPOU-UHFFFAOYSA-N -1 3 386.437 3.631 20 5 GHBDHM Cc1sc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c(-c2nn[n-]n2)c1C ZINC000826263456 608828918 /nfs/dbraw/zinc/82/89/18/608828918.db2.gz BZYKFWAEYVMPOU-UHFFFAOYSA-N -1 3 386.437 3.631 20 5 GHBDHM CS[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000826225579 609590567 /nfs/dbraw/zinc/59/05/67/609590567.db2.gz FKXMQACXBMIQKO-AWEZNQCLSA-N -1 3 387.469 3.513 20 5 GHBDHM CS[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000826225579 609590569 /nfs/dbraw/zinc/59/05/69/609590569.db2.gz FKXMQACXBMIQKO-AWEZNQCLSA-N -1 3 387.469 3.513 20 5 GHBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302023494 834449711 /nfs/dbraw/zinc/44/97/11/834449711.db2.gz JJERLODNOXNNIB-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471315641 837212856 /nfs/dbraw/zinc/21/28/56/837212856.db2.gz FZKCOXUOZWAHGJ-NSHDSACASA-N -1 3 378.381 3.828 20 5 GHBDHM COc1cc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000610271632 837331413 /nfs/dbraw/zinc/33/14/13/837331413.db2.gz PPOCMNNHGJGVHR-UHFFFAOYSA-N -1 3 388.420 3.554 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(Cl)c1 ZINC000581183622 840832357 /nfs/dbraw/zinc/83/23/57/840832357.db2.gz JKCLOUFTOXZBRF-SNVBAGLBSA-N -1 3 393.273 3.929 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3[N+](=O)[O-])cc2)cc1 ZINC000603838992 861231572 /nfs/dbraw/zinc/23/15/72/861231572.db2.gz APTSXDNCIQVUIB-UHFFFAOYSA-N -1 3 385.401 3.891 20 5 GHBDHM O=C(Nc1ccccc1CN1CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187556922 842646503 /nfs/dbraw/zinc/64/65/03/842646503.db2.gz MIDDDVXEDGLTIE-UHFFFAOYSA-N -1 3 390.399 3.510 20 5 GHBDHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001211691820 843049895 /nfs/dbraw/zinc/04/98/95/843049895.db2.gz QVCRKHBMZMWCAB-UHFFFAOYSA-N -1 3 380.853 3.647 20 5 GHBDHM COc1c([O-])ccc(CN(CCC(F)(F)F)CC(F)(F)F)c1[N+](=O)[O-] ZINC000894125337 845601144 /nfs/dbraw/zinc/60/11/44/845601144.db2.gz UCRQOQCHDUEKOK-UHFFFAOYSA-N -1 3 376.253 3.626 20 5 GHBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cs1 ZINC000176704555 847830307 /nfs/dbraw/zinc/83/03/07/847830307.db2.gz TWTVEBDUZMIEDJ-VIFPVBQESA-N -1 3 389.886 3.615 20 5 GHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(Cl)c1 ZINC000466547139 862025731 /nfs/dbraw/zinc/02/57/31/862025731.db2.gz ZEBZGTBCWJINHW-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000604522026 862243784 /nfs/dbraw/zinc/24/37/84/862243784.db2.gz HFTRNESLXYSHDI-UHFFFAOYSA-N -1 3 395.806 3.654 20 5 GHBDHM Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cccc1[N+](=O)[O-] ZINC000028752357 851997830 /nfs/dbraw/zinc/99/78/30/851997830.db2.gz NDLXESJWKLRSPL-QMMMGPOBSA-N -1 3 386.191 3.722 20 5 GHBDHM COc1cccc(C(=O)[N-]c2cc(F)cc(Br)c2F)c1[N+](=O)[O-] ZINC000489363437 852253124 /nfs/dbraw/zinc/25/31/24/852253124.db2.gz LXBPDPISCJXDHT-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM COc1cc(-c2nc3c(cccc3Br)n2C)c([N+](=O)[O-])cc1[O-] ZINC000436775420 852309326 /nfs/dbraw/zinc/30/93/26/852309326.db2.gz XGUJELFLALONFW-UHFFFAOYSA-N -1 3 378.182 3.625 20 5 GHBDHM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436953401 852542471 /nfs/dbraw/zinc/54/24/71/852542471.db2.gz PAJPOCTUHKFYMW-MAUKXSAKSA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)CF)c([N+](=O)[O-])c2)c(C)c1 ZINC000588851306 854549742 /nfs/dbraw/zinc/54/97/42/854549742.db2.gz NKUILMPAHICTLQ-ZDUSSCGKSA-N -1 3 381.429 3.782 20 5 GHBDHM CCCCc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)OCC)[n-]1 ZINC000485714497 856983229 /nfs/dbraw/zinc/98/32/29/856983229.db2.gz ZGNIMBJEZZUQFW-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC001129224600 857927879 /nfs/dbraw/zinc/92/78/79/857927879.db2.gz GQVXWBVIOZZVAL-UHFFFAOYSA-N -1 3 377.403 3.613 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000066938624 858365955 /nfs/dbraw/zinc/36/59/55/858365955.db2.gz GOTNQZNAFFRWLY-UHFFFAOYSA-N -1 3 389.458 3.505 20 5 GHBDHM O=c1[n-]ccc(NCC2(c3cccc(Br)c3)CCC2)c1[N+](=O)[O-] ZINC000596087055 858778658 /nfs/dbraw/zinc/77/86/58/858778658.db2.gz IQFYJMWWRWCRJI-UHFFFAOYSA-N -1 3 378.226 3.992 20 5 GHBDHM O=c1[n-]ccc(N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596122193 858785225 /nfs/dbraw/zinc/78/52/25/858785225.db2.gz JYKMBFVSTXGSTG-CYBMUJFWSA-N -1 3 388.182 3.719 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000261395931 859924501 /nfs/dbraw/zinc/92/45/01/859924501.db2.gz SBYJILJQYRHMMQ-CQSZACIVSA-N -1 3 389.477 3.859 20 5 GHBDHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484763050 860329362 /nfs/dbraw/zinc/32/93/62/860329362.db2.gz XSYTZYKTDFSARN-UHFFFAOYSA-N -1 3 390.399 3.510 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)n1 ZINC000129699418 860780518 /nfs/dbraw/zinc/78/05/18/860780518.db2.gz IUZGOCJOARCYLO-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2c([O-])cccc21 ZINC000186256800 864510000 /nfs/dbraw/zinc/51/00/00/864510000.db2.gz HIEZQUFLTZUJGA-ZDUSSCGKSA-N -1 3 378.388 3.640 20 5 GHBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192404 865151927 /nfs/dbraw/zinc/15/19/27/865151927.db2.gz MKYWAKHPVBEAHP-JTQLQIEISA-N -1 3 395.404 3.678 20 5 GHBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192404 865151933 /nfs/dbraw/zinc/15/19/33/865151933.db2.gz MKYWAKHPVBEAHP-JTQLQIEISA-N -1 3 395.404 3.678 20 5 GHBDHM O=C(Cc1ccc(C(F)(F)F)cc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523162629 866813413 /nfs/dbraw/zinc/81/34/13/866813413.db2.gz KPKSHUAJWZWJON-UHFFFAOYSA-N -1 3 390.321 3.607 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444850688 867366507 /nfs/dbraw/zinc/36/65/07/867366507.db2.gz QMGQOTDMGUDHKJ-UHFFFAOYSA-N -1 3 380.407 3.746 20 5 GHBDHM COc1ccccc1Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000445195832 867938184 /nfs/dbraw/zinc/93/81/84/867938184.db2.gz QATXDWSQRYHXDB-UHFFFAOYSA-N -1 3 399.334 3.888 20 5 GHBDHM CCOc1ccc(SCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523835020 868112309 /nfs/dbraw/zinc/11/23/09/868112309.db2.gz PAVWOBCQZPUOLN-UHFFFAOYSA-N -1 3 398.444 3.536 20 5 GHBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)n1C ZINC000445614883 868747044 /nfs/dbraw/zinc/74/70/44/868747044.db2.gz DPMZKYOXRPNUDE-UHFFFAOYSA-N -1 3 391.387 3.650 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001192798093 870679721 /nfs/dbraw/zinc/67/97/21/870679721.db2.gz FTIUAZBACIUIFO-NSHDSACASA-N -1 3 396.852 3.613 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001195690251 872555426 /nfs/dbraw/zinc/55/54/26/872555426.db2.gz ZWVCWJBQLWSUOF-HUUCEWRRSA-N -1 3 380.491 3.512 20 5 GHBDHM CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000770703559 874843070 /nfs/dbraw/zinc/84/30/70/874843070.db2.gz CSKRPETXDPXJKW-OAHLLOKOSA-N -1 3 388.399 3.712 20 5 GHBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1I ZINC001201230117 875566670 /nfs/dbraw/zinc/56/66/70/875566670.db2.gz ZHVISMZPDCGHFK-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000785791805 876246831 /nfs/dbraw/zinc/24/68/31/876246831.db2.gz VRIDLRDNIJEEQD-HNNXBMFYSA-N -1 3 384.766 3.844 20 5 GHBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000610086363 877382615 /nfs/dbraw/zinc/38/26/15/877382615.db2.gz ZSUAKPZSOMJVIG-UHFFFAOYSA-N -1 3 386.832 3.689 20 5 GHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000530669591 878265737 /nfs/dbraw/zinc/26/57/37/878265737.db2.gz XTKAUBUULASRAO-UHFFFAOYSA-N -1 3 389.458 3.505 20 5 GHBDHM O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000806760785 884957456 /nfs/dbraw/zinc/95/74/56/884957456.db2.gz NJAMBFHSFZRKOQ-LJQANCHMSA-N -1 3 393.399 3.614 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Br)ncc1Cl ZINC000808070315 885973191 /nfs/dbraw/zinc/97/31/91/885973191.db2.gz NHOZOVDNRAMSHF-UHFFFAOYSA-N -1 3 392.543 3.936 20 5 GHBDHM COC(=O)c1cc2ccccc2cc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916864183 890306368 /nfs/dbraw/zinc/30/63/68/890306368.db2.gz SYLKVOFYCPEGEQ-UHFFFAOYSA-N -1 3 391.339 3.630 20 5 GHBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001133827156 891756977 /nfs/dbraw/zinc/75/69/77/891756977.db2.gz AJBFMEKGUHTFOC-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH][n-]1 ZINC000497732257 892318788 /nfs/dbraw/zinc/31/87/88/892318788.db2.gz IZPMGHFQSOZCLU-UHFFFAOYSA-N -1 3 390.321 3.986 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1[N+](=O)[O-] ZINC000217130842 893095900 /nfs/dbraw/zinc/09/59/00/893095900.db2.gz OJSWPCSVJMWWIU-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778246151 893658657 /nfs/dbraw/zinc/65/86/57/893658657.db2.gz QIBFDZZBRYVZBX-UHFFFAOYSA-N -1 3 390.450 3.751 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001135680106 895034130 /nfs/dbraw/zinc/03/41/30/895034130.db2.gz XBPKEWRPHJAYNU-UHFFFAOYSA-N -1 3 378.410 3.959 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826272577 896846614 /nfs/dbraw/zinc/84/66/14/896846614.db2.gz QRQDBLPNWNHWOK-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826272577 896846622 /nfs/dbraw/zinc/84/66/22/896846622.db2.gz QRQDBLPNWNHWOK-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455928 897332263 /nfs/dbraw/zinc/33/22/63/897332263.db2.gz OLHGCLSVHAGLGX-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455928 897332280 /nfs/dbraw/zinc/33/22/80/897332280.db2.gz OLHGCLSVHAGLGX-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM CC1(C)CN(C2(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000568515542 897901880 /nfs/dbraw/zinc/90/18/80/897901880.db2.gz WJFGVVKBIUFFOK-UHFFFAOYSA-N -1 3 391.468 3.519 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000800052342 898539085 /nfs/dbraw/zinc/53/90/85/898539085.db2.gz RGLQTKOBPHRXQL-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM CCOc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[n-]1 ZINC001174744369 907205009 /nfs/dbraw/zinc/20/50/09/907205009.db2.gz AVJVSAUMLFTJMG-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM CCOc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[n-]1 ZINC001174744369 907205021 /nfs/dbraw/zinc/20/50/21/907205021.db2.gz AVJVSAUMLFTJMG-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM CCOc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC001174744369 907205032 /nfs/dbraw/zinc/20/50/32/907205032.db2.gz AVJVSAUMLFTJMG-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000182735805 907259449 /nfs/dbraw/zinc/25/94/49/907259449.db2.gz UVGLJBNKCMLQKR-HNNXBMFYSA-N -1 3 379.438 3.538 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000184909065 907679192 /nfs/dbraw/zinc/67/91/92/907679192.db2.gz QOFFJPKHHWOCDM-UHFFFAOYSA-N -1 3 394.229 3.706 20 5 GHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000294831844 917003239 /nfs/dbraw/zinc/00/32/39/917003239.db2.gz DPGKTHDNQOXEAW-UHFFFAOYSA-N -1 3 380.735 3.765 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000119908265 919667950 /nfs/dbraw/zinc/66/79/50/919667950.db2.gz IBJPCVSQOHELST-LBPRGKRZSA-N -1 3 389.458 3.758 20 5 GHBDHM CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000412996254 928088542 /nfs/dbraw/zinc/08/85/42/928088542.db2.gz FOGWQSFPVOZVDA-UHFFFAOYSA-N -1 3 398.448 3.539 20 5 GHBDHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000757920856 929855762 /nfs/dbraw/zinc/85/57/62/929855762.db2.gz ILMXEQLVJZPJAN-UHFFFAOYSA-N -1 3 391.252 3.938 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)ccc1[N+](=O)[O-] ZINC000469878501 930230799 /nfs/dbraw/zinc/23/07/99/930230799.db2.gz GIPFTJBDNIYGJO-UHFFFAOYSA-N -1 3 388.380 3.822 20 5 GHBDHM O=C([N-]N1Cc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000782076392 931082469 /nfs/dbraw/zinc/08/24/69/931082469.db2.gz ZVYJKGZPQUGJNI-UHFFFAOYSA-N -1 3 397.456 3.930 20 5 GHBDHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559145405 932462165 /nfs/dbraw/zinc/46/21/65/932462165.db2.gz JIFQLHCPEJURMU-WMZOPIPTSA-N -1 3 379.819 3.628 20 5 GHBDHM O=C([N-][C@H]1CCCOc2cc(F)ccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778073287 934845466 /nfs/dbraw/zinc/84/54/66/934845466.db2.gz GAVRPMHOONQBKE-HNNXBMFYSA-N -1 3 380.322 3.856 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[C@H](C)C1 ZINC001576153365 949286399 /nfs/dbraw/zinc/28/63/99/949286399.db2.gz LZAYCHKKLQCFRB-RWMBFGLXSA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[C@H](C)C1 ZINC001576153365 949286422 /nfs/dbraw/zinc/28/64/22/949286422.db2.gz LZAYCHKKLQCFRB-RWMBFGLXSA-N -1 3 381.440 3.950 20 5 GHBDHM CC1(c2ccccc2)CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001594079690 997972505 /nfs/dbraw/zinc/97/25/05/997972505.db2.gz NOEIBSJMAVKISI-UHFFFAOYSA-N -1 3 384.432 3.612 20 5 GHBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227591005 1032475904 /nfs/dbraw/zinc/47/59/04/1032475904.db2.gz NVSLIGWTNBPQSE-NSHDSACASA-N -1 3 397.200 3.860 20 5 GHBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1c(F)cccc1Br ZINC001227696595 1032520120 /nfs/dbraw/zinc/52/01/20/1032520120.db2.gz ZQALKRIASXFRQB-ZETCQYMHSA-N -1 3 381.161 3.908 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3COc4c3cccc4Br)[n-]c2c1 ZINC001227743035 1032539632 /nfs/dbraw/zinc/53/96/32/1032539632.db2.gz GPXCTCZPCBWZOF-ZDUSSCGKSA-N -1 3 376.166 3.746 20 5 GHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3COc4c3cccc4Br)nc2c1 ZINC001227743035 1032539636 /nfs/dbraw/zinc/53/96/36/1032539636.db2.gz GPXCTCZPCBWZOF-ZDUSSCGKSA-N -1 3 376.166 3.746 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C[C@@H]21 ZINC001227744340 1032540244 /nfs/dbraw/zinc/54/02/44/1032540244.db2.gz GKRYAKHXQLCGPS-FFSVYQOJSA-N -1 3 388.424 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C[C@@H]21 ZINC001227744340 1032540248 /nfs/dbraw/zinc/54/02/48/1032540248.db2.gz GKRYAKHXQLCGPS-FFSVYQOJSA-N -1 3 388.424 3.638 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3[C@@H]4CC[C@H]3N(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228678631 1033039750 /nfs/dbraw/zinc/03/97/50/1033039750.db2.gz XAKTVTWIJBIDTB-XFJVYGCCSA-N -1 3 388.424 3.556 20 5 GHBDHM CCOc1cc(COC(=O)CCCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000755562402 1023295731 /nfs/dbraw/zinc/29/57/31/1023295731.db2.gz IVNUQVHBADQRMW-UHFFFAOYSA-N -1 3 377.368 3.904 20 5 GHBDHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(F)(F)F ZINC001213461969 1028204219 /nfs/dbraw/zinc/20/42/19/1028204219.db2.gz ZXLCIWUEJJTEMI-UHFFFAOYSA-N -1 3 382.404 3.859 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCCCC2)c(Br)c1 ZINC001208314288 1034856860 /nfs/dbraw/zinc/85/68/60/1034856860.db2.gz JJVMHPDKWSGFMB-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1C ZINC001255351209 1040956672 /nfs/dbraw/zinc/95/66/72/1040956672.db2.gz GNZBLYLAYKGCAD-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM O=c1cc(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001307177744 1049120924 /nfs/dbraw/zinc/12/09/24/1049120924.db2.gz KPCCCRRLGOEKLB-UHFFFAOYSA-N -1 3 385.811 3.594 20 5 GHBDHM CCOc1cc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc(Cl)c1[O-] ZINC001308810527 1050104189 /nfs/dbraw/zinc/10/41/89/1050104189.db2.gz UNQYSFWZKKPKKI-UHFFFAOYSA-N -1 3 378.812 3.616 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCCCC2)c(Br)c1 ZINC001308994117 1050254176 /nfs/dbraw/zinc/25/41/76/1050254176.db2.gz DPJQVGXZCSLJEG-UHFFFAOYSA-N -1 3 391.287 3.749 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccc2F)CCC1 ZINC001309648618 1050896780 /nfs/dbraw/zinc/89/67/80/1050896780.db2.gz XYHSTPFWZGHREV-UHFFFAOYSA-N -1 3 398.843 3.788 20 5 GHBDHM C[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)n[n-]1 ZINC001458647063 1063911475 /nfs/dbraw/zinc/91/14/75/1063911475.db2.gz ZJXOPLNGXNXXTC-YFKPBYRVSA-N -1 3 387.709 3.501 20 5 GHBDHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001459685227 1064169513 /nfs/dbraw/zinc/16/95/13/1064169513.db2.gz YAZLDDHUDWVKAS-UHFFFAOYSA-N -1 3 395.272 3.790 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])s1 ZINC001463481501 1064392767 /nfs/dbraw/zinc/39/27/67/1064392767.db2.gz CPVJWMPTLCSSRJ-GFCCVEGCSA-N -1 3 380.491 3.883 20 5 GHBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475063319 1074718214 /nfs/dbraw/zinc/71/82/14/1074718214.db2.gz NOXSFZCRKVLPRJ-QWHCGFSZSA-N -1 3 378.903 3.591 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(-c4ccccc4)cc32)nc1 ZINC001475221183 1074792177 /nfs/dbraw/zinc/79/21/77/1074792177.db2.gz JNWLDXZVIPUXNR-LJQANCHMSA-N -1 3 395.440 3.623 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(-c4ccccc4)cc32)nc1 ZINC001475221181 1074792523 /nfs/dbraw/zinc/79/25/23/1074792523.db2.gz JNWLDXZVIPUXNR-IBGZPJMESA-N -1 3 395.440 3.623 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736138864 598855176 /nfs/dbraw/zinc/85/51/76/598855176.db2.gz OJMBRDBWWUNCNE-NSHDSACASA-N -1 3 377.364 3.603 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736138864 598855178 /nfs/dbraw/zinc/85/51/78/598855178.db2.gz OJMBRDBWWUNCNE-NSHDSACASA-N -1 3 377.364 3.603 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000736136807 598855440 /nfs/dbraw/zinc/85/54/40/598855440.db2.gz HNQSKXXXHHZIQI-NSHDSACASA-N -1 3 377.364 3.603 20 5 GHBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000736136807 598855441 /nfs/dbraw/zinc/85/54/41/598855441.db2.gz HNQSKXXXHHZIQI-NSHDSACASA-N -1 3 377.364 3.603 20 5 GHBDHM O=[N+]([O-])c1cnc(Sc2ccc(-c3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373804 598500015 /nfs/dbraw/zinc/50/00/15/598500015.db2.gz HCLUCLPCWNSEED-UHFFFAOYSA-N -1 3 376.401 3.988 20 5 GHBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000735760399 598675322 /nfs/dbraw/zinc/67/53/22/598675322.db2.gz BIIBRPRSNSPPQZ-CYBMUJFWSA-N -1 3 397.439 3.595 20 5 GHBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000735760399 598675324 /nfs/dbraw/zinc/67/53/24/598675324.db2.gz BIIBRPRSNSPPQZ-CYBMUJFWSA-N -1 3 397.439 3.595 20 5 GHBDHM Cc1c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000738288927 599788920 /nfs/dbraw/zinc/78/89/20/599788920.db2.gz LJMNQWOEZJBAIF-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM O=[N+]([O-])c1ccccc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823646839 606599426 /nfs/dbraw/zinc/59/94/26/606599426.db2.gz BAOWAOKTIUPFLH-UHFFFAOYSA-N -1 3 393.375 3.810 20 5 GHBDHM O=[N+]([O-])c1ccccc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823646839 606599427 /nfs/dbraw/zinc/59/94/27/606599427.db2.gz BAOWAOKTIUPFLH-UHFFFAOYSA-N -1 3 393.375 3.810 20 5 GHBDHM O=Cc1cc(Cl)c(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1Cl ZINC000826483980 607967448 /nfs/dbraw/zinc/96/74/48/607967448.db2.gz IILMNRHFHXNWKD-UHFFFAOYSA-N -1 3 380.147 3.687 20 5 GHBDHM O=Cc1cc(Cl)c(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1Cl ZINC000826483980 607967449 /nfs/dbraw/zinc/96/74/49/607967449.db2.gz IILMNRHFHXNWKD-UHFFFAOYSA-N -1 3 380.147 3.687 20 5 GHBDHM O=C(CC1CCCCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404099 608160227 /nfs/dbraw/zinc/16/02/27/608160227.db2.gz OINAEJUTZBKMKU-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM O=C(CC1CCCCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404099 608160229 /nfs/dbraw/zinc/16/02/29/608160229.db2.gz OINAEJUTZBKMKU-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286296 608161587 /nfs/dbraw/zinc/16/15/87/608161587.db2.gz XPDPXBBPKUUDLH-IHWYPQMZSA-N -1 3 398.810 3.779 20 5 GHBDHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286296 608161589 /nfs/dbraw/zinc/16/15/89/608161589.db2.gz XPDPXBBPKUUDLH-IHWYPQMZSA-N -1 3 398.810 3.779 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000176968035 837826433 /nfs/dbraw/zinc/82/64/33/837826433.db2.gz XTRUFSZVJIPKFJ-UHFFFAOYSA-N -1 3 392.202 3.794 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC000131624494 861526340 /nfs/dbraw/zinc/52/63/40/861526340.db2.gz HCSYTIYWKDLQLJ-UHFFFAOYSA-N -1 3 393.447 3.737 20 5 GHBDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])oc21 ZINC000514689001 850177667 /nfs/dbraw/zinc/17/76/67/850177667.db2.gz CFFXZVVTYCBHGP-LBPRGKRZSA-N -1 3 390.417 3.779 20 5 GHBDHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000435472792 850552539 /nfs/dbraw/zinc/55/25/39/850552539.db2.gz MIRDRKIZDYLZAZ-UHFFFAOYSA-N -1 3 377.187 3.966 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(C(F)(F)F)c1 ZINC000163166052 862309170 /nfs/dbraw/zinc/30/91/70/862309170.db2.gz PURQXGKRVNAAHB-UHFFFAOYSA-N -1 3 399.350 3.573 20 5 GHBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000438807500 852889221 /nfs/dbraw/zinc/88/92/21/852889221.db2.gz HPCYYIUDTBCJEV-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000507483684 852965148 /nfs/dbraw/zinc/96/51/48/852965148.db2.gz OKVIERXSMYURQT-UHFFFAOYSA-N -1 3 392.330 3.540 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000590589706 855502869 /nfs/dbraw/zinc/50/28/69/855502869.db2.gz MSDDDENDAONXRB-CYBMUJFWSA-N -1 3 382.438 3.558 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000542732152 855581764 /nfs/dbraw/zinc/58/17/64/855581764.db2.gz DSUOKDVWQDJTQW-UHFFFAOYSA-N -1 3 381.429 3.972 20 5 GHBDHM Cc1nc(-c2ccco2)ccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000520569783 855682956 /nfs/dbraw/zinc/68/29/56/855682956.db2.gz YYWSEAYAAMPLCQ-UHFFFAOYSA-N -1 3 389.371 3.623 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000134252488 862910771 /nfs/dbraw/zinc/91/07/71/862910771.db2.gz PBBZEQOPTWAPPL-UHFFFAOYSA-N -1 3 375.797 3.722 20 5 GHBDHM Cc1cc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129120 858729980 /nfs/dbraw/zinc/72/99/80/858729980.db2.gz QHYMNWWKGTZTDM-GXTWGEPZSA-N -1 3 397.353 3.559 20 5 GHBDHM CCOC(=O)C[C@H](c1ccccc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086635 858778940 /nfs/dbraw/zinc/77/89/40/858778940.db2.gz UZUASMYOFPMOEN-QGZVFWFLSA-N -1 3 399.447 3.649 20 5 GHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC)c1F ZINC001271140636 858965986 /nfs/dbraw/zinc/96/59/86/858965986.db2.gz VJJFYDHGXYZBOQ-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM COc1cc(CNc2ncc(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1[O-] ZINC000543683084 859422602 /nfs/dbraw/zinc/42/26/02/859422602.db2.gz TZRUQSQWENJBMN-UHFFFAOYSA-N -1 3 389.408 3.529 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2ncccc2F)c([N+](=O)[O-])cc1OCCC ZINC000598802721 860584777 /nfs/dbraw/zinc/58/47/77/860584777.db2.gz FBIGGKCTGHSJMF-UHFFFAOYSA-N -1 3 377.372 3.959 20 5 GHBDHM Cc1nn(Cc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)c(C)c1[N+](=O)[O-] ZINC000128262956 867385118 /nfs/dbraw/zinc/38/51/18/867385118.db2.gz KAACCXUMXLEZKV-UHFFFAOYSA-N -1 3 384.367 3.553 20 5 GHBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1Cc1cccc(C)c1 ZINC000445189153 867912285 /nfs/dbraw/zinc/91/22/85/867912285.db2.gz VCDJBEJDGXJUDM-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nnn1-c1ccccc1Cl ZINC000103363660 871826761 /nfs/dbraw/zinc/82/67/61/871826761.db2.gz PWZIBEIENIIFNZ-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000768294230 873216558 /nfs/dbraw/zinc/21/65/58/873216558.db2.gz WDKGYQSDYLHOSR-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000464515765 874029105 /nfs/dbraw/zinc/02/91/05/874029105.db2.gz CESDJOLZOPOFIP-UHFFFAOYSA-N -1 3 397.338 3.723 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)c1 ZINC001199819495 875180287 /nfs/dbraw/zinc/18/02/87/875180287.db2.gz UPPBMAHPPVFRGY-GFCCVEGCSA-N -1 3 390.787 3.536 20 5 GHBDHM COC(=O)c1cc(Br)c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229097 875565129 /nfs/dbraw/zinc/56/51/29/875565129.db2.gz CBNLQJKSMDVXJE-UHFFFAOYSA-N -1 3 381.182 3.902 20 5 GHBDHM CCOC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1Br ZINC001201231905 875567503 /nfs/dbraw/zinc/56/75/03/875567503.db2.gz MTCFJATVHZVVPY-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786140895 876469318 /nfs/dbraw/zinc/46/93/18/876469318.db2.gz SCOGSYCHYMFZMP-JTQLQIEISA-N -1 3 386.385 3.699 20 5 GHBDHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443995521 877516376 /nfs/dbraw/zinc/51/63/76/877516376.db2.gz WADJHSDWZGYLOJ-LLVKDONJSA-N -1 3 394.396 3.937 20 5 GHBDHM CC1(C)Cc2c(cnn2-c2ccccc2F)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000852967958 878681996 /nfs/dbraw/zinc/68/19/96/878681996.db2.gz LKDOQIXXXFUEFU-UHFFFAOYSA-N -1 3 397.410 3.609 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000617345457 879616360 /nfs/dbraw/zinc/61/63/60/879616360.db2.gz SZROCHSKBWWIKP-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000609543521 883336003 /nfs/dbraw/zinc/33/60/03/883336003.db2.gz QUYZWBGUHAVZAR-ZBFHGGJFSA-N -1 3 380.853 3.863 20 5 GHBDHM O=C([N-][C@H](CCO)c1ccc(Cl)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000807844814 885774955 /nfs/dbraw/zinc/77/49/55/885774955.db2.gz RDIKVZSYRRHCQP-OAHLLOKOSA-N -1 3 384.766 3.580 20 5 GHBDHM Cc1ccccc1OCCCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499058485 886487731 /nfs/dbraw/zinc/48/77/31/886487731.db2.gz SCGHVBCBDWLPFB-UHFFFAOYSA-N -1 3 380.404 3.513 20 5 GHBDHM CCCc1cc(=O)oc2cc(OC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc12 ZINC000916967020 890686648 /nfs/dbraw/zinc/68/66/48/890686648.db2.gz YMSAIIIGJOXDSK-UHFFFAOYSA-N -1 3 393.355 3.749 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498020595 892986772 /nfs/dbraw/zinc/98/67/72/892986772.db2.gz OMXUQDFOAWHUIG-UHFFFAOYSA-N -1 3 381.429 3.917 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564103176 894597593 /nfs/dbraw/zinc/59/75/93/894597593.db2.gz ZBRWLIWWHVOLCU-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC000816603695 894967140 /nfs/dbraw/zinc/96/71/40/894967140.db2.gz NQOXOUXPQUNWSB-UHFFFAOYSA-N -1 3 399.191 3.899 20 5 GHBDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000564971584 895336795 /nfs/dbraw/zinc/33/67/95/895336795.db2.gz AEGWAXYLKBSAMU-GOSISDBHSA-N -1 3 392.433 3.554 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000800051457 898537840 /nfs/dbraw/zinc/53/78/40/898537840.db2.gz LPKFRXIGAVYFGX-UHFFFAOYSA-N -1 3 376.768 3.777 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000576427425 902013882 /nfs/dbraw/zinc/01/38/82/902013882.db2.gz SYNTVDIGTCUSDG-UHFFFAOYSA-N -1 3 385.239 3.608 20 5 GHBDHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001186541361 914628600 /nfs/dbraw/zinc/62/86/00/914628600.db2.gz QIWDPLRGLNWSBC-CQSZACIVSA-N -1 3 382.869 3.938 20 5 GHBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2ccco2)[n-]n1 ZINC000773383944 906520723 /nfs/dbraw/zinc/52/07/23/906520723.db2.gz WGVHSTIYXIYDOF-UHFFFAOYSA-N -1 3 392.165 3.697 20 5 GHBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2ccco2)n[n-]1 ZINC000773383944 906520734 /nfs/dbraw/zinc/52/07/34/906520734.db2.gz WGVHSTIYXIYDOF-UHFFFAOYSA-N -1 3 392.165 3.697 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001190025627 917062857 /nfs/dbraw/zinc/06/28/57/917062857.db2.gz SNAMTEZZVBTXGC-LSDHHAIUSA-N -1 3 380.491 3.969 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294961068 917071468 /nfs/dbraw/zinc/07/14/68/917071468.db2.gz NJFOIDXJBAIPCA-UHFFFAOYSA-N -1 3 383.330 3.963 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2nc(-c3ccccc3F)oc2C)cc([N+](=O)[O-])c1 ZINC000119275933 919615029 /nfs/dbraw/zinc/61/50/29/919615029.db2.gz DGUJICNYWSOZDQ-UHFFFAOYSA-N -1 3 399.334 3.736 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750823201 927876554 /nfs/dbraw/zinc/87/65/54/927876554.db2.gz ZZLDNINKCLXECY-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000544507725 929241891 /nfs/dbraw/zinc/24/18/91/929241891.db2.gz HWQORDRHKRTMLZ-MRVPVSSYSA-N -1 3 383.173 3.944 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000758389326 930029792 /nfs/dbraw/zinc/02/97/92/930029792.db2.gz NQDRWFQHYIBKTJ-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1[O-] ZINC000560552168 933336210 /nfs/dbraw/zinc/33/62/10/933336210.db2.gz JUFDZNJHWHRFQL-UHFFFAOYSA-N -1 3 386.407 3.702 20 5 GHBDHM O=C([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952303 934356289 /nfs/dbraw/zinc/35/62/89/934356289.db2.gz RWHWGGNJMRKFFA-SJORKVTESA-N -1 3 394.349 3.862 20 5 GHBDHM COc1cccc(SC)c1[N-]C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001460977449 1069311796 /nfs/dbraw/zinc/31/17/96/1069311796.db2.gz LGPBJSKODAQLQO-UHFFFAOYSA-N -1 3 379.413 3.783 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC2 ZINC001591974020 976583598 /nfs/dbraw/zinc/58/35/98/976583598.db2.gz OFOMBQQOZCHZPC-GOSISDBHSA-N -1 3 384.432 3.959 20 5 GHBDHM COc1c([O-])ccc(C[NH2+][C@H](CCC(=O)[O-])CC2CCCCC2)c1[N+](=O)[O-] ZINC001599345083 997990255 /nfs/dbraw/zinc/99/02/55/997990255.db2.gz QDEQQJIBMZBBCA-OAHLLOKOSA-N -1 3 380.441 3.602 20 5 GHBDHM COc1cc(O[C@H](C)c2cn(C)nc2C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647450 1032500810 /nfs/dbraw/zinc/50/08/10/1032500810.db2.gz YRCMMMVARLUNOS-LLVKDONJSA-N -1 3 396.399 3.548 20 5 GHBDHM O=C(c1ccsc1)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccsc1 ZINC001227690552 1032517732 /nfs/dbraw/zinc/51/77/32/1032517732.db2.gz IKQYDQCCEUHLLT-OAHLLOKOSA-N -1 3 386.414 3.992 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])c2[n-]cnc21 ZINC001227695245 1032519413 /nfs/dbraw/zinc/51/94/13/1032519413.db2.gz NDCLBZIXKCUCMM-GOSISDBHSA-N -1 3 391.343 3.943 20 5 GHBDHM CCc1cccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)c1[O-] ZINC000562561893 1018318985 /nfs/dbraw/zinc/31/89/85/1018318985.db2.gz OSJBPCOKDFCBCI-UHFFFAOYSA-N -1 3 385.376 3.521 20 5 GHBDHM O=c1[n-]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2c3ccccc3oc21 ZINC000155713091 1019536973 /nfs/dbraw/zinc/53/69/73/1019536973.db2.gz KCVJJVFRFYCTHY-UHFFFAOYSA-N -1 3 390.399 3.742 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1Cl ZINC000571359511 1019679171 /nfs/dbraw/zinc/67/91/71/1019679171.db2.gz MPNJXMKACJKRLC-UHFFFAOYSA-N -1 3 399.881 3.620 20 5 GHBDHM CCOC(=O)[C@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)c2ccccc2O1 ZINC001228676385 1033038335 /nfs/dbraw/zinc/03/83/35/1033038335.db2.gz DQXSIHQFEATKQY-ZWKOTPCHSA-N -1 3 397.387 3.614 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCC34CN(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228675443 1033038579 /nfs/dbraw/zinc/03/85/79/1033038579.db2.gz QBRAEVWPNQBABI-HNNXBMFYSA-N -1 3 388.424 3.558 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001141434076 1025042436 /nfs/dbraw/zinc/04/24/36/1025042436.db2.gz MARGEENGNNJQBK-UHFFFAOYSA-N -1 3 376.800 3.591 20 5 GHBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC001209900912 1027268495 /nfs/dbraw/zinc/26/84/95/1027268495.db2.gz SAAPFXLWZIQJNM-URLYPYJESA-N -1 3 380.388 3.717 20 5 GHBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc(I)cc2[O-])c1F ZINC001215299687 1029137985 /nfs/dbraw/zinc/13/79/85/1029137985.db2.gz ZEXSAXRSGRQCJN-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)c(Br)cc2F)n1 ZINC001461856233 1069795947 /nfs/dbraw/zinc/79/59/47/1069795947.db2.gz UJXBQEHKOJCYJY-UHFFFAOYSA-N -1 3 391.584 3.619 20 5 GHBDHM CC(C)OC(=O)N1CCC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CC1 ZINC001233500279 1039393372 /nfs/dbraw/zinc/39/33/72/1039393372.db2.gz QUXCCSGARXFIGZ-UHFFFAOYSA-N -1 3 382.804 3.513 20 5 GHBDHM CC(C)(C)[NH+]1CCC(Oc2cc([O-])cc3oc4c([O-])cccc4c(=O)c23)CC1 ZINC001234741326 1040268656 /nfs/dbraw/zinc/26/86/56/1040268656.db2.gz HFBDXBVSSJVSOP-UHFFFAOYSA-N -1 3 383.444 3.999 20 5 GHBDHM CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C(F)(F)F ZINC001303508651 1047408563 /nfs/dbraw/zinc/40/85/63/1047408563.db2.gz RBXQDRCGTGTEGG-UHFFFAOYSA-N -1 3 383.326 3.633 20 5 GHBDHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001475313800 1050347137 /nfs/dbraw/zinc/34/71/37/1050347137.db2.gz ZCTMPBFGBCYKQW-NSHDSACASA-N -1 3 391.287 3.771 20 5 GHBDHM CC(C)(C)CNC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC001439202900 1064201085 /nfs/dbraw/zinc/20/10/85/1064201085.db2.gz JLNAOTFVLJKDEK-UHFFFAOYSA-N -1 3 379.800 3.869 20 5 GHBDHM CCc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c1 ZINC001463730292 1064575424 /nfs/dbraw/zinc/57/54/24/1064575424.db2.gz OBUBYTVKAFGFRH-UHFFFAOYSA-N -1 3 397.353 3.724 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)c(Cl)c1 ZINC001463762294 1064594806 /nfs/dbraw/zinc/59/48/06/1064594806.db2.gz AAACJYLRBNYOID-UHFFFAOYSA-N -1 3 384.816 3.743 20 5 GHBDHM CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001464742506 1065185865 /nfs/dbraw/zinc/18/58/65/1065185865.db2.gz UJRGTAZLTHDCRO-UHFFFAOYSA-N -1 3 380.388 3.717 20 5 GHBDHM CCCOC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC001475053615 1074712509 /nfs/dbraw/zinc/71/25/09/1074712509.db2.gz JEUUZLIVZCVLRA-UHFFFAOYSA-N -1 3 390.889 3.656 20 5 GHBDHM Cc1cc(C)c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC001475124804 1074747100 /nfs/dbraw/zinc/74/71/00/1074747100.db2.gz FDIJRCDMYGDOKC-UHFFFAOYSA-N -1 3 382.869 3.694 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])s1 ZINC001475215217 1074789703 /nfs/dbraw/zinc/78/97/03/1074789703.db2.gz UUQGDNBWAFVVCD-SECBINFHSA-N -1 3 383.476 3.614 20 5 GHBDHM O=[N+]([O-])c1ncccc1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738375006 598854925 /nfs/dbraw/zinc/85/49/25/598854925.db2.gz XOWAPLIVACWUJV-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM C[C@@H]1C[C@H]1[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667493 599054689 /nfs/dbraw/zinc/05/46/89/599054689.db2.gz MVFBQQWGQSMMMC-PKPZWWHKSA-N -1 3 385.815 3.633 20 5 GHBDHM C[C@@H]1C[C@H]1[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667493 599054692 /nfs/dbraw/zinc/05/46/92/599054692.db2.gz MVFBQQWGQSMMMC-PKPZWWHKSA-N -1 3 385.815 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C4CCCC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644734 599082745 /nfs/dbraw/zinc/08/27/45/599082745.db2.gz KZDXNCVDNJJBEB-UHFFFAOYSA-N -1 3 393.451 3.730 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C4CCCC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644734 599082748 /nfs/dbraw/zinc/08/27/48/599082748.db2.gz KZDXNCVDNJJBEB-UHFFFAOYSA-N -1 3 393.451 3.730 20 5 GHBDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821483115 599110368 /nfs/dbraw/zinc/11/03/68/599110368.db2.gz XSEMRWCLZBBIOO-SJCJKPOMSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821483115 599110370 /nfs/dbraw/zinc/11/03/70/599110370.db2.gz XSEMRWCLZBBIOO-SJCJKPOMSA-N -1 3 382.424 3.908 20 5 GHBDHM CCC[C@@]1(C)CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821028085 599110500 /nfs/dbraw/zinc/11/05/00/599110500.db2.gz UCGOEFSSQWNLNW-IBGZPJMESA-N -1 3 381.440 3.730 20 5 GHBDHM CCC[C@@]1(C)CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821028085 599110501 /nfs/dbraw/zinc/11/05/01/599110501.db2.gz UCGOEFSSQWNLNW-IBGZPJMESA-N -1 3 381.440 3.730 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235277 598814056 /nfs/dbraw/zinc/81/40/56/598814056.db2.gz FOQAAYFINUYFEI-NHYWBVRUSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235277 598814057 /nfs/dbraw/zinc/81/40/57/598814057.db2.gz FOQAAYFINUYFEI-NHYWBVRUSA-N -1 3 380.408 3.660 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736961789 599443212 /nfs/dbraw/zinc/44/32/12/599443212.db2.gz LUWGRSWZFRJYJN-HWPZZCPQSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736961789 599443215 /nfs/dbraw/zinc/44/32/15/599443215.db2.gz LUWGRSWZFRJYJN-HWPZZCPQSA-N -1 3 388.815 3.616 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CC=CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645112 599558884 /nfs/dbraw/zinc/55/88/84/599558884.db2.gz OHFPPZAJDKMVSY-FQEVSTJZSA-N -1 3 391.435 3.650 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CC=CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645112 599558885 /nfs/dbraw/zinc/55/88/85/599558885.db2.gz OHFPPZAJDKMVSY-FQEVSTJZSA-N -1 3 391.435 3.650 20 5 GHBDHM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)cc1Cl ZINC000740090085 600942549 /nfs/dbraw/zinc/94/25/49/600942549.db2.gz RKUPMDYMIIVBAH-UHFFFAOYSA-N -1 3 389.839 3.659 20 5 GHBDHM O=C([O-])NC[C@@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000832512324 603172560 /nfs/dbraw/zinc/17/25/60/603172560.db2.gz CYFLHVRKGZFYMW-BBRMVZONSA-N -1 3 390.465 3.634 20 5 GHBDHM C[C@H](c1ccccc1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570395 606448300 /nfs/dbraw/zinc/44/83/00/606448300.db2.gz JBXKQZBQQTUBPW-GFCCVEGCSA-N -1 3 375.392 3.521 20 5 GHBDHM C[C@H](c1ccccc1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570395 606448302 /nfs/dbraw/zinc/44/83/02/606448302.db2.gz JBXKQZBQQTUBPW-GFCCVEGCSA-N -1 3 375.392 3.521 20 5 GHBDHM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820589726 607041759 /nfs/dbraw/zinc/04/17/59/607041759.db2.gz LSYNGXFPRZJSOJ-OAHLLOKOSA-N -1 3 384.371 3.628 20 5 GHBDHM CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820589726 607041760 /nfs/dbraw/zinc/04/17/60/607041760.db2.gz LSYNGXFPRZJSOJ-OAHLLOKOSA-N -1 3 384.371 3.628 20 5 GHBDHM CC1CCN([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000580775589 837406545 /nfs/dbraw/zinc/40/65/45/837406545.db2.gz BWTNXSIGBSIPAA-HNNXBMFYSA-N -1 3 390.465 3.635 20 5 GHBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000128193794 834612959 /nfs/dbraw/zinc/61/29/59/834612959.db2.gz HEGKUIBMGVOYIQ-UHFFFAOYSA-N -1 3 375.797 3.770 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cs1 ZINC000120160354 834705833 /nfs/dbraw/zinc/70/58/33/834705833.db2.gz KBLNLFNOSOCKLQ-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120297558 835071241 /nfs/dbraw/zinc/07/12/41/835071241.db2.gz KRTQMYRXGKOZPI-UHFFFAOYSA-N -1 3 377.241 3.528 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000536211905 835555461 /nfs/dbraw/zinc/55/54/61/835555461.db2.gz DJATUIZDTVOICR-UHFFFAOYSA-N -1 3 376.166 3.797 20 5 GHBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000579597827 839431619 /nfs/dbraw/zinc/43/16/19/839431619.db2.gz GGQNZEBYYVSBOU-QGZVFWFLSA-N -1 3 383.448 3.702 20 5 GHBDHM Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OCC(F)F ZINC000302201702 861239470 /nfs/dbraw/zinc/23/94/70/861239470.db2.gz VKMUSWGOQFKQSJ-UHFFFAOYSA-N -1 3 392.405 3.756 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000500584568 843670126 /nfs/dbraw/zinc/67/01/26/843670126.db2.gz AHKAINPUQUPEEE-CYBMUJFWSA-N -1 3 382.445 3.835 20 5 GHBDHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000432776728 843782441 /nfs/dbraw/zinc/78/24/41/843782441.db2.gz QLQICWZCGYREBK-UHFFFAOYSA-N -1 3 394.449 3.845 20 5 GHBDHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957188 861487285 /nfs/dbraw/zinc/48/72/85/861487285.db2.gz PNCPQEXCLZGNIE-NSHDSACASA-N -1 3 378.381 3.828 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479111779 847470563 /nfs/dbraw/zinc/47/05/63/847470563.db2.gz YVHIZAIWNGCTHK-CQSZACIVSA-N -1 3 392.330 3.624 20 5 GHBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000582727196 848160667 /nfs/dbraw/zinc/16/06/67/848160667.db2.gz CPHNEHTZCDLASW-KRWDZBQOSA-N -1 3 383.448 3.702 20 5 GHBDHM CCN(CC)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514626265 850072493 /nfs/dbraw/zinc/07/24/93/850072493.db2.gz AJLBLHBQZBTXOP-UHFFFAOYSA-N -1 3 377.466 3.859 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000487128819 850493022 /nfs/dbraw/zinc/49/30/22/850493022.db2.gz DZYNKSGJGDORHB-OAHLLOKOSA-N -1 3 398.893 3.557 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000436003876 851100790 /nfs/dbraw/zinc/10/07/90/851100790.db2.gz ISBHLYDWGKWJJQ-UHFFFAOYSA-N -1 3 386.433 3.848 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000515527198 851133061 /nfs/dbraw/zinc/13/30/61/851133061.db2.gz ZTRVKPUAQVCNHU-UHFFFAOYSA-N -1 3 382.850 3.941 20 5 GHBDHM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436953402 852542349 /nfs/dbraw/zinc/54/23/49/852542349.db2.gz PAJPOCTUHKFYMW-QAPCUYQASA-N -1 3 383.448 3.598 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000489760238 852590965 /nfs/dbraw/zinc/59/09/65/852590965.db2.gz PZQQMWDZFVGXQX-UHFFFAOYSA-N -1 3 399.334 3.736 20 5 GHBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029389029 853051342 /nfs/dbraw/zinc/05/13/42/853051342.db2.gz QAQLDWSBCLSADL-UHFFFAOYSA-N -1 3 392.297 3.728 20 5 GHBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029389029 853051349 /nfs/dbraw/zinc/05/13/49/853051349.db2.gz QAQLDWSBCLSADL-UHFFFAOYSA-N -1 3 392.297 3.728 20 5 GHBDHM C[C@@H]1C[C@H]1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462720355 856106142 /nfs/dbraw/zinc/10/61/42/856106142.db2.gz HROPWAMIZKASNS-ZLENFMNRSA-N -1 3 380.853 3.924 20 5 GHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000485119831 856118099 /nfs/dbraw/zinc/11/80/99/856118099.db2.gz GLXOCKPUEDZOBA-UHFFFAOYSA-N -1 3 388.343 3.860 20 5 GHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000485119831 856118108 /nfs/dbraw/zinc/11/81/08/856118108.db2.gz GLXOCKPUEDZOBA-UHFFFAOYSA-N -1 3 388.343 3.860 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(F)F)c([N+](=O)[O-])c2)c(C)c1 ZINC000301446321 856791771 /nfs/dbraw/zinc/79/17/71/856791771.db2.gz YKBZEUHTUCIIII-UHFFFAOYSA-N -1 3 385.392 3.689 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(-c3sccc3C)ns2)ccc1[N+](=O)[O-] ZINC000131817090 856973193 /nfs/dbraw/zinc/97/31/93/856973193.db2.gz VKEOKPDYDPBULS-UHFFFAOYSA-N -1 3 376.419 3.744 20 5 GHBDHM CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183546 858799718 /nfs/dbraw/zinc/79/97/18/858799718.db2.gz GFNUCMDEBHUWON-LKFCYVNXSA-N -1 3 382.214 3.646 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1C ZINC000509374989 859223405 /nfs/dbraw/zinc/22/34/05/859223405.db2.gz IWYRNBMLRCZUQZ-UHFFFAOYSA-N -1 3 390.339 3.753 20 5 GHBDHM O=c1nc(CSc2ccc([N+](=O)[O-])cn2)[n-]c2scc(-c3ccco3)c21 ZINC000160133559 863341040 /nfs/dbraw/zinc/34/10/40/863341040.db2.gz SNHRVSVRANFLSM-UHFFFAOYSA-N -1 3 386.414 3.840 20 5 GHBDHM Cc1ccc(-c2nc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n[n-]2)o1 ZINC000444742534 867165686 /nfs/dbraw/zinc/16/56/86/867165686.db2.gz IYADEHYJOUNUGV-UHFFFAOYSA-N -1 3 385.383 3.620 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479123869 867226082 /nfs/dbraw/zinc/22/60/82/867226082.db2.gz OHSZXMLAXPXHFZ-CQSZACIVSA-N -1 3 392.330 3.624 20 5 GHBDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021730241 868662450 /nfs/dbraw/zinc/66/24/50/868662450.db2.gz KXRFWZXGZMICCB-LURJTMIESA-N -1 3 390.154 3.553 20 5 GHBDHM COc1ccc(-c2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000462704702 869932356 /nfs/dbraw/zinc/93/23/56/869932356.db2.gz OEYLYJVJCOVOOJ-UHFFFAOYSA-N -1 3 398.440 3.749 20 5 GHBDHM O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000538790968 870658501 /nfs/dbraw/zinc/65/85/01/870658501.db2.gz ZYLMJVFZCPKSGP-UHFFFAOYSA-N -1 3 389.240 3.706 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001193039751 870833723 /nfs/dbraw/zinc/83/37/23/870833723.db2.gz CKLCEMKXHKYNQX-UHFFFAOYSA-N -1 3 395.437 3.557 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000191906227 882663377 /nfs/dbraw/zinc/66/33/77/882663377.db2.gz FIHDMRZICZPQQS-UHFFFAOYSA-N -1 3 377.466 3.695 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(-c2cccs2)o1 ZINC000541251265 873242332 /nfs/dbraw/zinc/24/23/32/873242332.db2.gz AQZPPTJIAYDUQG-UHFFFAOYSA-N -1 3 381.373 3.954 20 5 GHBDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000775932675 874791893 /nfs/dbraw/zinc/79/18/93/874791893.db2.gz CCCVKSOKKVIHAF-QMMMGPOBSA-N -1 3 399.186 3.791 20 5 GHBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1[O-] ZINC000530917574 878732650 /nfs/dbraw/zinc/73/26/50/878732650.db2.gz XCDOYKNNUXKWHP-UHFFFAOYSA-N -1 3 380.198 3.504 20 5 GHBDHM O=C([O-])[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000617338792 879609396 /nfs/dbraw/zinc/60/93/96/879609396.db2.gz FOBOEDZPVSWBQC-MRXNPFEDSA-N -1 3 397.456 3.751 20 5 GHBDHM O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000806760784 884957198 /nfs/dbraw/zinc/95/71/98/884957198.db2.gz NJAMBFHSFZRKOQ-IBGZPJMESA-N -1 3 393.399 3.614 20 5 GHBDHM COC(=O)c1ccc(OC)c(F)c1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001134432600 892852568 /nfs/dbraw/zinc/85/25/68/892852568.db2.gz RWTBDACSJJVJGZ-UHFFFAOYSA-N -1 3 394.380 3.503 20 5 GHBDHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498169880 893486869 /nfs/dbraw/zinc/48/68/69/893486869.db2.gz OADBRZBBTHZTGX-UHFFFAOYSA-N -1 3 377.385 3.914 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1Cl ZINC000127292856 894531476 /nfs/dbraw/zinc/53/14/76/894531476.db2.gz XUSNLEDDRVFZIQ-UHFFFAOYSA-N -1 3 399.831 3.788 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC001185508300 913925002 /nfs/dbraw/zinc/92/50/02/913925002.db2.gz YPIWDKCFYYFJGD-OAHLLOKOSA-N -1 3 388.367 3.794 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826212481 896363339 /nfs/dbraw/zinc/36/33/39/896363339.db2.gz RRSKQLTWCUAIHG-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826212481 896363357 /nfs/dbraw/zinc/36/33/57/896363357.db2.gz RRSKQLTWCUAIHG-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000800150606 898667980 /nfs/dbraw/zinc/66/79/80/898667980.db2.gz VUQFSCNMBHXULJ-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000264427993 903084746 /nfs/dbraw/zinc/08/47/46/903084746.db2.gz BXHIZAJXWFWFHV-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000191902595 907308959 /nfs/dbraw/zinc/30/89/59/907308959.db2.gz LMIINXREWHRCIO-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(SC(F)F)cc3s2)n1 ZINC000779715111 908301806 /nfs/dbraw/zinc/30/18/06/908301806.db2.gz KMRSBTRUSQTXNA-UHFFFAOYSA-N -1 3 385.377 3.505 20 5 GHBDHM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC001180682245 910303436 /nfs/dbraw/zinc/30/34/36/910303436.db2.gz OZKBNAPKRNLCJU-UHFFFAOYSA-N -1 3 397.475 3.817 20 5 GHBDHM O=C1[N-]C(=O)C(=CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000783678270 931615440 /nfs/dbraw/zinc/61/54/40/931615440.db2.gz GFWVPLDTUBEVGW-XFFZJAGNSA-N -1 3 378.171 3.625 20 5 GHBDHM CC(C)C1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001574088180 948914474 /nfs/dbraw/zinc/91/44/74/948914474.db2.gz DDEDRHHNOUDHED-UHFFFAOYSA-N -1 3 381.440 3.586 20 5 GHBDHM CC(C)C1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001574088180 948914482 /nfs/dbraw/zinc/91/44/82/948914482.db2.gz DDEDRHHNOUDHED-UHFFFAOYSA-N -1 3 381.440 3.586 20 5 GHBDHM CCOc1cc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC001597035394 986471142 /nfs/dbraw/zinc/47/11/42/986471142.db2.gz JYADIKDLUHAWRN-LHSJRXKWSA-N -1 3 384.432 3.961 20 5 GHBDHM CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001598176577 990728430 /nfs/dbraw/zinc/72/84/30/990728430.db2.gz PMXGJDCJMCDWCK-CQSZACIVSA-N -1 3 381.791 3.800 20 5 GHBDHM C[C@@](NC[C@@H](O)c1ccc(Cl)cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285962 994639833 /nfs/dbraw/zinc/63/98/33/994639833.db2.gz MEZGIMMHUNBSMJ-WBVHZDCISA-N -1 3 399.230 3.525 20 5 GHBDHM C[C@](NCc1ccc(CC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593296784 994699997 /nfs/dbraw/zinc/69/99/97/994699997.db2.gz PZYZOUUMAOCQCP-QGZVFWFLSA-N -1 3 382.338 3.789 20 5 GHBDHM C[C@@](NCc1ccc(OCC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298565 994716687 /nfs/dbraw/zinc/71/66/87/994716687.db2.gz LPOGNIVBADDTBT-KRWDZBQOSA-N -1 3 398.337 3.626 20 5 GHBDHM O=c1cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]c(C(F)(F)F)c1 ZINC001227587815 1032474813 /nfs/dbraw/zinc/47/48/13/1032474813.db2.gz YVEVIOGVWUMCRK-UHFFFAOYSA-N -1 3 383.326 3.762 20 5 GHBDHM CCCCOC[C@@H](C)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227645717 1032500452 /nfs/dbraw/zinc/50/04/52/1032500452.db2.gz IRHIFKYFHFMWCF-GFCCVEGCSA-N -1 3 388.416 3.950 20 5 GHBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1c(F)cccc1Br ZINC001227696593 1032519940 /nfs/dbraw/zinc/51/99/40/1032519940.db2.gz ZQALKRIASXFRQB-SSDOTTSWSA-N -1 3 381.161 3.908 20 5 GHBDHM C[C@@H]1C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740872 1032538366 /nfs/dbraw/zinc/53/83/66/1032538366.db2.gz BHLXOGZOZDWUJO-YPMHNXCESA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740872 1032538373 /nfs/dbraw/zinc/53/83/73/1032538373.db2.gz BHLXOGZOZDWUJO-YPMHNXCESA-N -1 3 376.413 3.638 20 5 GHBDHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001210786471 1027651553 /nfs/dbraw/zinc/65/15/53/1027651553.db2.gz MLOXAPGOBJNDRO-CYBMUJFWSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)c(F)cc1[N+](=O)[O-] ZINC001211456292 1027969216 /nfs/dbraw/zinc/96/92/16/1027969216.db2.gz VCIGOYPADZHMHV-ZDUSSCGKSA-N -1 3 392.452 3.961 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])s1 ZINC001213698163 1028336709 /nfs/dbraw/zinc/33/67/09/1028336709.db2.gz NEXBLHPSCGRKMD-LBPRGKRZSA-N -1 3 384.479 3.791 20 5 GHBDHM CCOc1nnc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[n-]1 ZINC001152342985 1031198770 /nfs/dbraw/zinc/19/87/70/1031198770.db2.gz RPTRPSDCYUAPGA-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM CCOc1nc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[n-]1 ZINC001152342985 1031198782 /nfs/dbraw/zinc/19/87/82/1031198782.db2.gz RPTRPSDCYUAPGA-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM CCOc1n[n-]c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001152342985 1031198795 /nfs/dbraw/zinc/19/87/95/1031198795.db2.gz RPTRPSDCYUAPGA-UHFFFAOYSA-N -1 3 385.405 3.515 20 5 GHBDHM Cc1cc(=O)oc2cc([O-])c(OC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 ZINC001226533371 1032000050 /nfs/dbraw/zinc/00/00/50/1032000050.db2.gz DSSUTKRCTRGIIU-UHFFFAOYSA-N -1 3 396.399 3.763 20 5 GHBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cccc([O-])c2Br)C1 ZINC001229142945 1033304364 /nfs/dbraw/zinc/30/43/64/1033304364.db2.gz SHWGGHQKSXXVGS-NSHDSACASA-N -1 3 379.210 3.721 20 5 GHBDHM Nc1c(Br)cc(C(=O)Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC001159657582 1034705315 /nfs/dbraw/zinc/70/53/15/1034705315.db2.gz LQFDCGOANVQVFS-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001209025850 1035153235 /nfs/dbraw/zinc/15/32/35/1035153235.db2.gz LAMSXPJEOFSGMA-UHFFFAOYSA-N -1 3 382.869 3.813 20 5 GHBDHM Cc1c(F)ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1Cl ZINC001248000419 1038531849 /nfs/dbraw/zinc/53/18/49/1038531849.db2.gz RSTBLCCHUMAAKL-UHFFFAOYSA-N -1 3 376.731 3.998 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2-c2cnco2)no1 ZINC001247999699 1038532060 /nfs/dbraw/zinc/53/20/60/1038532060.db2.gz LXMOWXBRNFQCFO-UHFFFAOYSA-N -1 3 377.316 3.552 20 5 GHBDHM CCCOc1ccc(-c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001256287446 1041684481 /nfs/dbraw/zinc/68/44/81/1041684481.db2.gz OCDAUUBEDDXFED-UHFFFAOYSA-N -1 3 394.185 3.586 20 5 GHBDHM CCCOc1ccc(-c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001256287446 1041684484 /nfs/dbraw/zinc/68/44/84/1041684484.db2.gz OCDAUUBEDDXFED-UHFFFAOYSA-N -1 3 394.185 3.586 20 5 GHBDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293637 1043958945 /nfs/dbraw/zinc/95/89/45/1043958945.db2.gz CVSUHLKZMGIQJA-NXEZZACHSA-N -1 3 379.298 3.966 20 5 GHBDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293637 1043958951 /nfs/dbraw/zinc/95/89/51/1043958951.db2.gz CVSUHLKZMGIQJA-NXEZZACHSA-N -1 3 379.298 3.966 20 5 GHBDHM Cc1c(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC001296419646 1045311745 /nfs/dbraw/zinc/31/17/45/1045311745.db2.gz BDXPMNSOMBKAIC-UHFFFAOYSA-N -1 3 392.437 3.637 20 5 GHBDHM CCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC001463321242 1070986181 /nfs/dbraw/zinc/98/61/81/1070986181.db2.gz BFKACSYSIGGSND-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309196387 1050458984 /nfs/dbraw/zinc/45/89/84/1050458984.db2.gz GAEWTZWMSYJSKO-MRXNPFEDSA-N -1 3 378.425 3.862 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)c(F)cc1[N+](=O)[O-] ZINC001309346169 1050616987 /nfs/dbraw/zinc/61/69/87/1050616987.db2.gz RXTOGQVEYBYUIL-MRVPVSSYSA-N -1 3 378.834 3.797 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001463768536 1064600509 /nfs/dbraw/zinc/60/05/09/1064600509.db2.gz OLFVBRRHOSTVMD-HOTGVXAUSA-N -1 3 392.452 3.905 20 5 GHBDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001474839290 1074587709 /nfs/dbraw/zinc/58/77/09/1074587709.db2.gz IHHNFJODVOVARZ-INIZCTEOSA-N -1 3 384.404 3.939 20 5 GHBDHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001474931807 1074637954 /nfs/dbraw/zinc/63/79/54/1074637954.db2.gz ZYKKXNJMNIVNIX-OAHLLOKOSA-N -1 3 380.441 3.732 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737284705 598853933 /nfs/dbraw/zinc/85/39/33/598853933.db2.gz LQVHQVXMMWXFIP-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM COc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1-c1nnn[n-]1 ZINC000737080796 599150714 /nfs/dbraw/zinc/15/07/14/599150714.db2.gz HMJUWTMDAHIMQX-CLTKARDFSA-N -1 3 380.389 3.564 20 5 GHBDHM COc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1-c1nn[n-]n1 ZINC000737080796 599150717 /nfs/dbraw/zinc/15/07/17/599150717.db2.gz HMJUWTMDAHIMQX-CLTKARDFSA-N -1 3 380.389 3.564 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3cc4ccccc4o3)cc(-c3nnn[n-]3)c2c1 ZINC000823645546 599481551 /nfs/dbraw/zinc/48/15/51/599481551.db2.gz TUPXKERIYKTTHG-UHFFFAOYSA-N -1 3 387.359 3.681 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3cc4ccccc4o3)cc(-c3nn[n-]n3)c2c1 ZINC000823645546 599481554 /nfs/dbraw/zinc/48/15/54/599481554.db2.gz TUPXKERIYKTTHG-UHFFFAOYSA-N -1 3 387.359 3.681 20 5 GHBDHM Cc1ccccc1C[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822355940 599486270 /nfs/dbraw/zinc/48/62/70/599486270.db2.gz CIUQKVSOOJTLDL-ZDUSSCGKSA-N -1 3 389.419 3.675 20 5 GHBDHM Cc1ccccc1C[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822355940 599486271 /nfs/dbraw/zinc/48/62/71/599486271.db2.gz CIUQKVSOOJTLDL-ZDUSSCGKSA-N -1 3 389.419 3.675 20 5 GHBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000820275814 599492684 /nfs/dbraw/zinc/49/26/84/599492684.db2.gz SBVULVRNFGSDAG-NSHDSACASA-N -1 3 393.382 3.678 20 5 GHBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000820275814 599492685 /nfs/dbraw/zinc/49/26/85/599492685.db2.gz SBVULVRNFGSDAG-NSHDSACASA-N -1 3 393.382 3.678 20 5 GHBDHM O=C([O-])N1CCC([C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 ZINC000834073148 605984021 /nfs/dbraw/zinc/98/40/21/605984021.db2.gz FWKFRWJKZOOSHR-LJQANCHMSA-N -1 3 387.411 3.955 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccsc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643790 606456381 /nfs/dbraw/zinc/45/63/81/606456381.db2.gz AYSOXNNERVFTKA-MRXNPFEDSA-N -1 3 393.432 3.726 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccsc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643790 606456382 /nfs/dbraw/zinc/45/63/82/606456382.db2.gz AYSOXNNERVFTKA-MRXNPFEDSA-N -1 3 393.432 3.726 20 5 GHBDHM C[C@@H](c1ccccc1F)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570862 606457112 /nfs/dbraw/zinc/45/71/12/606457112.db2.gz SAKFPPGXFCPQMZ-NSHDSACASA-N -1 3 393.382 3.660 20 5 GHBDHM C[C@@H](c1ccccc1F)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570862 606457114 /nfs/dbraw/zinc/45/71/14/606457114.db2.gz SAKFPPGXFCPQMZ-NSHDSACASA-N -1 3 393.382 3.660 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3cc(F)ccc3-c3nnn[n-]3)sc2c1 ZINC000823645238 607038656 /nfs/dbraw/zinc/03/86/56/607038656.db2.gz QJSSDGDACOTJRY-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3cc(F)ccc3-c3nn[n-]n3)sc2c1 ZINC000823645238 607038657 /nfs/dbraw/zinc/03/86/57/607038657.db2.gz QJSSDGDACOTJRY-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC000826484303 607967504 /nfs/dbraw/zinc/96/75/04/607967504.db2.gz XKFOQJHRQBCPPA-UHFFFAOYSA-N -1 3 380.147 3.687 20 5 GHBDHM O=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC000826484303 607967505 /nfs/dbraw/zinc/96/75/05/607967505.db2.gz XKFOQJHRQBCPPA-UHFFFAOYSA-N -1 3 380.147 3.687 20 5 GHBDHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824939901 608162672 /nfs/dbraw/zinc/16/26/72/608162672.db2.gz XWPXTJMGMIGQNW-ZJUUUORDSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824939901 608162673 /nfs/dbraw/zinc/16/26/73/608162673.db2.gz XWPXTJMGMIGQNW-ZJUUUORDSA-N -1 3 378.820 3.583 20 5 GHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000613244677 837465243 /nfs/dbraw/zinc/46/52/43/837465243.db2.gz AMJDNMAFVOPWHC-HNNXBMFYSA-N -1 3 394.431 3.623 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000065792084 835691261 /nfs/dbraw/zinc/69/12/61/835691261.db2.gz MDCGOXDBZXIJNV-HNNXBMFYSA-N -1 3 388.367 3.739 20 5 GHBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000179864623 836143182 /nfs/dbraw/zinc/14/31/82/836143182.db2.gz OGBXMJCILOJRKJ-DOMZBBRYSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1c(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122581239 839745856 /nfs/dbraw/zinc/74/58/56/839745856.db2.gz ZVJRZRHVOMPINF-UHFFFAOYSA-N -1 3 399.388 3.891 20 5 GHBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)sc1Br ZINC000536254477 847600848 /nfs/dbraw/zinc/60/08/48/847600848.db2.gz OULZJNIHNWDRIR-UHFFFAOYSA-N -1 3 375.175 3.819 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1[O-] ZINC000583348861 849674854 /nfs/dbraw/zinc/67/48/54/849674854.db2.gz IIHJSULMLJNQPP-UHFFFAOYSA-N -1 3 383.385 3.879 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c(Cl)c1 ZINC000487082337 850434522 /nfs/dbraw/zinc/43/45/22/850434522.db2.gz GUROTJIDVAEVFV-HNNXBMFYSA-N -1 3 398.893 3.557 20 5 GHBDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604487924 862247738 /nfs/dbraw/zinc/24/77/38/862247738.db2.gz POQLIAWMHRKAIM-UHFFFAOYSA-N -1 3 398.868 3.513 20 5 GHBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129400242 853259421 /nfs/dbraw/zinc/25/94/21/853259421.db2.gz DCBUKUIMIAJWDU-UHFFFAOYSA-N -1 3 395.322 3.779 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)n1 ZINC000046065368 856464625 /nfs/dbraw/zinc/46/46/25/856464625.db2.gz APCAAPDFNSKDHY-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000574217536 857297996 /nfs/dbraw/zinc/29/79/96/857297996.db2.gz PEAQZYHRVRTHNS-UHFFFAOYSA-N -1 3 389.371 3.571 20 5 GHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442247758 857652594 /nfs/dbraw/zinc/65/25/94/857652594.db2.gz FZZRFSHFTIXSQS-UHFFFAOYSA-N -1 3 376.768 3.511 20 5 GHBDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC000171090653 863041902 /nfs/dbraw/zinc/04/19/02/863041902.db2.gz NUQNGVKRGCCYLT-UHFFFAOYSA-N -1 3 394.302 3.562 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000151629105 858863506 /nfs/dbraw/zinc/86/35/06/858863506.db2.gz PHEUIPOWJCBHOJ-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM Cc1c([O-])ccc2c(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)oc12 ZINC000764491037 859464222 /nfs/dbraw/zinc/46/42/22/859464222.db2.gz QWYUVCCVCQYSEW-UHFFFAOYSA-N -1 3 380.400 3.880 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484791531 860351523 /nfs/dbraw/zinc/35/15/23/860351523.db2.gz WZGJHBHUSRCBGQ-NWDGAFQWSA-N -1 3 380.388 3.550 20 5 GHBDHM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904399738 860404798 /nfs/dbraw/zinc/40/47/98/860404798.db2.gz AHQXVSHVEURBRJ-SFHVURJKSA-N -1 3 375.450 3.795 20 5 GHBDHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000124758895 860488622 /nfs/dbraw/zinc/48/86/22/860488622.db2.gz MAHCXPLQDTUJSZ-INIZCTEOSA-N -1 3 377.784 3.549 20 5 GHBDHM CC(C)(C)c1nnc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000552395782 860521591 /nfs/dbraw/zinc/52/15/91/860521591.db2.gz RYPAZEPOOXUGCK-UHFFFAOYSA-N -1 3 385.243 3.759 20 5 GHBDHM CCCCc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C(=O)OCC)[n-]1 ZINC001127964816 860534340 /nfs/dbraw/zinc/53/43/40/860534340.db2.gz KVQVHKFLCHGGBG-UHFFFAOYSA-N -1 3 388.424 3.706 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444032368 863176198 /nfs/dbraw/zinc/17/61/98/863176198.db2.gz JZMJLNVQGLOEKH-UHFFFAOYSA-N -1 3 389.477 3.690 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1(c2ccc(Cl)cc2)CC1 ZINC000609202796 881715670 /nfs/dbraw/zinc/71/56/70/881715670.db2.gz ZXXOOQHWUVZRRI-UHFFFAOYSA-N -1 3 382.807 3.731 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-] ZINC000523727710 867858918 /nfs/dbraw/zinc/85/89/18/867858918.db2.gz HQUOMMWZEBAKDQ-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(F)c(F)c(F)c1F ZINC000193017110 869609175 /nfs/dbraw/zinc/60/91/75/869609175.db2.gz JRJCNKPXBIFYGC-UHFFFAOYSA-N -1 3 386.257 3.565 20 5 GHBDHM C[C@@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001195118559 872181696 /nfs/dbraw/zinc/18/16/96/872181696.db2.gz VQKBYZIPBUEVSP-LBPRGKRZSA-N -1 3 390.889 3.512 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2-c2cccc(Br)c2)c1 ZINC001199828102 875210862 /nfs/dbraw/zinc/21/08/62/875210862.db2.gz ALFPVLJYMMQXEH-UHFFFAOYSA-N -1 3 375.182 3.992 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)[C@H](O)CCCC3)s1 ZINC000853812682 879298124 /nfs/dbraw/zinc/29/81/24/879298124.db2.gz LCSQRKWKNIAKDG-CQSZACIVSA-N -1 3 382.463 3.563 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000617151975 879444367 /nfs/dbraw/zinc/44/43/67/879444367.db2.gz KCTSKRGIZLQOTI-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914571873 884177942 /nfs/dbraw/zinc/17/79/42/884177942.db2.gz OAESYBAZXISKTQ-SOIVGHGOSA-N -1 3 381.432 3.551 20 5 GHBDHM O=C(CCc1nc2ccccc2s1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499025163 886396748 /nfs/dbraw/zinc/39/67/48/886396748.db2.gz XWWXWLKYHQNNJU-UHFFFAOYSA-N -1 3 393.428 3.588 20 5 GHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(COc2ccccc2F)on1 ZINC000470701346 930837258 /nfs/dbraw/zinc/83/72/58/930837258.db2.gz MMAOPQRKGMJLRT-UHFFFAOYSA-N -1 3 375.287 3.692 20 5 GHBDHM O=C([N-]Cc1ccc(Br)s1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777940319 934255723 /nfs/dbraw/zinc/25/57/23/934255723.db2.gz JLYNDZZUBRJLJK-UHFFFAOYSA-N -1 3 391.193 3.827 20 5 GHBDHM O=C([N-]C1(c2ccc(F)cc2)CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777988323 934507184 /nfs/dbraw/zinc/50/71/84/934507184.db2.gz CUGIOKQKHKLWFC-UHFFFAOYSA-N -1 3 394.349 3.648 20 5 GHBDHM CC(C)(C)[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825707 949888181 /nfs/dbraw/zinc/88/81/81/949888181.db2.gz BIWSUXDIUIGISD-GOEBONIOSA-N -1 3 381.440 3.950 20 5 GHBDHM CC(C)(C)[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825707 949888205 /nfs/dbraw/zinc/88/82/05/949888205.db2.gz BIWSUXDIUIGISD-GOEBONIOSA-N -1 3 381.440 3.950 20 5 GHBDHM CC(C)(C)c1nc2ccc(Nc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2s1 ZINC001573885390 950819627 /nfs/dbraw/zinc/81/96/27/950819627.db2.gz QKXOOZYBEWCOIX-UHFFFAOYSA-N -1 3 396.436 3.821 20 5 GHBDHM CC(C)(C)c1nc2ccc(Nc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2s1 ZINC001573885390 950819649 /nfs/dbraw/zinc/81/96/49/950819649.db2.gz QKXOOZYBEWCOIX-UHFFFAOYSA-N -1 3 396.436 3.821 20 5 GHBDHM O=C([O-])[C@H](c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001326552284 961110237 /nfs/dbraw/zinc/11/02/37/961110237.db2.gz LZZQQYBKNRVPSZ-SFHVURJKSA-N -1 3 390.823 3.917 20 5 GHBDHM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC001595885748 982908938 /nfs/dbraw/zinc/90/89/38/982908938.db2.gz DVICSVOXTVUUBO-OAHLLOKOSA-N -1 3 399.447 3.922 20 5 GHBDHM COc1cc(OC2CCC(OC)CC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645394 1032499690 /nfs/dbraw/zinc/49/96/90/1032499690.db2.gz HGDRWLLVQNMPCM-UHFFFAOYSA-N -1 3 386.400 3.702 20 5 GHBDHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901788246 1021447264 /nfs/dbraw/zinc/44/72/64/1021447264.db2.gz UKKRQYMDPHILJY-INIZCTEOSA-N -1 3 384.310 3.694 20 5 GHBDHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001228623213 1033012528 /nfs/dbraw/zinc/01/25/28/1033012528.db2.gz PQYVQVVPNNLURU-UHFFFAOYSA-N -1 3 396.399 3.763 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)nc2cc1[N+](=O)[O-] ZINC001228674559 1033037529 /nfs/dbraw/zinc/03/75/29/1033037529.db2.gz JTMOEOZWVSTLCB-WBMJQRKESA-N -1 3 390.440 3.804 20 5 GHBDHM O=C([O-])c1ccccc1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000756309919 1023586712 /nfs/dbraw/zinc/58/67/12/1023586712.db2.gz PQOHIBADIYKASE-UHFFFAOYSA-N -1 3 383.429 3.749 20 5 GHBDHM O=c1cc(CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000839653633 1026175969 /nfs/dbraw/zinc/17/59/69/1026175969.db2.gz AIIINUKMNOBXGA-CQSZACIVSA-N -1 3 386.305 3.500 20 5 GHBDHM CN(C)c1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Cl ZINC001164190924 1026446155 /nfs/dbraw/zinc/44/61/55/1026446155.db2.gz RFQQWRYLMLGMTN-UHFFFAOYSA-N -1 3 375.859 3.523 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2F)c1C ZINC001213506790 1028232027 /nfs/dbraw/zinc/23/20/27/1028232027.db2.gz IIPUIHSPYVAFAQ-DOTOQJQBSA-N -1 3 378.425 3.516 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CC1 ZINC001233497202 1039391175 /nfs/dbraw/zinc/39/11/75/1039391175.db2.gz FXPPOGZXVBZYFO-UHFFFAOYSA-N -1 3 396.831 3.903 20 5 GHBDHM CC(C)(C)[NH+]1CCC(Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234127803 1039870586 /nfs/dbraw/zinc/87/05/86/1039870586.db2.gz IQLRUJVYFOYKNX-UHFFFAOYSA-N -1 3 399.443 3.705 20 5 GHBDHM Cc1cc(Cl)ccc1-c1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001255325122 1040946474 /nfs/dbraw/zinc/94/64/74/1040946474.db2.gz YWHBHDLEIUMDTN-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(Cl)ccc1-c1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001255325122 1040946475 /nfs/dbraw/zinc/94/64/75/1040946475.db2.gz YWHBHDLEIUMDTN-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM COc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1[N+](=O)[O-] ZINC001291858192 1043504345 /nfs/dbraw/zinc/50/43/45/1043504345.db2.gz VVALBIPTIPPMMC-UHFFFAOYSA-N -1 3 392.411 3.830 20 5 GHBDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001309327797 1050596481 /nfs/dbraw/zinc/59/64/81/1050596481.db2.gz KHLBHNZGIWVGNQ-UHFFFAOYSA-N -1 3 398.868 3.558 20 5 GHBDHM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001309591297 1050841466 /nfs/dbraw/zinc/84/14/66/1050841466.db2.gz PVCHEDCFSVALJW-VIFPVBQESA-N -1 3 388.795 3.814 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001318159672 1054460139 /nfs/dbraw/zinc/46/01/39/1054460139.db2.gz BHMXHGXYIRIZEE-UHFFFAOYSA-N -1 3 375.381 3.634 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001319624320 1055364941 /nfs/dbraw/zinc/36/49/41/1055364941.db2.gz GLWDPXSRTYXOGZ-UHFFFAOYSA-N -1 3 387.446 3.873 20 5 GHBDHM Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)c(=O)[n-]1 ZINC001439805187 1058308134 /nfs/dbraw/zinc/30/81/34/1058308134.db2.gz XXPBGPHOENXUKU-UHFFFAOYSA-N -1 3 398.341 3.606 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458457556 1063820758 /nfs/dbraw/zinc/82/07/58/1063820758.db2.gz PNQUVXBAMCIIER-VHSXEESVSA-N -1 3 398.341 3.789 20 5 GHBDHM Cc1c(Br)ccc([O-])c1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001468424632 1067727011 /nfs/dbraw/zinc/72/70/11/1067727011.db2.gz IFXOGYYSAIXRLL-UHFFFAOYSA-N -1 3 399.172 3.528 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC001475057514 1074714978 /nfs/dbraw/zinc/71/49/78/1074714978.db2.gz UJFJDGBKHMPXKH-MNOVXSKESA-N -1 3 398.378 3.689 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC001475614868 1074927917 /nfs/dbraw/zinc/92/79/17/1074927917.db2.gz KTSRDPVHQPXLIU-HOTGVXAUSA-N -1 3 378.425 3.516 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644610 599056479 /nfs/dbraw/zinc/05/64/79/599056479.db2.gz JLIGEHNJTQPDSQ-JHJVBQTASA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644610 599056481 /nfs/dbraw/zinc/05/64/81/599056481.db2.gz JLIGEHNJTQPDSQ-JHJVBQTASA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1 ZINC000823639736 599077024 /nfs/dbraw/zinc/07/70/24/599077024.db2.gz GMVRCHCGLCXGQC-LBPRGKRZSA-N -1 3 393.190 3.627 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1 ZINC000823639736 599077027 /nfs/dbraw/zinc/07/70/27/599077027.db2.gz GMVRCHCGLCXGQC-LBPRGKRZSA-N -1 3 393.190 3.627 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000736675801 598517570 /nfs/dbraw/zinc/51/75/70/598517570.db2.gz NWSOBDQJWKZLFO-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000736675801 598517571 /nfs/dbraw/zinc/51/75/71/598517571.db2.gz NWSOBDQJWKZLFO-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000824385048 607524369 /nfs/dbraw/zinc/52/43/69/607524369.db2.gz KLNMRHZUYQQTOS-JTQLQIEISA-N -1 3 386.799 3.561 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000824385048 607524370 /nfs/dbraw/zinc/52/43/70/607524370.db2.gz KLNMRHZUYQQTOS-JTQLQIEISA-N -1 3 386.799 3.561 20 5 GHBDHM C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739031859 602875952 /nfs/dbraw/zinc/87/59/52/602875952.db2.gz RFQHJALHBWXQMD-TZMCWYRMSA-N -1 3 390.465 3.586 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574817 604680769 /nfs/dbraw/zinc/68/07/69/604680769.db2.gz NZXRGWNFHHPPFV-KYOSRNDESA-N -1 3 383.242 3.575 20 5 GHBDHM C[C@H](c1ccncc1)N1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833552165 604929571 /nfs/dbraw/zinc/92/95/71/604929571.db2.gz WWJPJBWUOSOEBE-UYWPIULCSA-N -1 3 396.447 3.725 20 5 GHBDHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825553791 607783922 /nfs/dbraw/zinc/78/39/22/607783922.db2.gz WRGYCKDHNOBBCC-LLVKDONJSA-N -1 3 397.395 3.516 20 5 GHBDHM CCOC(=O)Nc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825553791 607783923 /nfs/dbraw/zinc/78/39/23/607783923.db2.gz WRGYCKDHNOBBCC-LLVKDONJSA-N -1 3 397.395 3.516 20 5 GHBDHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824939900 608162944 /nfs/dbraw/zinc/16/29/44/608162944.db2.gz XWPXTJMGMIGQNW-VHSXEESVSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824939900 608162945 /nfs/dbraw/zinc/16/29/45/608162945.db2.gz XWPXTJMGMIGQNW-VHSXEESVSA-N -1 3 378.820 3.583 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826498021 608232846 /nfs/dbraw/zinc/23/28/46/608232846.db2.gz DMWQCGHNZJEVHX-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826498021 608232847 /nfs/dbraw/zinc/23/28/47/608232847.db2.gz DMWQCGHNZJEVHX-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583695987 834881104 /nfs/dbraw/zinc/88/11/04/834881104.db2.gz AGJVWPZSIKGSGP-AWEZNQCLSA-N -1 3 384.436 3.634 20 5 GHBDHM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000728608466 835972360 /nfs/dbraw/zinc/97/23/60/835972360.db2.gz BBJCUYODLIWBDP-UHFFFAOYSA-N -1 3 396.388 3.657 20 5 GHBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000179864649 836143371 /nfs/dbraw/zinc/14/33/71/836143371.db2.gz OGBXMJCILOJRKJ-WFASDCNBSA-N -1 3 390.889 3.510 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c(Cl)c1 ZINC000581183621 840832589 /nfs/dbraw/zinc/83/25/89/840832589.db2.gz JKCLOUFTOXZBRF-JTQLQIEISA-N -1 3 393.273 3.929 20 5 GHBDHM CO[C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000417637502 841089139 /nfs/dbraw/zinc/08/91/39/841089139.db2.gz NHDSQBVLJGFOQB-ZDUSSCGKSA-N -1 3 394.811 3.620 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000500151576 841524997 /nfs/dbraw/zinc/52/49/97/841524997.db2.gz WGKFDKLEXYDPIX-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187543907 842631216 /nfs/dbraw/zinc/63/12/16/842631216.db2.gz HJIPYVBQXXCECF-UHFFFAOYSA-N -1 3 385.298 3.755 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000538309384 845375155 /nfs/dbraw/zinc/37/51/55/845375155.db2.gz VTYTYGQEPJTQQC-SFHVURJKSA-N -1 3 383.448 3.503 20 5 GHBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000511055667 846064757 /nfs/dbraw/zinc/06/47/57/846064757.db2.gz CATPRYYJQSUMEK-UHFFFAOYSA-N -1 3 384.841 3.516 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135505903 846502863 /nfs/dbraw/zinc/50/28/63/846502863.db2.gz AYHQXQLBEVHILI-UHFFFAOYSA-N -1 3 382.348 3.518 20 5 GHBDHM O=C(C[C@H]1CCc2ccccc2C1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000481615987 861888730 /nfs/dbraw/zinc/88/87/30/861888730.db2.gz UOQJYCRSQWHNIV-AWEZNQCLSA-N -1 3 376.416 3.541 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000487568173 850734037 /nfs/dbraw/zinc/73/40/37/850734037.db2.gz QSNMZMBHVSNBCT-HXUWFJFHSA-N -1 3 383.448 3.503 20 5 GHBDHM COc1cc2ccccc2cc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000604455709 862231830 /nfs/dbraw/zinc/23/18/30/862231830.db2.gz HKVGBNCHIYARKN-UHFFFAOYSA-N -1 3 388.383 3.821 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488727563 851716465 /nfs/dbraw/zinc/71/64/65/851716465.db2.gz QQWWLKQTEAVXJD-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000490492123 853050359 /nfs/dbraw/zinc/05/03/59/853050359.db2.gz LCSKKMUPLASBEE-GOSISDBHSA-N -1 3 385.464 3.532 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000056127870 854376553 /nfs/dbraw/zinc/37/65/53/854376553.db2.gz IFYHHEQJEMVACG-ZDUSSCGKSA-N -1 3 388.367 3.875 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000591587809 856168610 /nfs/dbraw/zinc/16/86/10/856168610.db2.gz HTDMHJCHOGQKKY-AWEZNQCLSA-N -1 3 384.841 3.686 20 5 GHBDHM COc1cc(CNc2ccc(Oc3ccc(F)cc3)cn2)c([N+](=O)[O-])cc1[O-] ZINC000466616855 862825105 /nfs/dbraw/zinc/82/51/05/862825105.db2.gz GYHAUMMGJMGIJO-UHFFFAOYSA-N -1 3 385.351 3.669 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc(-c2cscn2)c1 ZINC000439156757 858588043 /nfs/dbraw/zinc/58/80/43/858588043.db2.gz WKOUVAAGVRHOET-UHFFFAOYSA-N -1 3 391.412 3.783 20 5 GHBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000596241448 858825783 /nfs/dbraw/zinc/82/57/83/858825783.db2.gz TZCOLJAEQWTOSC-IINYFYTJSA-N -1 3 383.326 3.681 20 5 GHBDHM Cc1ccc(-c2cc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)n[n-]2)o1 ZINC000172315469 863447443 /nfs/dbraw/zinc/44/74/43/863447443.db2.gz ZWGFFBRHXUANFA-UHFFFAOYSA-N -1 3 394.343 3.898 20 5 GHBDHM Cc1ccc(-c2cc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)[n-]n2)o1 ZINC000172315469 863447451 /nfs/dbraw/zinc/44/74/51/863447451.db2.gz ZWGFFBRHXUANFA-UHFFFAOYSA-N -1 3 394.343 3.898 20 5 GHBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480064869 863938652 /nfs/dbraw/zinc/93/86/52/863938652.db2.gz FBFVAHYPTLXLBP-HIFRSBDPSA-N -1 3 390.889 3.510 20 5 GHBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000478755733 866596540 /nfs/dbraw/zinc/59/65/40/866596540.db2.gz DWQXYYZWQZWSRY-UHFFFAOYSA-N -1 3 390.889 3.514 20 5 GHBDHM Cc1nc(C)c(CC(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000920329679 882049556 /nfs/dbraw/zinc/04/95/56/882049556.db2.gz NOSKLZPNNQQPBM-UHFFFAOYSA-N -1 3 379.372 3.522 20 5 GHBDHM Cc1csc(Sc2ccc(C(=O)[N-]c3nncs3)cc2[N+](=O)[O-])n1 ZINC000021213264 867311022 /nfs/dbraw/zinc/31/10/22/867311022.db2.gz QLYOYHAGYDZCIR-UHFFFAOYSA-N -1 3 379.448 3.615 20 5 GHBDHM Cc1ccc(S[C@@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523550795 867516405 /nfs/dbraw/zinc/51/64/05/867516405.db2.gz ZHRQOTZGSDLAAX-ZDUSSCGKSA-N -1 3 382.445 3.835 20 5 GHBDHM COc1cc(Oc2ccccc2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444965487 867534268 /nfs/dbraw/zinc/53/42/68/867534268.db2.gz KYMWGSXROZCDGT-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM COc1ccc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c([N+](=O)[O-])c1 ZINC000152703398 867871463 /nfs/dbraw/zinc/87/14/63/867871463.db2.gz FKJULPFKSBHGSH-UHFFFAOYSA-N -1 3 399.382 3.699 20 5 GHBDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001194663346 871876705 /nfs/dbraw/zinc/87/67/05/871876705.db2.gz WRASROLQWWDGMM-LLVKDONJSA-N -1 3 378.381 3.828 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2-c2ccccc2Br)c1 ZINC001199828883 875197033 /nfs/dbraw/zinc/19/70/33/875197033.db2.gz XKYKJDSAAPQCRD-UHFFFAOYSA-N -1 3 375.182 3.992 20 5 GHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000785655875 876186225 /nfs/dbraw/zinc/18/62/25/876186225.db2.gz UFUFGBZYNTTZDU-UHFFFAOYSA-N -1 3 392.236 3.930 20 5 GHBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000068659360 878845468 /nfs/dbraw/zinc/84/54/68/878845468.db2.gz BLHIXWDJKLFSPU-GOSISDBHSA-N -1 3 394.387 3.900 20 5 GHBDHM O=c1[n-]c(S/C=C\c2ccc([N+](=O)[O-])o2)nc2c1cnn2-c1ccccc1 ZINC000789317891 878850852 /nfs/dbraw/zinc/85/08/52/878850852.db2.gz JFBXJFSPGWRLGN-HJWRWDBZSA-N -1 3 381.373 3.785 20 5 GHBDHM Cc1cc(Cl)cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000531112732 879159976 /nfs/dbraw/zinc/15/99/76/879159976.db2.gz GGEYAGASMDLCPT-UHFFFAOYSA-N -1 3 386.795 3.915 20 5 GHBDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000531597358 880194430 /nfs/dbraw/zinc/19/44/30/880194430.db2.gz FQCKFSTWMBSWNB-UHFFFAOYSA-N -1 3 380.809 3.781 20 5 GHBDHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001129758997 883161067 /nfs/dbraw/zinc/16/10/67/883161067.db2.gz JLNMZOUHSRDEOC-UHFFFAOYSA-N -1 3 383.191 3.528 20 5 GHBDHM CC(C)c1cccc(OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000499042713 886470823 /nfs/dbraw/zinc/47/08/23/886470823.db2.gz FOGMUHGRMUKIJY-UHFFFAOYSA-N -1 3 380.404 3.548 20 5 GHBDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194654142 893708614 /nfs/dbraw/zinc/70/86/14/893708614.db2.gz COFKPWVAEGUPKQ-UHFFFAOYSA-N -1 3 397.840 3.788 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(F)cc1[N+](=O)[O-] ZINC001185432039 913858926 /nfs/dbraw/zinc/85/89/26/913858926.db2.gz PNPCYFGRILQJJM-UHFFFAOYSA-N -1 3 380.422 3.736 20 5 GHBDHM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)ccc1[N+](=O)[O-] ZINC000800052317 898538730 /nfs/dbraw/zinc/53/87/30/898538730.db2.gz PYFWURYOPQKXRS-UHFFFAOYSA-N -1 3 394.302 3.742 20 5 GHBDHM CCC[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213429 900608438 /nfs/dbraw/zinc/60/84/38/900608438.db2.gz XXISLSRBOYCBBT-IBGZPJMESA-N -1 3 397.475 3.713 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc(F)c3Cl)no2)c1Br ZINC001212837361 903525468 /nfs/dbraw/zinc/52/54/68/903525468.db2.gz HPBPFHVWGPJWHW-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc(F)c3Cl)no2)c1Br ZINC001212837361 903525471 /nfs/dbraw/zinc/52/54/71/903525471.db2.gz HPBPFHVWGPJWHW-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000578750485 904100365 /nfs/dbraw/zinc/10/03/65/904100365.db2.gz NXQKVKQCVWLVDA-UHFFFAOYSA-N -1 3 396.375 3.826 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)c1[N+](=O)[O-] ZINC001180164673 910001479 /nfs/dbraw/zinc/00/14/79/910001479.db2.gz AFGWMYAYHOJXAZ-GFCCVEGCSA-N -1 3 384.841 3.597 20 5 GHBDHM Cc1ncsc1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212937169 911785996 /nfs/dbraw/zinc/78/59/96/911785996.db2.gz RKHBJKUPXOGVIV-UHFFFAOYSA-N -1 3 381.373 3.844 20 5 GHBDHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725819996 926457612 /nfs/dbraw/zinc/45/76/12/926457612.db2.gz HYIGXJROJIAUKE-LLVKDONJSA-N -1 3 384.841 3.686 20 5 GHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000782261824 931145683 /nfs/dbraw/zinc/14/56/83/931145683.db2.gz UPWFJDYQXNGHLW-CMDGGOBGSA-N -1 3 383.223 3.770 20 5 GHBDHM O=C([N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl)c1c[nH]nc1[N+](=O)[O-] ZINC001118021802 934079547 /nfs/dbraw/zinc/07/95/47/934079547.db2.gz RWSBCXBSWCCFSX-QMMMGPOBSA-N -1 3 387.248 3.856 20 5 GHBDHM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575185328 952431857 /nfs/dbraw/zinc/43/18/57/952431857.db2.gz PJWQDDDHIVSHHN-QMMMGPOBSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575185328 952431860 /nfs/dbraw/zinc/43/18/60/952431860.db2.gz PJWQDDDHIVSHHN-QMMMGPOBSA-N -1 3 394.222 3.520 20 5 GHBDHM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2sccc2c([O-])c1 ZINC001154845203 1032306350 /nfs/dbraw/zinc/30/63/50/1032306350.db2.gz QABSCGQJBHGBHF-UHFFFAOYSA-N -1 3 396.428 3.754 20 5 GHBDHM COc1cc(O[C@H](C)Cc2ccco2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645223 1032500105 /nfs/dbraw/zinc/50/01/05/1032500105.db2.gz FVQOECFFULEYSR-LLVKDONJSA-N -1 3 382.368 3.969 20 5 GHBDHM COc1cc(O[C@@H]2CCc3cccnc32)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227647281 1032500576 /nfs/dbraw/zinc/50/05/76/1032500576.db2.gz XRGURAZQCLHSPK-OAHLLOKOSA-N -1 3 391.379 3.827 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCc3cc(Br)ccc32)c2[n-]cnc21 ZINC001227692803 1032518341 /nfs/dbraw/zinc/51/83/41/1032518341.db2.gz DOOCFNPAQWOBLG-GFCCVEGCSA-N -1 3 375.182 3.695 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3C[C@@H]4C[C@H]3N(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228676381 1033038117 /nfs/dbraw/zinc/03/81/17/1033038117.db2.gz DQURSYBYPOLBCR-IUIKQTSFSA-N -1 3 388.424 3.556 20 5 GHBDHM CC[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC001152973594 1031413446 /nfs/dbraw/zinc/41/34/46/1031413446.db2.gz AAHKFQAEXDLDED-INIZCTEOSA-N -1 3 387.342 3.596 20 5 GHBDHM O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001255937030 1041426874 /nfs/dbraw/zinc/42/68/74/1041426874.db2.gz CXEIMTJXXXLGFN-UHFFFAOYSA-N -1 3 381.373 3.553 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c1F ZINC001294630870 1044736843 /nfs/dbraw/zinc/73/68/43/1044736843.db2.gz LEOOXTTXALUHBY-UHFFFAOYSA-N -1 3 399.353 3.644 20 5 GHBDHM CCSc1ccccc1CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309836255 1050996484 /nfs/dbraw/zinc/99/64/84/1050996484.db2.gz BNNULLGCRNHYOB-UHFFFAOYSA-N -1 3 398.481 3.675 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c(Cl)c1 ZINC001320804175 1055968186 /nfs/dbraw/zinc/96/81/86/1055968186.db2.gz ZQMPBEMQSKORNF-UHFFFAOYSA-N -1 3 395.868 3.645 20 5 GHBDHM O=C(Oc1cc(Cl)cnc1Br)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001435712154 1062874911 /nfs/dbraw/zinc/87/49/11/1062874911.db2.gz DEZDKRLNOAFPEL-UHFFFAOYSA-N -1 3 397.572 3.501 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458457555 1063820968 /nfs/dbraw/zinc/82/09/68/1063820968.db2.gz PNQUVXBAMCIIER-UWVGGRQHSA-N -1 3 398.341 3.789 20 5 GHBDHM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463471021 1064382589 /nfs/dbraw/zinc/38/25/89/1064382589.db2.gz KVKXWCAMFWCTDT-KZULUSFZSA-N -1 3 378.425 3.726 20 5 GHBDHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001460729217 1069133551 /nfs/dbraw/zinc/13/35/51/1069133551.db2.gz VKTUKYGJKFPKBY-UHFFFAOYSA-N -1 3 381.219 3.790 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001474878113 1074608209 /nfs/dbraw/zinc/60/82/09/1074608209.db2.gz JIRFOWOZIVDGFV-CYBMUJFWSA-N -1 3 396.440 3.869 20 5 GHBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC001475179609 1074772657 /nfs/dbraw/zinc/77/26/57/1074772657.db2.gz KJQWUTUPCDHHDF-VWYCJHECSA-N -1 3 380.388 3.717 20 5 GHBDHM CCC(CC)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)SC ZINC000820887738 599085417 /nfs/dbraw/zinc/08/54/17/599085417.db2.gz OLDFVSBAJQGXEV-UHFFFAOYSA-N -1 3 387.469 3.657 20 5 GHBDHM CCC(CC)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)SC ZINC000820887738 599085419 /nfs/dbraw/zinc/08/54/19/599085419.db2.gz OLDFVSBAJQGXEV-UHFFFAOYSA-N -1 3 387.469 3.657 20 5 GHBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000736828829 599269008 /nfs/dbraw/zinc/26/90/08/599269008.db2.gz PIFYZFUGBLRAJJ-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000736828829 599269010 /nfs/dbraw/zinc/26/90/10/599269010.db2.gz PIFYZFUGBLRAJJ-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(C)c1 ZINC000822238792 599482351 /nfs/dbraw/zinc/48/23/51/599482351.db2.gz VBEVOBQBDYULMW-UHFFFAOYSA-N -1 3 375.392 3.552 20 5 GHBDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c(C)c1 ZINC000822238792 599482353 /nfs/dbraw/zinc/48/23/53/599482353.db2.gz VBEVOBQBDYULMW-UHFFFAOYSA-N -1 3 375.392 3.552 20 5 GHBDHM C[C@@H](CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820254773 599520664 /nfs/dbraw/zinc/52/06/64/599520664.db2.gz WVZPNQJAFUSVAY-ZDUSSCGKSA-N -1 3 389.419 3.563 20 5 GHBDHM C[C@@H](CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820254773 599520665 /nfs/dbraw/zinc/52/06/65/599520665.db2.gz WVZPNQJAFUSVAY-ZDUSSCGKSA-N -1 3 389.419 3.563 20 5 GHBDHM O=C([O-])[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833166008 600749105 /nfs/dbraw/zinc/74/91/05/600749105.db2.gz NEYWYEDUGXDGNK-OAHLLOKOSA-N -1 3 385.203 3.696 20 5 GHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000822192789 606046423 /nfs/dbraw/zinc/04/64/23/606046423.db2.gz AVHUKZBXYSABTD-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000822192789 606046426 /nfs/dbraw/zinc/04/64/26/606046426.db2.gz AVHUKZBXYSABTD-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(F)(F)F ZINC000823640101 606138036 /nfs/dbraw/zinc/13/80/36/606138036.db2.gz SLDVZKKPSHOVMI-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(F)(F)F ZINC000823640101 606138037 /nfs/dbraw/zinc/13/80/37/606138037.db2.gz SLDVZKKPSHOVMI-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820555426 606328390 /nfs/dbraw/zinc/32/83/90/606328390.db2.gz LEMGEEZEFXFUBV-JTQLQIEISA-N -1 3 395.404 3.678 20 5 GHBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820555426 606328392 /nfs/dbraw/zinc/32/83/92/606328392.db2.gz LEMGEEZEFXFUBV-JTQLQIEISA-N -1 3 395.404 3.678 20 5 GHBDHM COc1ccc2cc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)ccc2c1 ZINC000821854648 606644874 /nfs/dbraw/zinc/64/48/74/606644874.db2.gz QHJKWRYAGHRMSB-UHFFFAOYSA-N -1 3 376.376 3.549 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826497604 608091333 /nfs/dbraw/zinc/09/13/33/608091333.db2.gz NCOXSHCXAREUPR-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826497604 608091334 /nfs/dbraw/zinc/09/13/34/608091334.db2.gz NCOXSHCXAREUPR-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM CCCCCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825268425 608159850 /nfs/dbraw/zinc/15/98/50/608159850.db2.gz UYXVLIMRBHXNDL-UHFFFAOYSA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825268425 608159851 /nfs/dbraw/zinc/15/98/51/608159851.db2.gz UYXVLIMRBHXNDL-UHFFFAOYSA-N -1 3 380.836 3.973 20 5 GHBDHM CC(C)CCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824243464 608160760 /nfs/dbraw/zinc/16/07/60/608160760.db2.gz GWQXQURNTNJFCP-UHFFFAOYSA-N -1 3 380.836 3.973 20 5 GHBDHM CC(C)CCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824243464 608160762 /nfs/dbraw/zinc/16/07/62/608160762.db2.gz GWQXQURNTNJFCP-UHFFFAOYSA-N -1 3 380.836 3.973 20 5 GHBDHM Cc1cccc([C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000826297002 608230976 /nfs/dbraw/zinc/23/09/76/608230976.db2.gz RGJUMRHMFPQQTF-LJQANCHMSA-N -1 3 387.403 3.680 20 5 GHBDHM Cc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000826297002 608230978 /nfs/dbraw/zinc/23/09/78/608230978.db2.gz RGJUMRHMFPQQTF-LJQANCHMSA-N -1 3 387.403 3.680 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)cc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826498027 608464651 /nfs/dbraw/zinc/46/46/51/608464651.db2.gz DVYWGEHNVRKULM-UHFFFAOYSA-N -1 3 396.838 3.718 20 5 GHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000180816589 837572738 /nfs/dbraw/zinc/57/27/38/837572738.db2.gz JAGYLYDXWIRBIZ-UHFFFAOYSA-N -1 3 386.433 3.681 20 5 GHBDHM O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187032374 834973545 /nfs/dbraw/zinc/97/35/45/834973545.db2.gz GSOHRCKGSYXVAJ-LBPRGKRZSA-N -1 3 396.428 3.677 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2cccs2)CC1 ZINC000022681308 835130403 /nfs/dbraw/zinc/13/04/03/835130403.db2.gz QKBFNZRLBFOGNH-INIZCTEOSA-N -1 3 389.477 3.565 20 5 GHBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000188232526 835497150 /nfs/dbraw/zinc/49/71/50/835497150.db2.gz MNWUESJDONRAPX-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000432878257 844090574 /nfs/dbraw/zinc/09/05/74/844090574.db2.gz PNNILPYNNYQSOT-UHFFFAOYSA-N -1 3 392.415 3.570 20 5 GHBDHM COc1cc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c([N+](=O)[O-])cc1[O-] ZINC000375829269 836025252 /nfs/dbraw/zinc/02/52/52/836025252.db2.gz IWECEQCGXBBFIS-INIZCTEOSA-N -1 3 386.452 3.788 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180288067 836995990 /nfs/dbraw/zinc/99/59/90/836995990.db2.gz RBHBALOLWYNXLV-UHFFFAOYSA-N -1 3 376.221 3.714 20 5 GHBDHM CSCc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000511413697 837135398 /nfs/dbraw/zinc/13/53/98/837135398.db2.gz ISAREFIHZVQPMB-UHFFFAOYSA-N -1 3 386.882 3.590 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)n1 ZINC000110249516 838544496 /nfs/dbraw/zinc/54/44/96/838544496.db2.gz NSDQQJVOFZLVSF-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1coc(C2CCCCC2)n1 ZINC000549195139 839258593 /nfs/dbraw/zinc/25/85/93/839258593.db2.gz XVWZHAPLRYFESW-UHFFFAOYSA-N -1 3 381.392 3.695 20 5 GHBDHM C[C@H](Nc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000053762492 840486699 /nfs/dbraw/zinc/48/66/99/840486699.db2.gz CKPNASDXOFPLHK-LBPRGKRZSA-N -1 3 379.376 3.516 20 5 GHBDHM CO[C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000417637500 841088781 /nfs/dbraw/zinc/08/87/81/841088781.db2.gz NHDSQBVLJGFOQB-CYBMUJFWSA-N -1 3 394.811 3.620 20 5 GHBDHM Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC(F)F ZINC000302148692 861218478 /nfs/dbraw/zinc/21/84/78/861218478.db2.gz HGSVWAIHAVWSJP-UHFFFAOYSA-N -1 3 378.378 3.713 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461115844 842985908 /nfs/dbraw/zinc/98/59/08/842985908.db2.gz YLSOSXAGHLBESN-UHFFFAOYSA-N -1 3 399.266 3.650 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000509817660 843854708 /nfs/dbraw/zinc/85/47/08/843854708.db2.gz CHBMNNKYOISKAQ-ZDUSSCGKSA-N -1 3 388.367 3.875 20 5 GHBDHM O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCc2cccc([O-])c21 ZINC000182946961 845716275 /nfs/dbraw/zinc/71/62/75/845716275.db2.gz HWZMJBNCGHDBCM-UHFFFAOYSA-N -1 3 377.194 3.656 20 5 GHBDHM CCc1cccc2c(CC(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c[nH]c21 ZINC000518878191 850275412 /nfs/dbraw/zinc/27/54/12/850275412.db2.gz FOHWJFGRESDSQJ-UHFFFAOYSA-N -1 3 389.415 3.632 20 5 GHBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000439879804 850537358 /nfs/dbraw/zinc/53/73/58/850537358.db2.gz ZWOFIOOVWAHGAB-UHFFFAOYSA-N -1 3 395.371 3.535 20 5 GHBDHM O=C(Nc1cccc(OCCc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506176961 852016721 /nfs/dbraw/zinc/01/67/21/852016721.db2.gz PUWLUNSMCPTTED-UHFFFAOYSA-N -1 3 379.372 3.569 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000506209656 852274778 /nfs/dbraw/zinc/27/47/78/852274778.db2.gz KXMBQYRNJOAMHD-UHFFFAOYSA-N -1 3 383.433 3.556 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000436766777 852322367 /nfs/dbraw/zinc/32/23/67/852322367.db2.gz FMVYEGHUGYRHGB-UHFFFAOYSA-N -1 3 392.415 3.565 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732578814 862373109 /nfs/dbraw/zinc/37/31/09/862373109.db2.gz SIUUPELQBGKQSW-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000163412779 862403877 /nfs/dbraw/zinc/40/38/77/862403877.db2.gz FFJJQSFJQOPHEG-RDJZCZTQSA-N -1 3 383.448 3.598 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)ccc1[N+](=O)[O-] ZINC000171237525 856056809 /nfs/dbraw/zinc/05/68/09/856056809.db2.gz PNAYJZVSEVXCCN-UHFFFAOYSA-N -1 3 376.419 3.744 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000485939925 857231854 /nfs/dbraw/zinc/23/18/54/857231854.db2.gz YQQGHKNSSHANJW-CYBMUJFWSA-N -1 3 388.367 3.528 20 5 GHBDHM Cc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)sc2nccc(C)c12 ZINC000522357488 859176833 /nfs/dbraw/zinc/17/68/33/859176833.db2.gz QHUPSHVCJILBIC-UHFFFAOYSA-N -1 3 393.428 3.886 20 5 GHBDHM COc1cc(-c2nc3cccnc3n2Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000155205195 860438846 /nfs/dbraw/zinc/43/88/46/860438846.db2.gz AILROEZKVXKHOE-UHFFFAOYSA-N -1 3 376.372 3.769 20 5 GHBDHM C[C@H](CCc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992504 865098060 /nfs/dbraw/zinc/09/80/60/865098060.db2.gz HXZPPDYRVFMWBV-CYBMUJFWSA-N -1 3 389.419 3.756 20 5 GHBDHM C[C@H](CCc1ccccc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992504 865098070 /nfs/dbraw/zinc/09/80/70/865098070.db2.gz HXZPPDYRVFMWBV-CYBMUJFWSA-N -1 3 389.419 3.756 20 5 GHBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741759063 866766742 /nfs/dbraw/zinc/76/67/42/866766742.db2.gz WGNKMTPJLPFEOX-GXFFZTMASA-N -1 3 391.287 3.604 20 5 GHBDHM CC(C)c1ccccc1OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523163533 866814909 /nfs/dbraw/zinc/81/49/09/866814909.db2.gz QSQBVNLZAOMAPT-UHFFFAOYSA-N -1 3 380.404 3.548 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2c(F)ccc(OCC)c2F)cc([N+](=O)[O-])c1 ZINC000534773072 867447900 /nfs/dbraw/zinc/44/79/00/867447900.db2.gz SMDXTAXQWBCICU-UHFFFAOYSA-N -1 3 394.330 3.701 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(F)ccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000743198326 867948350 /nfs/dbraw/zinc/94/83/50/867948350.db2.gz URFIDJVTHTWBTE-QMMMGPOBSA-N -1 3 391.380 3.979 20 5 GHBDHM CN(Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000447705709 872159498 /nfs/dbraw/zinc/15/94/98/872159498.db2.gz DGRRACDWWJQOMM-UHFFFAOYSA-N -1 3 378.388 3.584 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000443424193 872493242 /nfs/dbraw/zinc/49/32/42/872493242.db2.gz UDJJENAADYGNAR-UHFFFAOYSA-N -1 3 377.466 3.641 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(Cl)c2I)c1 ZINC001199802447 875194401 /nfs/dbraw/zinc/19/44/01/875194401.db2.gz PIQPUELEFLCSOC-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000786032576 876418427 /nfs/dbraw/zinc/41/84/27/876418427.db2.gz DLXGFRIWCIGVIS-QMMMGPOBSA-N -1 3 377.740 3.507 20 5 GHBDHM O=C(Oc1cc(Br)cc(F)c1F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000786732134 876891208 /nfs/dbraw/zinc/89/12/08/876891208.db2.gz ONZYMQYMVAYNSG-UHFFFAOYSA-N -1 3 398.119 3.731 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000851709320 877873296 /nfs/dbraw/zinc/87/32/96/877873296.db2.gz WVERSYXWGQDFHF-OAHLLOKOSA-N -1 3 385.376 3.581 20 5 GHBDHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000788216638 877923603 /nfs/dbraw/zinc/92/36/03/877923603.db2.gz MTBFNBZITSQSNQ-UHFFFAOYSA-N -1 3 398.824 3.616 20 5 GHBDHM CCc1ccc([O-])c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000530589142 878123800 /nfs/dbraw/zinc/12/38/00/878123800.db2.gz NSHICJWNVKUFKP-UHFFFAOYSA-N -1 3 382.319 3.725 20 5 GHBDHM Cc1c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2n1C ZINC000789736532 879254358 /nfs/dbraw/zinc/25/43/58/879254358.db2.gz ARESDWGWIZUSGB-UHFFFAOYSA-N -1 3 379.825 3.849 20 5 GHBDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC000493952335 879768156 /nfs/dbraw/zinc/76/81/56/879768156.db2.gz JWJYZQAXNPEJIJ-UHFFFAOYSA-N -1 3 381.454 3.582 20 5 GHBDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000475831984 884815898 /nfs/dbraw/zinc/81/58/98/884815898.db2.gz MBGOJYPJGWJLQJ-UHFFFAOYSA-N -1 3 382.825 3.950 20 5 GHBDHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193623056 886991779 /nfs/dbraw/zinc/99/17/79/886991779.db2.gz LCRZORNKDUAHTA-UHFFFAOYSA-N -1 3 379.372 3.665 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820454997 897332307 /nfs/dbraw/zinc/33/23/07/897332307.db2.gz AQEMHYOKQDOMHP-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820454997 897332323 /nfs/dbraw/zinc/33/23/23/897332323.db2.gz AQEMHYOKQDOMHP-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000800051765 898537964 /nfs/dbraw/zinc/53/79/64/898537964.db2.gz RSWXOMDSWZIPDM-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001186123131 914292423 /nfs/dbraw/zinc/29/24/23/914292423.db2.gz AZRQYLOIWJRMMU-UHFFFAOYSA-N -1 3 382.869 3.813 20 5 GHBDHM O=C([N-]c1nc(-c2ccccc2C(F)(F)F)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC001136884439 899636450 /nfs/dbraw/zinc/63/64/50/899636450.db2.gz IFBGNJPVFPHNLR-UHFFFAOYSA-N -1 3 383.311 3.713 20 5 GHBDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000825352357 900119817 /nfs/dbraw/zinc/11/98/17/900119817.db2.gz MMBULDAPBRWIBM-UHFFFAOYSA-N -1 3 383.799 3.855 20 5 GHBDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000825352357 900119821 /nfs/dbraw/zinc/11/98/21/900119821.db2.gz MMBULDAPBRWIBM-UHFFFAOYSA-N -1 3 383.799 3.855 20 5 GHBDHM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccc(C)cc1[O-] ZINC001148500566 904099762 /nfs/dbraw/zinc/09/97/62/904099762.db2.gz PTMHOYDKPVERFT-UHFFFAOYSA-N -1 3 387.439 3.957 20 5 GHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]cc1Br ZINC000579624243 904745141 /nfs/dbraw/zinc/74/51/41/904745141.db2.gz TXFQLPJJXVSYCA-UHFFFAOYSA-N -1 3 399.270 3.503 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(Cl)cc3F)no2)[n-]nc1C(F)(F)F ZINC001212972793 916164442 /nfs/dbraw/zinc/16/44/42/916164442.db2.gz KMBVQMVTTJEOBF-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001191044040 917748629 /nfs/dbraw/zinc/74/86/29/917748629.db2.gz FAOPBORILRSZLB-HZMBPMFUSA-N -1 3 380.388 3.861 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000903631129 923140002 /nfs/dbraw/zinc/14/00/02/923140002.db2.gz KHQIVAMKJAGAIY-CYBMUJFWSA-N -1 3 387.461 3.618 20 5 GHBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000751985144 928530394 /nfs/dbraw/zinc/53/03/94/928530394.db2.gz AYTDRKLGWOXGNA-SNVBAGLBSA-N -1 3 399.812 3.504 20 5 GHBDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557861045 931728109 /nfs/dbraw/zinc/72/81/09/931728109.db2.gz JFPKDBIFGIGWRY-ZDUSSCGKSA-N -1 3 398.868 3.522 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])c(F)cc1C ZINC000560143629 933094016 /nfs/dbraw/zinc/09/40/16/933094016.db2.gz ZNNMBQLKVYXOFU-UHFFFAOYSA-N -1 3 390.367 3.870 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c(Cl)c1 ZINC001116707856 933715632 /nfs/dbraw/zinc/71/56/32/933715632.db2.gz UOAIXWZAXANADW-UHFFFAOYSA-N -1 3 376.768 3.664 20 5 GHBDHM CC(C)Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)cc1 ZINC001625778482 1014151663 /nfs/dbraw/zinc/15/16/63/1014151663.db2.gz NIYHLWRXZSJLHW-IBGZPJMESA-N -1 3 385.464 3.532 20 5 GHBDHM CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598525343 992712579 /nfs/dbraw/zinc/71/25/79/992712579.db2.gz BRPHBKYWNZYGOB-OAHLLOKOSA-N -1 3 379.210 3.615 20 5 GHBDHM C[C@@](NCc1ccc(CC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593296783 994699520 /nfs/dbraw/zinc/69/95/20/994699520.db2.gz PZYZOUUMAOCQCP-KRWDZBQOSA-N -1 3 382.338 3.789 20 5 GHBDHM COc1cc(OCCOC2CCCC2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227645341 1032499882 /nfs/dbraw/zinc/49/98/82/1032499882.db2.gz GLSKKHXAJRQVOB-UHFFFAOYSA-N -1 3 386.400 3.704 20 5 GHBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740901 1032538495 /nfs/dbraw/zinc/53/84/95/1032538495.db2.gz CIVAQDZSLITALA-BLLLJJGKSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740901 1032538500 /nfs/dbraw/zinc/53/85/00/1032538500.db2.gz CIVAQDZSLITALA-BLLLJJGKSA-N -1 3 390.440 3.886 20 5 GHBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227746346 1032540078 /nfs/dbraw/zinc/54/00/78/1032540078.db2.gz RPUBCFAOPZTFGW-ZDUSSCGKSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227746346 1032540082 /nfs/dbraw/zinc/54/00/82/1032540082.db2.gz RPUBCFAOPZTFGW-ZDUSSCGKSA-N -1 3 388.424 3.640 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3C[C@H]4C[C@@H]3CN4C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228672711 1033037474 /nfs/dbraw/zinc/03/74/74/1033037474.db2.gz ABKFHGOQZWHCHD-XHBSWPGZSA-N -1 3 388.424 3.556 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3C[C@@H](C(=O)OCc4ccccc4)C3)nc2cc1[N+](=O)[O-] ZINC001228676438 1033038198 /nfs/dbraw/zinc/03/81/98/1033038198.db2.gz FYDCQVPVEYKADU-GASCZTMLSA-N -1 3 381.388 3.680 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC001228686673 1033044716 /nfs/dbraw/zinc/04/47/16/1033044716.db2.gz PYZMSKWSDHQQLP-HXUWFJFHSA-N -1 3 394.383 3.867 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228686720 1033044130 /nfs/dbraw/zinc/04/41/30/1033044130.db2.gz QOAWQMGRNSYTEW-LBPRGKRZSA-N -1 3 381.182 3.669 20 5 GHBDHM O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228861839 1033144753 /nfs/dbraw/zinc/14/47/53/1033144753.db2.gz ICZMJARPBBXTBC-ZDUSSCGKSA-N -1 3 397.353 3.758 20 5 GHBDHM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001228861839 1033144763 /nfs/dbraw/zinc/14/47/63/1033144763.db2.gz ICZMJARPBBXTBC-ZDUSSCGKSA-N -1 3 397.353 3.758 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(NC(=O)OC(C)(C)C)ccc2F)n1 ZINC000756646860 1023752968 /nfs/dbraw/zinc/75/29/68/1023752968.db2.gz RYGOCCNDLSXFDW-UHFFFAOYSA-N -1 3 393.375 3.550 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001210804065 1027656365 /nfs/dbraw/zinc/65/63/65/1027656365.db2.gz QXQJWBXLKBNFNW-HNNXBMFYSA-N -1 3 378.425 3.743 20 5 GHBDHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001208695020 1034982978 /nfs/dbraw/zinc/98/29/78/1034982978.db2.gz YSDRMPGSCXRVFP-UHFFFAOYSA-N -1 3 382.869 3.813 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(O[C@@H](C)C4CC4)c(OC)c3oc-2c1 ZINC001234758837 1040288154 /nfs/dbraw/zinc/28/81/54/1040288154.db2.gz WBHWDOBZSZGLOU-JTQLQIEISA-N -1 3 386.400 3.855 20 5 GHBDHM COc1cc([O-])c2c(c1)oc1c(cc(OC)c(O[C@@H](C)C3CC3)c1OC)c2=O ZINC001234758837 1040288171 /nfs/dbraw/zinc/28/81/71/1040288171.db2.gz WBHWDOBZSZGLOU-JTQLQIEISA-N -1 3 386.400 3.855 20 5 GHBDHM CC(C)Oc1ccc(-c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001256909365 1043735113 /nfs/dbraw/zinc/73/51/13/1043735113.db2.gz DRVTWWOHFBGVRS-UHFFFAOYSA-N -1 3 383.286 3.841 20 5 GHBDHM CC(C)Oc1ccc(-c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001256909365 1043735122 /nfs/dbraw/zinc/73/51/22/1043735122.db2.gz DRVTWWOHFBGVRS-UHFFFAOYSA-N -1 3 383.286 3.841 20 5 GHBDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462896182 1070636017 /nfs/dbraw/zinc/63/60/17/1070636017.db2.gz MZSNNPLWOBWGQJ-VIFPVBQESA-N -1 3 394.396 3.585 20 5 GHBDHM O=c1[n-]ccc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1[N+](=O)[O-] ZINC001306918439 1048959042 /nfs/dbraw/zinc/95/90/42/1048959042.db2.gz PBSKYKWNKDOHQD-UHFFFAOYSA-N -1 3 391.718 3.562 20 5 GHBDHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309269648 1050541175 /nfs/dbraw/zinc/54/11/75/1050541175.db2.gz BLAVCJIJHUXBLC-UHFFFAOYSA-N -1 3 382.404 3.964 20 5 GHBDHM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)C1 ZINC001309666014 1050908584 /nfs/dbraw/zinc/90/85/84/1050908584.db2.gz NPKVGGLSBAWVIB-GHMZBOCLSA-N -1 3 394.415 3.964 20 5 GHBDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001463369283 1064288826 /nfs/dbraw/zinc/28/88/26/1064288826.db2.gz BMQVYDBHTMCLFA-HNNXBMFYSA-N -1 3 396.852 3.613 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001475614869 1074928072 /nfs/dbraw/zinc/92/80/72/1074928072.db2.gz KTSRDPVHQPXLIU-HZPDHXFCSA-N -1 3 378.425 3.516 20 5 GHBDHM CC(C)CCOc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735819800 598243739 /nfs/dbraw/zinc/24/37/39/598243739.db2.gz LRSFJQOAWBXTEA-ZDUSSCGKSA-N -1 3 397.439 3.768 20 5 GHBDHM CC(C)CCOc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735819800 598243741 /nfs/dbraw/zinc/24/37/41/598243741.db2.gz LRSFJQOAWBXTEA-ZDUSSCGKSA-N -1 3 397.439 3.768 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140398 599323188 /nfs/dbraw/zinc/32/31/88/599323188.db2.gz VNMGGSKGWMBOKP-SECBINFHSA-N -1 3 376.323 3.549 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140398 599323192 /nfs/dbraw/zinc/32/31/92/599323192.db2.gz VNMGGSKGWMBOKP-SECBINFHSA-N -1 3 376.323 3.549 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820460773 599354306 /nfs/dbraw/zinc/35/43/06/599354306.db2.gz BWCTVZSJOHAMHS-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820460773 599354308 /nfs/dbraw/zinc/35/43/08/599354308.db2.gz BWCTVZSJOHAMHS-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ccc(F)cc43)cc(-c3nnn[n-]3)c2c1 ZINC000823646069 599543856 /nfs/dbraw/zinc/54/38/56/599543856.db2.gz ZLYCNCNROYOIKL-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4ccc(F)cc43)cc(-c3nn[n-]n3)c2c1 ZINC000823646069 599543858 /nfs/dbraw/zinc/54/38/58/599543858.db2.gz ZLYCNCNROYOIKL-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823640149 599580526 /nfs/dbraw/zinc/58/05/26/599580526.db2.gz VJCJGAWSWMGIPW-GFCCVEGCSA-N -1 3 399.842 3.509 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823640149 599580529 /nfs/dbraw/zinc/58/05/29/599580529.db2.gz VJCJGAWSWMGIPW-GFCCVEGCSA-N -1 3 399.842 3.509 20 5 GHBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000826244264 607432232 /nfs/dbraw/zinc/43/22/32/607432232.db2.gz MBPAWDVZOJSLIJ-UHFFFAOYSA-N -1 3 392.419 3.673 20 5 GHBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000826244264 607432234 /nfs/dbraw/zinc/43/22/34/607432234.db2.gz MBPAWDVZOJSLIJ-UHFFFAOYSA-N -1 3 392.419 3.673 20 5 GHBDHM O=[N+]([O-])c1ccccc1CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000823647244 606156338 /nfs/dbraw/zinc/15/63/38/606156338.db2.gz ISHJVXHLAUKXEK-UHFFFAOYSA-N -1 3 389.375 3.574 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555368 606354689 /nfs/dbraw/zinc/35/46/89/606354689.db2.gz JZOQDISOLIBQKA-NWDGAFQWSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555368 606354691 /nfs/dbraw/zinc/35/46/91/606354691.db2.gz JZOQDISOLIBQKA-NWDGAFQWSA-N -1 3 399.432 3.560 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nnn[n-]3)s2)c2ccncc2)cc1 ZINC000823634497 606389635 /nfs/dbraw/zinc/38/96/35/606389635.db2.gz IEFXMDWKORYICC-LFIBNONCSA-N -1 3 376.401 3.820 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823640008 606722220 /nfs/dbraw/zinc/72/22/20/606722220.db2.gz OZIZRPUCTGBKQL-IBGZPJMESA-N -1 3 389.419 3.988 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823640008 606722222 /nfs/dbraw/zinc/72/22/22/606722222.db2.gz OZIZRPUCTGBKQL-IBGZPJMESA-N -1 3 389.419 3.988 20 5 GHBDHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825114483 608162710 /nfs/dbraw/zinc/16/27/10/608162710.db2.gz NDFOUPPWGHUEDZ-LLVKDONJSA-N -1 3 392.847 3.973 20 5 GHBDHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825114483 608162712 /nfs/dbraw/zinc/16/27/12/608162712.db2.gz NDFOUPPWGHUEDZ-LLVKDONJSA-N -1 3 392.847 3.973 20 5 GHBDHM CCCCCC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825272198 608162849 /nfs/dbraw/zinc/16/28/49/608162849.db2.gz YVKZOTJKQPYINL-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825272198 608162851 /nfs/dbraw/zinc/16/28/51/608162851.db2.gz YVKZOTJKQPYINL-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM Cc1cccc2cc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)oc21 ZINC000826305410 608163336 /nfs/dbraw/zinc/16/33/36/608163336.db2.gz VKWJKONHQPXOFM-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM Cc1cccc2cc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)oc21 ZINC000826305410 608163340 /nfs/dbraw/zinc/16/33/40/608163340.db2.gz VKWJKONHQPXOFM-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000540471952 608538705 /nfs/dbraw/zinc/53/87/05/608538705.db2.gz PQUNTPDETVVYRY-UHFFFAOYSA-N -1 3 384.421 3.528 20 5 GHBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000540471952 608538707 /nfs/dbraw/zinc/53/87/07/608538707.db2.gz PQUNTPDETVVYRY-UHFFFAOYSA-N -1 3 384.421 3.528 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1csc(C(F)(F)F)n1 ZINC000472930782 838282175 /nfs/dbraw/zinc/28/21/75/838282175.db2.gz ULEZUIARKRKGJB-UHFFFAOYSA-N -1 3 383.254 3.924 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000063263063 841404644 /nfs/dbraw/zinc/40/46/44/841404644.db2.gz RDZBQWCCWXCQDJ-UHFFFAOYSA-N -1 3 381.841 3.870 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c(Cl)c1 ZINC000511922946 842436536 /nfs/dbraw/zinc/43/65/36/842436536.db2.gz NSQLEVCZHZCIJW-CQSZACIVSA-N -1 3 387.244 3.867 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000843590031 843529196 /nfs/dbraw/zinc/52/91/96/843529196.db2.gz NAQGVCONZOIHIP-UHFFFAOYSA-N -1 3 375.356 3.645 20 5 GHBDHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc(=O)[n-]1 ZINC000509842846 843966029 /nfs/dbraw/zinc/96/60/29/843966029.db2.gz ATKBOAQDEXZOOM-LBPRGKRZSA-N -1 3 393.403 3.949 20 5 GHBDHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433752075 845300553 /nfs/dbraw/zinc/30/05/53/845300553.db2.gz UNEFBEGMSLWVJT-UHFFFAOYSA-N -1 3 394.453 3.803 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)c(F)c1 ZINC000604017898 861587951 /nfs/dbraw/zinc/58/79/51/861587951.db2.gz RGZMHPNAQKLGHM-UHFFFAOYSA-N -1 3 386.404 3.802 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000604025550 861628891 /nfs/dbraw/zinc/62/88/91/861628891.db2.gz NOQKCXXVMRYRNG-ZDUSSCGKSA-N -1 3 380.853 3.647 20 5 GHBDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001211543336 847007329 /nfs/dbraw/zinc/00/73/29/847007329.db2.gz LDXDQDCVNUWXDE-JTQLQIEISA-N -1 3 391.287 3.604 20 5 GHBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cs1 ZINC000176704546 847830389 /nfs/dbraw/zinc/83/03/89/847830389.db2.gz TWTVEBDUZMIEDJ-SECBINFHSA-N -1 3 389.886 3.615 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435592066 850680791 /nfs/dbraw/zinc/68/07/91/850680791.db2.gz JDUNPNFCMBQEMJ-UMSPYCQHSA-N -1 3 384.816 3.612 20 5 GHBDHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000604522103 862243486 /nfs/dbraw/zinc/24/34/86/862243486.db2.gz YRLJXWARXSNADZ-UHFFFAOYSA-N -1 3 377.187 3.966 20 5 GHBDHM COc1cc(-c2nc3ccc(Br)cc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000436857241 852402920 /nfs/dbraw/zinc/40/29/20/852402920.db2.gz PGWZHXFDALYVQL-UHFFFAOYSA-N -1 3 378.182 3.625 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000426797830 852407078 /nfs/dbraw/zinc/40/70/78/852407078.db2.gz GSDKCQMLUYJVJS-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM Cc1ccc(-c2nc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])cs2)cc1 ZINC000426812016 852421890 /nfs/dbraw/zinc/42/18/90/852421890.db2.gz WCRPTFHLWVFWPP-KRWDZBQOSA-N -1 3 397.456 3.812 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000507287454 852762473 /nfs/dbraw/zinc/76/24/73/852762473.db2.gz YPTRXYQXLMOIHY-UHFFFAOYSA-N -1 3 389.260 3.731 20 5 GHBDHM CCc1ccc(-c2csc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])n2)s1 ZINC000427125967 852763221 /nfs/dbraw/zinc/76/32/21/852763221.db2.gz JCWBGUMQLQTICK-UHFFFAOYSA-N -1 3 377.451 3.811 20 5 GHBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1[O-] ZINC000588097059 854125807 /nfs/dbraw/zinc/12/58/07/854125807.db2.gz UZUXYQDIHLRHLW-UHFFFAOYSA-N -1 3 385.159 3.646 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1C ZINC000508236899 857106582 /nfs/dbraw/zinc/10/65/82/857106582.db2.gz ZLAWCUOWENQRFH-UHFFFAOYSA-N -1 3 381.429 3.972 20 5 GHBDHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596080721 858774568 /nfs/dbraw/zinc/77/45/68/858774568.db2.gz LMZWRECNRZYIHJ-UHFFFAOYSA-N -1 3 381.436 3.935 20 5 GHBDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000484797943 860356670 /nfs/dbraw/zinc/35/66/70/860356670.db2.gz UQIDXFLDAJPIBK-ZYHUDNBSSA-N -1 3 378.903 3.591 20 5 GHBDHM CCOc1cc([N-]C(=O)c2oc(CC3CC3)nc2C)c([N+](=O)[O-])cc1OCC ZINC000475469333 865911011 /nfs/dbraw/zinc/91/10/11/865911011.db2.gz OLASEYDKFJNJQY-UHFFFAOYSA-N -1 3 389.408 3.893 20 5 GHBDHM Cc1ccccc1COc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445011469 867597997 /nfs/dbraw/zinc/59/79/97/867597997.db2.gz PVBMKDLGCYDPTN-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM COc1cc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000445821620 869033322 /nfs/dbraw/zinc/03/33/22/869033322.db2.gz XWTJKKPGNUSCKX-UHFFFAOYSA-N -1 3 385.376 3.575 20 5 GHBDHM CCC([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC001192542864 870503350 /nfs/dbraw/zinc/50/33/50/870503350.db2.gz ATLUXTGRPBFUPD-UHFFFAOYSA-N -1 3 392.399 3.861 20 5 GHBDHM O=C(Nc1ccccc1O)c1ccc(C(=O)Nc2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000069370324 870688285 /nfs/dbraw/zinc/68/82/85/870688285.db2.gz AWTFOKSUANIPFA-UHFFFAOYSA-N -1 3 393.355 3.511 20 5 GHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000478078553 872454605 /nfs/dbraw/zinc/45/46/05/872454605.db2.gz QJCUNIZFXJQLGE-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM COC(=O)Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201229223 875565600 /nfs/dbraw/zinc/56/56/00/875565600.db2.gz IGZWCOWQKWEEKL-UHFFFAOYSA-N -1 3 381.182 3.522 20 5 GHBDHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786140419 876469329 /nfs/dbraw/zinc/46/93/29/876469329.db2.gz PMDYOJGROBFDAC-SNVBAGLBSA-N -1 3 386.385 3.699 20 5 GHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 ZINC000791204265 880276529 /nfs/dbraw/zinc/27/65/29/880276529.db2.gz ICOUZTXZBOORLK-UHFFFAOYSA-N -1 3 381.433 3.807 20 5 GHBDHM Cc1[nH]c2ccc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cc2c1C ZINC000499037526 886433344 /nfs/dbraw/zinc/43/33/44/886433344.db2.gz MDORSJLJKANOFY-UHFFFAOYSA-N -1 3 375.388 3.757 20 5 GHBDHM O=C([N-]OCCCC(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000871213178 890697106 /nfs/dbraw/zinc/69/71/06/890697106.db2.gz LMJZOSJGLJNVAL-UHFFFAOYSA-N -1 3 389.099 3.500 20 5 GHBDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001137107401 893186730 /nfs/dbraw/zinc/18/67/30/893186730.db2.gz PDWUGZDSJXQUOG-UHFFFAOYSA-N -1 3 390.421 3.554 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000800150897 898669844 /nfs/dbraw/zinc/66/98/44/898669844.db2.gz DBERUBPXMIRXTH-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(CN3CCCCC3)cs2)c1F ZINC000823215238 898907776 /nfs/dbraw/zinc/90/77/76/898907776.db2.gz MBEBMNNUJAUXHL-UHFFFAOYSA-N -1 3 396.419 3.876 20 5 GHBDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000303132772 914338037 /nfs/dbraw/zinc/33/80/37/914338037.db2.gz KPMXFKFCRKXQGW-UHFFFAOYSA-N -1 3 380.853 3.567 20 5 GHBDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000182735826 907258594 /nfs/dbraw/zinc/25/85/94/907258594.db2.gz UVGLJBNKCMLQKR-OAHLLOKOSA-N -1 3 379.438 3.538 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)c(Br)c2)no1 ZINC001212935606 911769338 /nfs/dbraw/zinc/76/93/38/911769338.db2.gz CHQQSNQCYPGOOC-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1C ZINC001190789139 917566944 /nfs/dbraw/zinc/56/69/44/917566944.db2.gz PHWRHRDOIDHMLE-CYBMUJFWSA-N -1 3 376.425 3.706 20 5 GHBDHM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190898286 917640052 /nfs/dbraw/zinc/64/00/52/917640052.db2.gz TWSPCFAQHHUFBU-UHFFFAOYSA-N -1 3 392.484 3.958 20 5 GHBDHM C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001191844836 918261705 /nfs/dbraw/zinc/26/17/05/918261705.db2.gz FWBJWYPATTYSBR-XOBRGWDASA-N -1 3 393.484 3.864 20 5 GHBDHM COc1cc2c(cc1F)CC[C@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000801082924 920765908 /nfs/dbraw/zinc/76/59/08/920765908.db2.gz LTKWJVATNZBFTG-OAHLLOKOSA-N -1 3 380.322 3.638 20 5 GHBDHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)Cc1cccc(F)c1 ZINC000470561940 930714113 /nfs/dbraw/zinc/71/41/13/930714113.db2.gz CJKZSGPXSVRNBJ-ZDUSSCGKSA-N -1 3 382.395 3.753 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000782517517 931252547 /nfs/dbraw/zinc/25/25/47/931252547.db2.gz NRXRJCWVXNTJSV-SNVBAGLBSA-N -1 3 388.795 3.812 20 5 GHBDHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000559145401 932462142 /nfs/dbraw/zinc/46/21/42/932462142.db2.gz JIFQLHCPEJURMU-FUHWJXTLSA-N -1 3 379.819 3.628 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1[N+](=O)[O-] ZINC001116745252 933733189 /nfs/dbraw/zinc/73/31/89/933733189.db2.gz HSOLSGNULTXICH-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM O=C([N-][C@@H]1CCCOc2ccc(F)cc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777955374 934377008 /nfs/dbraw/zinc/37/70/08/934377008.db2.gz YGWHSMWKGMSRMN-OAHLLOKOSA-N -1 3 380.322 3.856 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000903907349 981032960 /nfs/dbraw/zinc/03/29/60/981032960.db2.gz VNXITIUIHZYJAO-YWPYICTPSA-N -1 3 397.269 3.823 20 5 GHBDHM CCCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC001595899788 982949526 /nfs/dbraw/zinc/94/95/26/982949526.db2.gz KLCONFATAFVHAY-KRWDZBQOSA-N -1 3 399.447 3.743 20 5 GHBDHM C[C@@H](NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001593305145 994760326 /nfs/dbraw/zinc/76/03/26/994760326.db2.gz XASKMYQZELOJBH-LLVKDONJSA-N -1 3 398.444 3.850 20 5 GHBDHM C[C@@](NCc1cccc(OCC(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305600 994765096 /nfs/dbraw/zinc/76/50/96/994765096.db2.gz YAKYEOYGDLPQDP-KRWDZBQOSA-N -1 3 398.337 3.626 20 5 GHBDHM COc1ccc(COc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1OC1CCCC1 ZINC001227692804 1032518307 /nfs/dbraw/zinc/51/83/07/1032518307.db2.gz DPQLFJSOLTUUKM-UHFFFAOYSA-N -1 3 384.392 3.775 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@H](F)C1 ZINC001227741594 1032538514 /nfs/dbraw/zinc/53/85/14/1032538514.db2.gz OUIHZCOXVVGMEC-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@H](F)C1 ZINC001227741594 1032538521 /nfs/dbraw/zinc/53/85/21/1032538521.db2.gz OUIHZCOXVVGMEC-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)[n-]c2c1 ZINC001227743722 1032540287 /nfs/dbraw/zinc/54/02/87/1032540287.db2.gz WQUBCEQREZGASX-NSHDSACASA-N -1 3 393.856 3.624 20 5 GHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)nc2c1 ZINC001227743722 1032540290 /nfs/dbraw/zinc/54/02/90/1032540290.db2.gz WQUBCEQREZGASX-NSHDSACASA-N -1 3 393.856 3.624 20 5 GHBDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001228960222 1033200800 /nfs/dbraw/zinc/20/08/00/1033200800.db2.gz YGTZZNGCEGXBCS-HXUWFJFHSA-N -1 3 387.388 3.844 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001211477084 1027978766 /nfs/dbraw/zinc/97/87/66/1027978766.db2.gz MJPUEIIGAJWZRN-AWEZNQCLSA-N -1 3 380.388 3.693 20 5 GHBDHM COCc1cc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001225937470 1031703132 /nfs/dbraw/zinc/70/31/32/1031703132.db2.gz HEWWGRSAVQTBAK-SFHVURJKSA-N -1 3 383.429 3.988 20 5 GHBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001209694726 1035358620 /nfs/dbraw/zinc/35/86/20/1035358620.db2.gz VSYHYOMXDBQWNA-SCVCMEIPSA-N -1 3 380.388 3.717 20 5 GHBDHM COc1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c(Br)c1 ZINC001462258138 1070126949 /nfs/dbraw/zinc/12/69/49/1070126949.db2.gz XAIOWVXDYJUUKW-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM Cc1ccc2cccc(-c3noc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4)n3)c2n1 ZINC001247999881 1038532249 /nfs/dbraw/zinc/53/22/49/1038532249.db2.gz OMYHWVMDWIEHOY-UHFFFAOYSA-N -1 3 375.344 3.754 20 5 GHBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001309319388 1050590241 /nfs/dbraw/zinc/59/02/41/1050590241.db2.gz WJSBYBOKLHXUDK-CYBMUJFWSA-N -1 3 392.452 3.867 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC2)c([N+](=O)[O-])s1 ZINC001309423861 1050706796 /nfs/dbraw/zinc/70/67/96/1050706796.db2.gz PMGQFBBSRHXMFU-UHFFFAOYSA-N -1 3 384.454 3.548 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC001309536987 1050791539 /nfs/dbraw/zinc/79/15/39/1050791539.db2.gz HSUBGPXJUBLOHW-UHFFFAOYSA-N -1 3 388.367 3.633 20 5 GHBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC001309551921 1050805166 /nfs/dbraw/zinc/80/51/66/1050805166.db2.gz IFKMNPYSYHHZLJ-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccn1 ZINC001309872828 1051016572 /nfs/dbraw/zinc/01/65/72/1051016572.db2.gz LROKZFBQXCGQPS-NSHDSACASA-N -1 3 390.248 3.726 20 5 GHBDHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001322680032 1056796110 /nfs/dbraw/zinc/79/61/10/1056796110.db2.gz XWNVBVCDKHDKGL-UHFFFAOYSA-N -1 3 383.414 3.975 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001326141620 1057422230 /nfs/dbraw/zinc/42/22/30/1057422230.db2.gz VHLXQNJTSRFFGW-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM CCCCc1nc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C(=O)OCC)[n-]1 ZINC001435886759 1062981701 /nfs/dbraw/zinc/98/17/01/1062981701.db2.gz JLQDJLGNMWSAJO-UHFFFAOYSA-N -1 3 392.387 3.537 20 5 GHBDHM Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(F)ccc1[N+](=O)[O-] ZINC001436019153 1063096350 /nfs/dbraw/zinc/09/63/50/1063096350.db2.gz JGKVPMOTAMOJTH-UHFFFAOYSA-N -1 3 377.328 3.990 20 5 GHBDHM CCOc1cc([N-]C(=O)c2cc(Cl)ncc2F)c([N+](=O)[O-])cc1OCC ZINC001351603085 1064530338 /nfs/dbraw/zinc/53/03/38/1064530338.db2.gz FXFLFQNEHCYHFY-UHFFFAOYSA-N -1 3 383.763 3.832 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001463768540 1064600388 /nfs/dbraw/zinc/60/03/88/1064600388.db2.gz OLFVBRRHOSTVMD-JKSUJKDBSA-N -1 3 392.452 3.905 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001464527571 1065064316 /nfs/dbraw/zinc/06/43/16/1065064316.db2.gz DLMJANSKRQGWQO-UHFFFAOYSA-N -1 3 390.795 3.740 20 5 GHBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[n-]n1 ZINC001469323416 1068102755 /nfs/dbraw/zinc/10/27/55/1068102755.db2.gz KEMIBTXMCJKZRY-UHFFFAOYSA-N -1 3 388.424 3.823 20 5 GHBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC001469323416 1068102760 /nfs/dbraw/zinc/10/27/60/1068102760.db2.gz KEMIBTXMCJKZRY-UHFFFAOYSA-N -1 3 388.424 3.823 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c(F)cc1[N+](=O)[O-] ZINC001474806841 1074572086 /nfs/dbraw/zinc/57/20/86/1074572086.db2.gz IGONJNSAOUXBGB-UHFFFAOYSA-N -1 3 392.452 3.833 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001475185840 1074775540 /nfs/dbraw/zinc/77/55/40/1074775540.db2.gz RBFMWGWCSJQPIP-CQSZACIVSA-N -1 3 380.388 3.693 20 5 GHBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C ZINC001475251081 1074805024 /nfs/dbraw/zinc/80/50/24/1074805024.db2.gz HONYWMPPERLCLN-IJLUTSLNSA-N -1 3 394.415 3.964 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374252 598501294 /nfs/dbraw/zinc/50/12/94/598501294.db2.gz LTAOKKCPTNNWRT-UHFFFAOYSA-N -1 3 380.412 3.658 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374252 598501296 /nfs/dbraw/zinc/50/12/96/598501296.db2.gz LTAOKKCPTNNWRT-UHFFFAOYSA-N -1 3 380.412 3.658 20 5 GHBDHM Cc1cc(C)c(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(C)c1 ZINC000822194314 599503377 /nfs/dbraw/zinc/50/33/77/599503377.db2.gz RQAXIKJMRQZMAS-UHFFFAOYSA-N -1 3 389.419 3.860 20 5 GHBDHM Cc1cc(C)c(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c(C)c1 ZINC000822194314 599503379 /nfs/dbraw/zinc/50/33/79/599503379.db2.gz RQAXIKJMRQZMAS-UHFFFAOYSA-N -1 3 389.419 3.860 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)c(Cl)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823644637 599518213 /nfs/dbraw/zinc/51/82/13/599518213.db2.gz JRBCPVONCGLQKV-UHFFFAOYSA-N -1 3 399.773 3.728 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)c(Cl)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823644637 599518215 /nfs/dbraw/zinc/51/82/15/599518215.db2.gz JRBCPVONCGLQKV-UHFFFAOYSA-N -1 3 399.773 3.728 20 5 GHBDHM CC[C@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820913275 599520585 /nfs/dbraw/zinc/52/05/85/599520585.db2.gz FAQGTMQEFACAPA-CQSZACIVSA-N -1 3 389.419 3.756 20 5 GHBDHM CC[C@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820913275 599520586 /nfs/dbraw/zinc/52/05/86/599520586.db2.gz FAQGTMQEFACAPA-CQSZACIVSA-N -1 3 389.419 3.756 20 5 GHBDHM Cc1c(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000738288164 600080979 /nfs/dbraw/zinc/08/09/79/600080979.db2.gz BRVQVRYFMNTCFG-QGZVFWFLSA-N -1 3 393.237 3.755 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000823646045 606242732 /nfs/dbraw/zinc/24/27/32/606242732.db2.gz ZKOBOFMSKHHHCM-UHFFFAOYSA-N -1 3 376.332 3.755 20 5 GHBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000823639845 606481606 /nfs/dbraw/zinc/48/16/06/606481606.db2.gz IOXLOJDPMLZAEC-UHFFFAOYSA-N -1 3 399.842 3.509 20 5 GHBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000823639845 606481607 /nfs/dbraw/zinc/48/16/07/606481607.db2.gz IOXLOJDPMLZAEC-UHFFFAOYSA-N -1 3 399.842 3.509 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823629563 606880051 /nfs/dbraw/zinc/88/00/51/606880051.db2.gz AADSZYJPHSIFHO-OAHLLOKOSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823629563 606880052 /nfs/dbraw/zinc/88/00/52/606880052.db2.gz AADSZYJPHSIFHO-OAHLLOKOSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826497896 608077480 /nfs/dbraw/zinc/07/74/80/608077480.db2.gz YAMJGORLBGHCGG-OAHLLOKOSA-N -1 3 391.391 3.648 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000826497896 608077481 /nfs/dbraw/zinc/07/74/81/608077481.db2.gz YAMJGORLBGHCGG-OAHLLOKOSA-N -1 3 391.391 3.648 20 5 GHBDHM CC1(C)CCC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824803326 608160887 /nfs/dbraw/zinc/16/08/87/608160887.db2.gz TWDUBTLICYBDTO-SECBINFHSA-N -1 3 378.820 3.583 20 5 GHBDHM CC1(C)CCC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824803326 608160888 /nfs/dbraw/zinc/16/08/88/608160888.db2.gz TWDUBTLICYBDTO-SECBINFHSA-N -1 3 378.820 3.583 20 5 GHBDHM CC1(C)CCC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824803327 608161143 /nfs/dbraw/zinc/16/11/43/608161143.db2.gz TWDUBTLICYBDTO-VIFPVBQESA-N -1 3 378.820 3.583 20 5 GHBDHM CC1(C)CCC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824803327 608161145 /nfs/dbraw/zinc/16/11/45/608161145.db2.gz TWDUBTLICYBDTO-VIFPVBQESA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826450312 608163927 /nfs/dbraw/zinc/16/39/27/608163927.db2.gz GIZJJCPOKSZAHZ-NWDGAFQWSA-N -1 3 390.831 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826450312 608163929 /nfs/dbraw/zinc/16/39/29/608163929.db2.gz GIZJJCPOKSZAHZ-NWDGAFQWSA-N -1 3 390.831 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)CCCC2 ZINC000826451304 608165263 /nfs/dbraw/zinc/16/52/63/608165263.db2.gz ZWZHASZFUJOMRH-UHFFFAOYSA-N -1 3 398.810 3.559 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)CCCC2 ZINC000826451304 608165265 /nfs/dbraw/zinc/16/52/65/608165265.db2.gz ZWZHASZFUJOMRH-UHFFFAOYSA-N -1 3 398.810 3.559 20 5 GHBDHM Cc1nc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826327849 608294481 /nfs/dbraw/zinc/29/44/81/608294481.db2.gz WLOAWWXVYUEIMT-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1nc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826327849 608294482 /nfs/dbraw/zinc/29/44/82/608294482.db2.gz WLOAWWXVYUEIMT-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2ccccc2)c[nH]1 ZINC000825148093 608540239 /nfs/dbraw/zinc/54/02/39/608540239.db2.gz OHDIBIGMZDZATP-HNNXBMFYSA-N -1 3 390.407 3.728 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)c[nH]1 ZINC000825148093 608540241 /nfs/dbraw/zinc/54/02/41/608540241.db2.gz OHDIBIGMZDZATP-HNNXBMFYSA-N -1 3 390.407 3.728 20 5 GHBDHM Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1Br ZINC000120333544 835164623 /nfs/dbraw/zinc/16/46/23/835164623.db2.gz KLJVTAPYDKTZAK-UHFFFAOYSA-N -1 3 377.241 3.528 20 5 GHBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000179864660 836143849 /nfs/dbraw/zinc/14/38/49/836143849.db2.gz OGBXMJCILOJRKJ-SWLSCSKDSA-N -1 3 390.889 3.510 20 5 GHBDHM CSCc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)ccc1F ZINC000472517153 837345447 /nfs/dbraw/zinc/34/54/47/837345447.db2.gz FRWQSFBPVRBTHT-UHFFFAOYSA-N -1 3 386.408 3.661 20 5 GHBDHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000610060767 838577622 /nfs/dbraw/zinc/57/76/22/838577622.db2.gz POAMBEYJRHQLRW-UHFFFAOYSA-N -1 3 379.210 3.979 20 5 GHBDHM CC(C)Oc1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000412197592 839958945 /nfs/dbraw/zinc/95/89/45/839958945.db2.gz STTIFFOOGOUGKT-UHFFFAOYSA-N -1 3 390.343 3.591 20 5 GHBDHM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2c1C ZINC000065011668 842383985 /nfs/dbraw/zinc/38/39/85/842383985.db2.gz DZPKPWUVXPHWPS-UHFFFAOYSA-N -1 3 393.852 3.825 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c(Cl)c1 ZINC001211678968 842419225 /nfs/dbraw/zinc/41/92/25/842419225.db2.gz CHWOMIYIJDUHTD-GXTWGEPZSA-N -1 3 387.244 3.736 20 5 GHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000420741166 847405385 /nfs/dbraw/zinc/40/53/85/847405385.db2.gz SFVNYABIPLEJEH-NSHDSACASA-N -1 3 376.406 3.640 20 5 GHBDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000514425143 849835796 /nfs/dbraw/zinc/83/57/96/849835796.db2.gz UYAOOFAFYNGBQG-UHFFFAOYSA-N -1 3 394.792 3.650 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000518967099 850418392 /nfs/dbraw/zinc/41/83/92/850418392.db2.gz ALQZZOBZSUYNDA-CABCVRRESA-N -1 3 380.853 3.863 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000488695409 851710496 /nfs/dbraw/zinc/71/04/96/851710496.db2.gz LNXKQBAAFGCMNQ-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436523569 852014497 /nfs/dbraw/zinc/01/44/97/852014497.db2.gz BDEUJEMVUKREEX-UHFFFAOYSA-N -1 3 395.400 3.563 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000489576386 852448137 /nfs/dbraw/zinc/44/81/37/852448137.db2.gz GOCOLRSYKBMCNL-UHFFFAOYSA-N -1 3 395.390 3.982 20 5 GHBDHM Cc1csc(Sc2ccc(C(=O)Nc3ncccc3[O-])cc2[N+](=O)[O-])n1 ZINC000057632543 855556501 /nfs/dbraw/zinc/55/65/01/855556501.db2.gz WZYYUWMHQBMPPK-UHFFFAOYSA-N -1 3 388.430 3.864 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc(C2CC2)ncc1Br ZINC000905190385 856192693 /nfs/dbraw/zinc/19/26/93/856192693.db2.gz PPMHMUHPNBAPGJ-UHFFFAOYSA-N -1 3 395.188 3.725 20 5 GHBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH][n-]1 ZINC000439160952 858599381 /nfs/dbraw/zinc/59/93/81/858599381.db2.gz MTKSMLDQKPOTEB-UHFFFAOYSA-N -1 3 386.795 3.630 20 5 GHBDHM COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000764435429 859447868 /nfs/dbraw/zinc/44/78/68/859447868.db2.gz MZKVORAULLMFCW-FPLPWBNLSA-N -1 3 379.372 3.848 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000611202467 859650052 /nfs/dbraw/zinc/65/00/52/859650052.db2.gz BOCKNDQLOOKIAD-UHFFFAOYSA-N -1 3 398.444 3.780 20 5 GHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cscc2Cl)cc1OC ZINC000602223410 859875141 /nfs/dbraw/zinc/87/51/41/859875141.db2.gz ZNQOBAQIJCYOJY-UHFFFAOYSA-N -1 3 386.813 3.596 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(C3CCOCC3)c2)s1 ZINC000599161850 860862727 /nfs/dbraw/zinc/86/27/27/860862727.db2.gz WWWJKJNSJCXHKR-UHFFFAOYSA-N -1 3 382.463 3.697 20 5 GHBDHM C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599175586 860881502 /nfs/dbraw/zinc/88/15/02/860881502.db2.gz DRXASSGNBAEVLZ-PWSUYJOCSA-N -1 3 378.226 3.840 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000609196673 881630907 /nfs/dbraw/zinc/63/09/07/881630907.db2.gz RZMWNLYAVDKWEQ-QGZVFWFLSA-N -1 3 382.388 3.693 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444255177 863766632 /nfs/dbraw/zinc/76/66/32/863766632.db2.gz YCKBXHKCZUPBII-UHFFFAOYSA-N -1 3 380.350 3.595 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)c(F)c1 ZINC000736140363 865143930 /nfs/dbraw/zinc/14/39/30/865143930.db2.gz UPDSBDFZKVMCHI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)c(F)c1 ZINC000736140363 865143939 /nfs/dbraw/zinc/14/39/39/865143939.db2.gz UPDSBDFZKVMCHI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000608789479 865724838 /nfs/dbraw/zinc/72/48/38/865724838.db2.gz UADFTTLTKQQWAX-MLGOLLRUSA-N -1 3 380.404 3.695 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2ccccn2)s1 ZINC000609009919 865887550 /nfs/dbraw/zinc/88/75/50/865887550.db2.gz KMIAUXWYWHRZOK-UHFFFAOYSA-N -1 3 398.400 3.527 20 5 GHBDHM CCc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1[N+](=O)[O-] ZINC000747124367 882215247 /nfs/dbraw/zinc/21/52/47/882215247.db2.gz QVUUQBNXXCZTEQ-UHFFFAOYSA-N -1 3 379.372 3.847 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000535542538 868962855 /nfs/dbraw/zinc/96/28/55/868962855.db2.gz MODSPANLAONBKO-LLVKDONJSA-N -1 3 390.417 3.596 20 5 GHBDHM CSc1ccc(O[C@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000525391316 870590353 /nfs/dbraw/zinc/59/03/53/870590353.db2.gz GQWDODSJORYKDW-GFCCVEGCSA-N -1 3 398.444 3.535 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447275246 871343289 /nfs/dbraw/zinc/34/32/89/871343289.db2.gz RCDQCJZXRIREIL-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000448537695 873532063 /nfs/dbraw/zinc/53/20/63/873532063.db2.gz JPZWAXUXECXZCR-UHFFFAOYSA-N -1 3 393.277 3.665 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Br)cc2Br)c1 ZINC001199802333 875194738 /nfs/dbraw/zinc/19/47/38/875194738.db2.gz OTYLCJWZKAONHY-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM Cc1cc(C(=O)NCc2cccnc2)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230086 875566504 /nfs/dbraw/zinc/56/65/04/875566504.db2.gz XKTCVZCIQLMYAM-UHFFFAOYSA-N -1 3 378.388 3.677 20 5 GHBDHM CNC(=O)c1cc(Oc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2)ccn1 ZINC001201224884 875586512 /nfs/dbraw/zinc/58/65/12/875586512.db2.gz VGLBDPUPLWAFSK-UHFFFAOYSA-N -1 3 380.360 3.591 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(F)cc1C ZINC000791305424 880315899 /nfs/dbraw/zinc/31/58/99/880315899.db2.gz LCNAJVDZNBFZHP-UHFFFAOYSA-N -1 3 378.331 3.919 20 5 GHBDHM CCCCc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OCC)[n-]1 ZINC000792555526 881189296 /nfs/dbraw/zinc/18/92/96/881189296.db2.gz LIXHXATXYRMPLI-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM CCOc1cc([N-]C(=O)c2cnc(C3CC3)s2)c([N+](=O)[O-])cc1OCC ZINC000609215924 884678918 /nfs/dbraw/zinc/67/89/18/884678918.db2.gz SXAXBQYREQLGLG-UHFFFAOYSA-N -1 3 377.422 3.978 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564103177 894597804 /nfs/dbraw/zinc/59/78/04/894597804.db2.gz ZBRWLIWWHVOLCU-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270685 896839791 /nfs/dbraw/zinc/83/97/91/896839791.db2.gz KWDBNBXMZUKQCU-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270685 896839801 /nfs/dbraw/zinc/83/98/01/896839801.db2.gz KWDBNBXMZUKQCU-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000131471615 897472871 /nfs/dbraw/zinc/47/28/71/897472871.db2.gz ZFPDZXOUOJFROM-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM Cc1cnc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000826319295 897552015 /nfs/dbraw/zinc/55/20/15/897552015.db2.gz WXQYSKQOBKZYFJ-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1cnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000826319295 897552040 /nfs/dbraw/zinc/55/20/40/897552040.db2.gz WXQYSKQOBKZYFJ-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cccc(Br)c3Cl)no2)cc1[N+](=O)[O-] ZINC001212844333 903700013 /nfs/dbraw/zinc/70/00/13/903700013.db2.gz OIIIQKWZUAJDMR-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc(Br)cc1[O-] ZINC000578578829 903978774 /nfs/dbraw/zinc/97/87/74/903978774.db2.gz SMDHMKKGLLAVBW-UHFFFAOYSA-N -1 3 387.136 3.522 20 5 GHBDHM CCC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000578895261 904209676 /nfs/dbraw/zinc/20/96/76/904209676.db2.gz LEGRYHWUKAWSKH-GOSISDBHSA-N -1 3 383.448 3.784 20 5 GHBDHM O=C(Nc1ccc(O)cc1[O-])c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001176498363 908140493 /nfs/dbraw/zinc/14/04/93/908140493.db2.gz WMXNYNBJYLKAHN-UHFFFAOYSA-N -1 3 380.356 3.837 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000005666697 915665506 /nfs/dbraw/zinc/66/55/06/915665506.db2.gz BNXULFASAVGVTO-LAHYYIKRSA-N -1 3 399.428 3.827 20 5 GHBDHM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1cnn2Cc1ccccc1 ZINC001189787720 916921893 /nfs/dbraw/zinc/92/18/93/916921893.db2.gz BVZLPBXTWFKKBE-UHFFFAOYSA-N -1 3 393.428 3.781 20 5 GHBDHM C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001191844835 918261914 /nfs/dbraw/zinc/26/19/14/918261914.db2.gz FWBJWYPATTYSBR-VLIAUNLRSA-N -1 3 393.484 3.864 20 5 GHBDHM CC(C)Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC001625778026 1014150281 /nfs/dbraw/zinc/15/02/81/1014150281.db2.gz IQNCIDSWXDKXAQ-IBGZPJMESA-N -1 3 385.464 3.532 20 5 GHBDHM CC1(C)[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1OCc1ccccc1 ZINC001593835808 996590184 /nfs/dbraw/zinc/59/01/84/996590184.db2.gz RHLYJQJBBCLICI-RTBURBONSA-N -1 3 384.432 3.767 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227742388 1032539133 /nfs/dbraw/zinc/53/91/33/1032539133.db2.gz YTPFZBXFFRAWSY-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227742388 1032539142 /nfs/dbraw/zinc/53/91/42/1032539142.db2.gz YTPFZBXFFRAWSY-IUODEOHRSA-N -1 3 394.403 3.588 20 5 GHBDHM Cc1cc2[n-]c(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228671286 1033035447 /nfs/dbraw/zinc/03/54/47/1033035447.db2.gz GGWNPOWDXRWJQS-UHFFFAOYSA-N -1 3 376.413 3.558 20 5 GHBDHM CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001228688362 1033046488 /nfs/dbraw/zinc/04/64/88/1033046488.db2.gz IHVKHPWGHDZCBR-LBPRGKRZSA-N -1 3 378.381 3.560 20 5 GHBDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001228960221 1033201139 /nfs/dbraw/zinc/20/11/39/1033201139.db2.gz YGTZZNGCEGXBCS-FQEVSTJZSA-N -1 3 387.388 3.844 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001211274189 1027879652 /nfs/dbraw/zinc/87/96/52/1027879652.db2.gz XMCMSGRPAFCSNY-ADLMAVQZSA-N -1 3 378.425 3.644 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001213886367 1028429655 /nfs/dbraw/zinc/42/96/55/1028429655.db2.gz NYWQLMOXAQTYLQ-SNVBAGLBSA-N -1 3 389.260 3.984 20 5 GHBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC001225664070 1031528382 /nfs/dbraw/zinc/52/83/82/1031528382.db2.gz INXDWVCFMLSAJV-LURJTMIESA-N -1 3 375.125 3.876 20 5 GHBDHM O=C(Nc1cc([O-])cc(Br)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001157894991 1033814646 /nfs/dbraw/zinc/81/46/46/1033814646.db2.gz OYGVORQXVZHVLT-UHFFFAOYSA-N -1 3 376.166 3.797 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001461897044 1069854889 /nfs/dbraw/zinc/85/48/89/1069854889.db2.gz YJPXCJMSYNVNDH-MRXNPFEDSA-N -1 3 378.812 3.536 20 5 GHBDHM Cc1ccc(N2CCC[C@H](Oc3nc4cc(Cl)c([N+](=O)[O-])cc4[n-]3)C2)nc1 ZINC001233505812 1039396691 /nfs/dbraw/zinc/39/66/91/1039396691.db2.gz HKHMTVVMEPWFMQ-LBPRGKRZSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1ccc(N2CCC[C@H](Oc3nc4cc([N+](=O)[O-])c(Cl)cc4[n-]3)C2)nc1 ZINC001233505812 1039396706 /nfs/dbraw/zinc/39/67/06/1039396706.db2.gz HKHMTVVMEPWFMQ-LBPRGKRZSA-N -1 3 387.827 3.876 20 5 GHBDHM CCCOC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001463248845 1070939056 /nfs/dbraw/zinc/93/90/56/1070939056.db2.gz MELBNPCDFDKSDJ-UHFFFAOYSA-N -1 3 390.889 3.656 20 5 GHBDHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309128606 1050386300 /nfs/dbraw/zinc/38/63/00/1050386300.db2.gz UGUFEFNMUCYHQI-MNOVXSKESA-N -1 3 380.388 3.718 20 5 GHBDHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c[nH]c2c1 ZINC001309418864 1050702490 /nfs/dbraw/zinc/70/24/90/1050702490.db2.gz UBHOKJCXWFTLTL-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001450262157 1060564721 /nfs/dbraw/zinc/56/47/21/1060564721.db2.gz ODUMPCRKAUDSEI-UHFFFAOYSA-N -1 3 386.795 3.759 20 5 GHBDHM C[C@@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)n[n-]1 ZINC001458647061 1063911120 /nfs/dbraw/zinc/91/11/20/1063911120.db2.gz ZJXOPLNGXNXXTC-RXMQYKEDSA-N -1 3 387.709 3.501 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001463768534 1064600123 /nfs/dbraw/zinc/60/01/23/1064600123.db2.gz OLFVBRRHOSTVMD-CVEARBPZSA-N -1 3 392.452 3.905 20 5 GHBDHM COc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])c(F)cc3C)n2)cc1 ZINC001359981732 1068294177 /nfs/dbraw/zinc/29/41/77/1068294177.db2.gz AEGQWAQFLKGFJG-UHFFFAOYSA-N -1 3 388.380 3.822 20 5 GHBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001474855858 1074594831 /nfs/dbraw/zinc/59/48/31/1074594831.db2.gz DUYJOJVDHOEKMO-LLVKDONJSA-N -1 3 388.367 3.962 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001474969796 1074659371 /nfs/dbraw/zinc/65/93/71/1074659371.db2.gz OBBMBTXTBZMFKQ-NTZNESFSSA-N -1 3 392.399 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cn(C(F)F)c3ccccc23)c(F)c1 ZINC001475560939 1074915136 /nfs/dbraw/zinc/91/51/36/1074915136.db2.gz GHTOLGLJCCVZQT-UHFFFAOYSA-N -1 3 399.350 3.562 20 5 GHBDHM CC(C)c1csc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000820197241 599042925 /nfs/dbraw/zinc/04/29/25/599042925.db2.gz HVPQAFHIBGBVPH-GFCCVEGCSA-N -1 3 399.480 3.739 20 5 GHBDHM CC(C)c1csc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000820197241 599042927 /nfs/dbraw/zinc/04/29/27/599042927.db2.gz HVPQAFHIBGBVPH-GFCCVEGCSA-N -1 3 399.480 3.739 20 5 GHBDHM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236298 599064925 /nfs/dbraw/zinc/06/49/25/599064925.db2.gz SSNTZMPISRAIMD-LLVKDONJSA-N -1 3 393.407 3.658 20 5 GHBDHM Cc1ccc(CC[C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236298 599064928 /nfs/dbraw/zinc/06/49/28/599064928.db2.gz SSNTZMPISRAIMD-LLVKDONJSA-N -1 3 393.407 3.658 20 5 GHBDHM CC(C)(C)c1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2s1 ZINC000819966032 599076862 /nfs/dbraw/zinc/07/68/62/599076862.db2.gz SZTNMDCVQZFVIO-UHFFFAOYSA-N -1 3 396.436 3.821 20 5 GHBDHM CC(C)(C)c1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2s1 ZINC000819966032 599076864 /nfs/dbraw/zinc/07/68/64/599076864.db2.gz SZTNMDCVQZFVIO-UHFFFAOYSA-N -1 3 396.436 3.821 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737372316 598426659 /nfs/dbraw/zinc/42/66/59/598426659.db2.gz CZVVDQHEDAHUQQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737372316 598426660 /nfs/dbraw/zinc/42/66/60/598426660.db2.gz CZVVDQHEDAHUQQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM CC(C)c1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2s1 ZINC000735942444 598500541 /nfs/dbraw/zinc/50/05/41/598500541.db2.gz JOGIVNVTSDMWBO-UHFFFAOYSA-N -1 3 382.409 3.647 20 5 GHBDHM CC(C)c1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2s1 ZINC000735942444 598500544 /nfs/dbraw/zinc/50/05/44/598500544.db2.gz JOGIVNVTSDMWBO-UHFFFAOYSA-N -1 3 382.409 3.647 20 5 GHBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000737222068 598551219 /nfs/dbraw/zinc/55/12/19/598551219.db2.gz VAEZPMSVTQIJHS-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000737222068 598551220 /nfs/dbraw/zinc/55/12/20/598551220.db2.gz VAEZPMSVTQIJHS-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736199939 598814771 /nfs/dbraw/zinc/81/47/71/598814771.db2.gz PVYSUSUXDLBJFA-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736199939 598814772 /nfs/dbraw/zinc/81/47/72/598814772.db2.gz PVYSUSUXDLBJFA-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000740096723 600943124 /nfs/dbraw/zinc/94/31/24/600943124.db2.gz OXOVDURXJZDFSK-ZDUSSCGKSA-N -1 3 375.812 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1Cl ZINC000823634727 606597666 /nfs/dbraw/zinc/59/76/66/606597666.db2.gz KRZWXYBYKNTJCQ-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1Cl ZINC000823634727 606597667 /nfs/dbraw/zinc/59/76/67/606597667.db2.gz KRZWXYBYKNTJCQ-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM CC(C)c1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824353114 608164306 /nfs/dbraw/zinc/16/43/06/608164306.db2.gz YJEOMXTUDFGPGE-UHFFFAOYSA-N -1 3 392.828 3.866 20 5 GHBDHM CC(C)c1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824353114 608164307 /nfs/dbraw/zinc/16/43/07/608164307.db2.gz YJEOMXTUDFGPGE-UHFFFAOYSA-N -1 3 392.828 3.866 20 5 GHBDHM CC1CCN([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000580775591 837406300 /nfs/dbraw/zinc/40/63/00/837406300.db2.gz BWTNXSIGBSIPAA-OAHLLOKOSA-N -1 3 390.465 3.635 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000052427607 834619536 /nfs/dbraw/zinc/61/95/36/834619536.db2.gz SKRBZEWARMNMFK-UHFFFAOYSA-N -1 3 393.802 3.948 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583758355 834988788 /nfs/dbraw/zinc/98/87/88/834988788.db2.gz FXWARCQVWQWHJA-MNVSYLFESA-N -1 3 394.468 3.571 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000179871355 836158293 /nfs/dbraw/zinc/15/82/93/836158293.db2.gz QNKDYGFQPCNQKJ-UHFFFAOYSA-N -1 3 393.237 3.918 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487367376 842326557 /nfs/dbraw/zinc/32/65/57/842326557.db2.gz MRIATFXRGARCDI-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000435676497 850764059 /nfs/dbraw/zinc/76/40/59/850764059.db2.gz UNGVHCJORLEWCI-UHFFFAOYSA-N -1 3 376.294 3.678 20 5 GHBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000488999750 851916982 /nfs/dbraw/zinc/91/69/82/851916982.db2.gz GXHUDEXBNLYCCS-LLVKDONJSA-N -1 3 399.266 3.705 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000436635028 852129198 /nfs/dbraw/zinc/12/91/98/852129198.db2.gz OKKREWUEHKAFMF-IBGZPJMESA-N -1 3 383.448 3.503 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc(C)c(F)cc3F)cs2)n1 ZINC000427381628 853023414 /nfs/dbraw/zinc/02/34/14/853023414.db2.gz IPBGHOCEJYTPLW-UHFFFAOYSA-N -1 3 393.375 3.774 20 5 GHBDHM Cc1ccc(-n2ncc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000481900037 862489454 /nfs/dbraw/zinc/48/94/54/862489454.db2.gz XTYZBHGFXXHJMC-UHFFFAOYSA-N -1 3 381.392 3.565 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001212429788 855670622 /nfs/dbraw/zinc/67/06/22/855670622.db2.gz WDYCDLVFEMLUEX-QGZVFWFLSA-N -1 3 384.404 3.857 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000120937895 856382091 /nfs/dbraw/zinc/38/20/91/856382091.db2.gz UFIQRJBVPKPZKB-INIZCTEOSA-N -1 3 383.495 3.580 20 5 GHBDHM O=C([N-]c1cc(-c2ccc(Br)o2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000427671355 856528057 /nfs/dbraw/zinc/52/80/57/856528057.db2.gz IHZRLUWWRKMHBY-UHFFFAOYSA-N -1 3 396.128 3.997 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH][n-]1 ZINC000542884142 856633909 /nfs/dbraw/zinc/63/39/09/856633909.db2.gz CRMAQENHTPZMHW-UHFFFAOYSA-N -1 3 388.330 3.569 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2oc(-c3ccccc3)nc2C)cc([N+](=O)[O-])c1 ZINC000175000829 857419869 /nfs/dbraw/zinc/41/98/69/857419869.db2.gz RYHFJIYZECHNNN-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000442341980 857755281 /nfs/dbraw/zinc/75/52/81/857755281.db2.gz AFFVKWYQQBYPMI-UHFFFAOYSA-N -1 3 384.373 3.532 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000595279492 858459653 /nfs/dbraw/zinc/45/96/53/858459653.db2.gz RLTNKVFPSVGLEF-JKSUJKDBSA-N -1 3 394.349 3.914 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000764161172 859248305 /nfs/dbraw/zinc/24/83/05/859248305.db2.gz FGURZYMZRUXNDH-UHFFFAOYSA-N -1 3 395.368 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(Cl)c1 ZINC000466517124 859817140 /nfs/dbraw/zinc/81/71/40/859817140.db2.gz VBNXECNNMKUZOW-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM Cc1cccn2cc(-c3ccc(NC(=O)c4c[n-]c(=O)c([N+](=O)[O-])c4)cc3)nc12 ZINC000484244375 859908691 /nfs/dbraw/zinc/90/86/91/859908691.db2.gz KPVYGJGZNPWDDA-UHFFFAOYSA-N -1 3 389.371 3.571 20 5 GHBDHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484524151 860075902 /nfs/dbraw/zinc/07/59/02/860075902.db2.gz IPINQLCADVYIRD-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM Cc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000552566053 860539700 /nfs/dbraw/zinc/53/97/00/860539700.db2.gz QGBJYBTWVZIXLS-UHFFFAOYSA-N -1 3 389.371 3.623 20 5 GHBDHM CN(C)C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000598997825 860717648 /nfs/dbraw/zinc/71/76/48/860717648.db2.gz JPKIVZIBXVYKAG-MRXNPFEDSA-N -1 3 384.263 4.000 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000522799447 863362593 /nfs/dbraw/zinc/36/25/93/863362593.db2.gz YFCVHTZPNAKRCE-UHFFFAOYSA-N -1 3 396.852 3.658 20 5 GHBDHM C[C@@]1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCCc2ccccc21 ZINC000609202672 881715822 /nfs/dbraw/zinc/71/58/22/881715822.db2.gz VHWWUYHBHAPSLU-OAQYLSRUSA-N -1 3 376.416 3.640 20 5 GHBDHM CCc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1C(CC)CC ZINC000480194111 864218221 /nfs/dbraw/zinc/21/82/21/864218221.db2.gz ADCAPIWLJAHBLJ-UHFFFAOYSA-N -1 3 394.497 3.699 20 5 GHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480633658 865018101 /nfs/dbraw/zinc/01/81/01/865018101.db2.gz YEFYCMBXWWUDAO-FQEVSTJZSA-N -1 3 397.456 3.675 20 5 GHBDHM CC[C@H](C)n1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000499286976 881911922 /nfs/dbraw/zinc/91/19/22/881911922.db2.gz RRULACXQTNTVDZ-ZDUSSCGKSA-N -1 3 392.481 3.624 20 5 GHBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742302241 867185156 /nfs/dbraw/zinc/18/51/56/867185156.db2.gz VQHWUPHMJZSOOC-QWRGUYRKSA-N -1 3 391.287 3.604 20 5 GHBDHM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000445147364 867833486 /nfs/dbraw/zinc/83/34/86/867833486.db2.gz XNNLPPSJHHADFO-JTQLQIEISA-N -1 3 376.438 3.555 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000016122729 868513837 /nfs/dbraw/zinc/51/38/37/868513837.db2.gz NCIPHWRXFUOKPQ-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM C[C@@H]1C[C@H]1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462720353 869970438 /nfs/dbraw/zinc/97/04/38/869970438.db2.gz HROPWAMIZKASNS-JDSLSITLSA-N -1 3 380.853 3.924 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000766522119 870968386 /nfs/dbraw/zinc/96/83/86/870968386.db2.gz VYVFMKDSPVZOGI-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM COc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000767907109 872953266 /nfs/dbraw/zinc/95/32/66/872953266.db2.gz OLBNGWLTMLLSTO-LICLKQGHSA-N -1 3 390.351 3.674 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)nc2I)c1 ZINC001199801362 875194731 /nfs/dbraw/zinc/19/47/31/875194731.db2.gz DFPYHFIUOGXBER-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2[N+](=O)[O-])C1 ZINC000610011851 877294197 /nfs/dbraw/zinc/29/41/97/877294197.db2.gz ZAARPUJSOPYVNO-ZDUSSCGKSA-N -1 3 387.411 3.606 20 5 GHBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001272512879 877968639 /nfs/dbraw/zinc/96/86/39/877968639.db2.gz GWWNMMUXQDWRIS-UHFFFAOYSA-N -1 3 382.163 3.542 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c([O-])c1 ZINC000537769399 878271066 /nfs/dbraw/zinc/27/10/66/878271066.db2.gz GPFFWILQYKKKIA-UHFFFAOYSA-N -1 3 398.293 3.748 20 5 GHBDHM Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1F ZINC000538297453 879205863 /nfs/dbraw/zinc/20/58/63/879205863.db2.gz YTTDEHRUFGSJNJ-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cccc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC2)c1 ZINC001212288739 879286832 /nfs/dbraw/zinc/28/68/32/879286832.db2.gz HMWMCCWFMKXOCP-UHFFFAOYSA-N -1 3 380.853 3.914 20 5 GHBDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790400698 879715343 /nfs/dbraw/zinc/71/53/43/879715343.db2.gz ZOMDADDRWFTQJJ-UHFFFAOYSA-N -1 3 399.812 3.882 20 5 GHBDHM CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000130518147 879849441 /nfs/dbraw/zinc/84/94/41/879849441.db2.gz MSGKSXJNYSKGHD-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)cc1[N+](=O)[O-] ZINC000791038276 880166837 /nfs/dbraw/zinc/16/68/37/880166837.db2.gz CQWQTCOMMNUSSW-UHFFFAOYSA-N -1 3 386.295 3.858 20 5 GHBDHM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 ZINC000791205164 880277454 /nfs/dbraw/zinc/27/74/54/880277454.db2.gz OGXUOZBLKYCQSQ-UHFFFAOYSA-N -1 3 381.433 3.636 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)n1 ZINC000191456089 885029965 /nfs/dbraw/zinc/02/99/65/885029965.db2.gz QDJRYOKTUKTOLT-UHFFFAOYSA-N -1 3 377.813 3.840 20 5 GHBDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001184534223 913267983 /nfs/dbraw/zinc/26/79/83/913267983.db2.gz MESXOKFHLCHBND-NSHDSACASA-N -1 3 393.303 3.850 20 5 GHBDHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000916108645 888719914 /nfs/dbraw/zinc/71/99/14/888719914.db2.gz GMOBEMSFSHQXLT-UHFFFAOYSA-N -1 3 393.465 3.639 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3C[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301175303 889279891 /nfs/dbraw/zinc/27/98/91/889279891.db2.gz WHSOGKVPFIUXLC-CXAGYDPISA-N -1 3 375.450 3.833 20 5 GHBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000154587581 892861042 /nfs/dbraw/zinc/86/10/42/892861042.db2.gz RCHCAECTSRKTJJ-UHFFFAOYSA-N -1 3 385.243 3.759 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc([N+](=O)[O-])c1C ZINC000191237223 893479924 /nfs/dbraw/zinc/47/99/24/893479924.db2.gz XZXWENVEVYRDNE-UHFFFAOYSA-N -1 3 376.419 3.744 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000800052215 898539645 /nfs/dbraw/zinc/53/96/45/898539645.db2.gz LLXKOZFPHWLPSX-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc4occc4c3)no2)c1Br ZINC001212837291 903508669 /nfs/dbraw/zinc/50/86/69/903508669.db2.gz DHZXGXFMEBAGHN-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc4occc4c3)no2)c1Br ZINC001212837291 903508671 /nfs/dbraw/zinc/50/86/71/903508671.db2.gz DHZXGXFMEBAGHN-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM CC(C)Oc1ccccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837416 903526800 /nfs/dbraw/zinc/52/68/00/903526800.db2.gz KHOCSBQALHRRNP-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM CC(C)Oc1ccccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837416 903526807 /nfs/dbraw/zinc/52/68/07/903526807.db2.gz KHOCSBQALHRRNP-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000191907419 907311636 /nfs/dbraw/zinc/31/16/36/907311636.db2.gz NOCMLJWONNBNJI-UHFFFAOYSA-N -1 3 396.375 3.826 20 5 GHBDHM C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179182056 909398773 /nfs/dbraw/zinc/39/87/73/909398773.db2.gz ASDBSQVOEPEGCF-BYPYZUCNSA-N -1 3 398.128 3.530 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001187897769 915582973 /nfs/dbraw/zinc/58/29/73/915582973.db2.gz SCDKEFKWZXHUBH-ZDUSSCGKSA-N -1 3 380.445 3.535 20 5 GHBDHM C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC001188522801 916004386 /nfs/dbraw/zinc/00/43/86/916004386.db2.gz KOCJSYLNKOUQAK-KRWDZBQOSA-N -1 3 380.853 3.778 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC001188711671 916141549 /nfs/dbraw/zinc/14/15/49/916141549.db2.gz ZWAPGQCSGJCXMX-QGZVFWFLSA-N -1 3 378.425 3.944 20 5 GHBDHM COc1cc(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000800272494 919826409 /nfs/dbraw/zinc/82/64/09/919826409.db2.gz RZGCAXGVKJGAOE-HKUYNNGSSA-N -1 3 388.420 3.603 20 5 GHBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751069878 928011791 /nfs/dbraw/zinc/01/17/91/928011791.db2.gz RZQVUWQPYAHYQZ-UHFFFAOYSA-N -1 3 380.076 3.616 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000782072339 931081292 /nfs/dbraw/zinc/08/12/92/931081292.db2.gz XEGUWARDQICRPM-UHFFFAOYSA-N -1 3 385.445 3.788 20 5 GHBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000782485774 931239484 /nfs/dbraw/zinc/23/94/84/931239484.db2.gz WFUSMMBWQSIZEV-UHFFFAOYSA-N -1 3 397.368 3.922 20 5 GHBDHM COc1cc(CNc2cccc(OC)c2Br)c([N+](=O)[O-])cc1[O-] ZINC001116627238 933670156 /nfs/dbraw/zinc/67/01/56/933670156.db2.gz JLOLVLVMIRQDDG-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM CC(C)COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000777976680 934422070 /nfs/dbraw/zinc/42/20/70/934422070.db2.gz PDJYSLZUBAGGBD-HNNXBMFYSA-N -1 3 382.363 3.810 20 5 GHBDHM Cn1c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000778005605 934604027 /nfs/dbraw/zinc/60/40/27/934604027.db2.gz UDLRFBHXUACHSF-UHFFFAOYSA-N -1 3 394.765 3.543 20 5 GHBDHM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000778029801 934732240 /nfs/dbraw/zinc/73/22/40/934732240.db2.gz YINXWWJYIIRRSV-UHFFFAOYSA-N -1 3 379.319 3.646 20 5 GHBDHM CC(C)(C)OC(=O)CC1(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCCC1 ZINC001589866307 988468570 /nfs/dbraw/zinc/46/85/70/988468570.db2.gz DKCPBORGOPSVEJ-UHFFFAOYSA-N -1 3 392.452 3.817 20 5 GHBDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001593197229 994161324 /nfs/dbraw/zinc/16/13/24/994161324.db2.gz YNAKPLNJTSXVNJ-BONVTDFDSA-N -1 3 379.210 3.834 20 5 GHBDHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593835807 996590171 /nfs/dbraw/zinc/59/01/71/996590171.db2.gz RHLYJQJBBCLICI-RBUKOAKNSA-N -1 3 384.432 3.767 20 5 GHBDHM C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594388122 999468932 /nfs/dbraw/zinc/46/89/32/999468932.db2.gz IAOYJMLHFYLRJC-SZNDQCEHSA-N -1 3 384.432 3.862 20 5 GHBDHM O=c1cc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]c(C(F)(F)F)c1 ZINC001227585385 1032473765 /nfs/dbraw/zinc/47/37/65/1032473765.db2.gz ZAVONDMVOZPYDY-UHFFFAOYSA-N -1 3 383.326 3.762 20 5 GHBDHM O=C([N-]c1cc(F)cc(F)c1F)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000562041589 1018016705 /nfs/dbraw/zinc/01/67/05/1018016705.db2.gz HDMVIMLAVNNLMG-UHFFFAOYSA-N -1 3 395.322 3.534 20 5 GHBDHM CC(C)CN(Cc1c(Br)cccc1[N+](=O)[O-])CC(C)(C)C(=O)[O-] ZINC000901840672 1021455158 /nfs/dbraw/zinc/45/51/58/1021455158.db2.gz MBUXBVHZBWBQPW-UHFFFAOYSA-N -1 3 387.274 3.926 20 5 GHBDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228627435 1033017709 /nfs/dbraw/zinc/01/77/09/1033017709.db2.gz FBEVZLDKXUSFGU-JTQLQIEISA-N -1 3 385.328 3.584 20 5 GHBDHM CC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000837646306 1024606634 /nfs/dbraw/zinc/60/66/34/1024606634.db2.gz LJMVWJSCLXUKLU-UHFFFAOYSA-N -1 3 384.432 3.646 20 5 GHBDHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC001211397559 1027940976 /nfs/dbraw/zinc/94/09/76/1027940976.db2.gz ZYDFSPZXSIMNEF-JTQLQIEISA-N -1 3 386.832 3.989 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H]2C[NH2+]C[C@H]2C)c2c(=O)c3cccc([O-])c3oc12 ZINC001218036420 1030735778 /nfs/dbraw/zinc/73/57/78/1030735778.db2.gz RYHCYPKTDHFZIC-BFUOFWGJSA-N -1 3 395.455 3.853 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218051201 1030742114 /nfs/dbraw/zinc/74/21/14/1030742114.db2.gz WFPBCFYCVVNEAS-KGLIPLIRSA-N -1 3 395.455 3.995 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])s1 ZINC001208326547 1034859826 /nfs/dbraw/zinc/85/98/26/1034859826.db2.gz CBLMAVIMSMSGNU-UHFFFAOYSA-N -1 3 395.487 3.567 20 5 GHBDHM C[C@@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463235882 1070930799 /nfs/dbraw/zinc/93/07/99/1070930799.db2.gz XHYOYWXJEUNDMP-BMLIUANNSA-N -1 3 398.843 3.989 20 5 GHBDHM O=C([N-]c1c(Cl)cncc1Cl)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001265891304 1047689081 /nfs/dbraw/zinc/68/90/81/1047689081.db2.gz PGDXMVFWWSWFSB-UHFFFAOYSA-N -1 3 378.118 3.572 20 5 GHBDHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC001309666015 1050908818 /nfs/dbraw/zinc/90/88/18/1050908818.db2.gz NPKVGGLSBAWVIB-QWRGUYRKSA-N -1 3 394.415 3.964 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C(C)C)c([N+](=O)[O-])s1 ZINC001309762657 1050960918 /nfs/dbraw/zinc/96/09/18/1050960918.db2.gz KKGNWBWOBXLBJY-QGZVFWFLSA-N -1 3 382.507 3.900 20 5 GHBDHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)c2O1 ZINC001340533387 1059967057 /nfs/dbraw/zinc/96/70/57/1059967057.db2.gz MMOKYEFUDMRVHA-UHFFFAOYSA-N -1 3 382.825 3.763 20 5 GHBDHM COc1ccccc1C(=O)Nc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001472638269 1073589880 /nfs/dbraw/zinc/58/98/80/1073589880.db2.gz DVVVVWYNCNJERE-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC001475057516 1074714668 /nfs/dbraw/zinc/71/46/68/1074714668.db2.gz UJFJDGBKHMPXKH-WDEREUQCSA-N -1 3 398.378 3.689 20 5 GHBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475063317 1074718438 /nfs/dbraw/zinc/71/84/38/1074718438.db2.gz NOXSFZCRKVLPRJ-CHWSQXEVSA-N -1 3 378.903 3.591 20 5 GHBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC001475179606 1074772176 /nfs/dbraw/zinc/77/21/76/1074772176.db2.gz KJQWUTUPCDHHDF-GMTAPVOTSA-N -1 3 380.388 3.717 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)c1 ZINC000737369872 599178617 /nfs/dbraw/zinc/17/86/17/599178617.db2.gz YFWQJCUBUVMYSU-SNVBAGLBSA-N -1 3 398.448 3.522 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)c1 ZINC000737369872 599178619 /nfs/dbraw/zinc/17/86/19/599178619.db2.gz YFWQJCUBUVMYSU-SNVBAGLBSA-N -1 3 398.448 3.522 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737372835 598315786 /nfs/dbraw/zinc/31/57/86/598315786.db2.gz LXBQFNFQMKQVEV-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737372835 598315787 /nfs/dbraw/zinc/31/57/87/598315787.db2.gz LXBQFNFQMKQVEV-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736194200 598491839 /nfs/dbraw/zinc/49/18/39/598491839.db2.gz XOBJQQBFMICWRW-VXGBXAGGSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736194200 598491840 /nfs/dbraw/zinc/49/18/40/598491840.db2.gz XOBJQQBFMICWRW-VXGBXAGGSA-N -1 3 399.432 3.560 20 5 GHBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735831420 598759929 /nfs/dbraw/zinc/75/99/29/598759929.db2.gz RHGJTXVPDJVDSH-UHFFFAOYSA-N -1 3 384.415 3.572 20 5 GHBDHM CC(C)Oc1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820173391 607372404 /nfs/dbraw/zinc/37/24/04/607372404.db2.gz DCJCDRZZKLWNHR-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM CC(C)Oc1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820173391 607372407 /nfs/dbraw/zinc/37/24/07/607372407.db2.gz DCJCDRZZKLWNHR-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739031853 602875626 /nfs/dbraw/zinc/87/56/26/602875626.db2.gz RFQHJALHBWXQMD-GXTWGEPZSA-N -1 3 390.465 3.586 20 5 GHBDHM O=[N+]([O-])c1cccnc1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823647481 606242660 /nfs/dbraw/zinc/24/26/60/606242660.db2.gz KQJNDWBYNHZFMP-UHFFFAOYSA-N -1 3 376.332 3.755 20 5 GHBDHM O=[N+]([O-])c1cc(N2CCC(c3c[nH]c4ccccc43)CC2)ccc1-c1nnn[n-]1 ZINC000823634453 606645064 /nfs/dbraw/zinc/64/50/64/606645064.db2.gz FWRSKSLQBQVLTN-UHFFFAOYSA-N -1 3 389.419 3.640 20 5 GHBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000826186218 609483397 /nfs/dbraw/zinc/48/33/97/609483397.db2.gz JVXKWHZCCUPMIF-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000826186218 609483400 /nfs/dbraw/zinc/48/34/00/609483400.db2.gz JVXKWHZCCUPMIF-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM C[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000581369462 837517860 /nfs/dbraw/zinc/51/78/60/837517860.db2.gz BLIKPSBBQCGVLD-CRAIPNDOSA-N -1 3 383.448 3.905 20 5 GHBDHM Cc1c(Br)cc(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000127019427 835327824 /nfs/dbraw/zinc/32/78/24/835327824.db2.gz XBCVDVMFWXLDNI-UHFFFAOYSA-N -1 3 393.169 3.707 20 5 GHBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000179456906 835730651 /nfs/dbraw/zinc/73/06/51/835730651.db2.gz ZXZSNNXPZVKLIA-UHFFFAOYSA-N -1 3 393.321 3.885 20 5 GHBDHM CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006907870 844100941 /nfs/dbraw/zinc/10/09/41/844100941.db2.gz YPLFUCQQLQGSOD-NTEUORMPSA-N -1 3 399.428 3.613 20 5 GHBDHM Cc1c([N-]C(=O)c2ncoc2[C@@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000431240662 844254047 /nfs/dbraw/zinc/25/40/47/844254047.db2.gz WKOYZSAEFQIYNE-LBPRGKRZSA-N -1 3 396.197 3.758 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000190010878 838536868 /nfs/dbraw/zinc/53/68/68/838536868.db2.gz SHAFLXQSRLMEOT-INIZCTEOSA-N -1 3 383.495 3.580 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1C ZINC000015246089 843636092 /nfs/dbraw/zinc/63/60/92/843636092.db2.gz XDTHTOJDPPPBCC-UHFFFAOYSA-N -1 3 389.477 3.921 20 5 GHBDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000604030591 861641480 /nfs/dbraw/zinc/64/14/80/861641480.db2.gz QINDRSYAAIIZGR-UHFFFAOYSA-N -1 3 398.868 3.556 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1[N-]c1ccn(-c2ccccc2)n1 ZINC000732033797 862033711 /nfs/dbraw/zinc/03/37/11/862033711.db2.gz AZDNEOOYIREJJA-UHFFFAOYSA-N -1 3 394.359 3.520 20 5 GHBDHM O=C([O-])[C@H](CCc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426787079 852396975 /nfs/dbraw/zinc/39/69/75/852396975.db2.gz AQYCGJYSDSCTAR-SFHVURJKSA-N -1 3 397.456 3.894 20 5 GHBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436965558 852537026 /nfs/dbraw/zinc/53/70/26/852537026.db2.gz KTXOAOGMFWHLST-CRAIPNDOSA-N -1 3 383.448 3.598 20 5 GHBDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000507512531 852992424 /nfs/dbraw/zinc/99/24/24/852992424.db2.gz UFOODGJKKAXJGJ-LBPRGKRZSA-N -1 3 396.490 3.755 20 5 GHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473905044 854215679 /nfs/dbraw/zinc/21/56/79/854215679.db2.gz BYFYDKLKWAVUPE-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485383499 856439679 /nfs/dbraw/zinc/43/96/79/856439679.db2.gz YNYUACBCWNNMRB-UHFFFAOYSA-N -1 3 377.784 3.923 20 5 GHBDHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439158291 858573720 /nfs/dbraw/zinc/57/37/20/858573720.db2.gz ZUFAXUIOPWHNAQ-QBIMZIAESA-N -1 3 386.452 3.719 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000596221576 858819258 /nfs/dbraw/zinc/81/92/58/858819258.db2.gz ZFCDTZTULLJKIN-UHFFFAOYSA-N -1 3 378.226 3.842 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3[N+](=O)[O-])cc2)cc1 ZINC000060342859 859104441 /nfs/dbraw/zinc/10/44/41/859104441.db2.gz OYHAGSQEVZHGGJ-UHFFFAOYSA-N -1 3 385.401 3.891 20 5 GHBDHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484248486 859899580 /nfs/dbraw/zinc/89/95/80/859899580.db2.gz XQRINXGGIDKZRQ-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)n1 ZINC000484531851 860083282 /nfs/dbraw/zinc/08/32/82/860083282.db2.gz VGIYPEFGQMUKSH-UHFFFAOYSA-N -1 3 397.416 3.506 20 5 GHBDHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000555143065 860114664 /nfs/dbraw/zinc/11/46/64/860114664.db2.gz VHNOJUDIRDUSLZ-UHFFFAOYSA-N -1 3 386.426 3.655 20 5 GHBDHM Cc1ccc(Cc2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1C ZINC000444860660 867347893 /nfs/dbraw/zinc/34/78/93/867347893.db2.gz PXGBRYXHCDMZQJ-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000445147365 867834384 /nfs/dbraw/zinc/83/43/84/867834384.db2.gz XNNLPPSJHHADFO-SNVBAGLBSA-N -1 3 376.438 3.555 20 5 GHBDHM O=C(Nc1ccc(-c2nc3c(cccc3F)[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186607 867907758 /nfs/dbraw/zinc/90/77/58/867907758.db2.gz RUYVRPJYMQDJMN-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000523828718 868079501 /nfs/dbraw/zinc/07/95/01/868079501.db2.gz CGNFUDDEPKQTJE-UHFFFAOYSA-N -1 3 396.440 3.528 20 5 GHBDHM Nc1cc2nc3ccccc3nc2cc1[N-]C(=O)c1nc(Cc2ccccc2)no1 ZINC001192269762 870253744 /nfs/dbraw/zinc/25/37/44/870253744.db2.gz IVWNXZGPLDQNHO-UHFFFAOYSA-N -1 3 396.410 3.591 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783617 874255987 /nfs/dbraw/zinc/25/59/87/874255987.db2.gz JAORZLWXZXBTGA-UHFFFAOYSA-N -1 3 384.161 3.524 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2-c2ccc(Br)cc2)c1 ZINC001199828697 875210807 /nfs/dbraw/zinc/21/08/07/875210807.db2.gz PSFCBHIOYDZRKF-UHFFFAOYSA-N -1 3 375.182 3.992 20 5 GHBDHM CNC(=O)c1cc(Oc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)ccn1 ZINC001201221547 875585506 /nfs/dbraw/zinc/58/55/06/875585506.db2.gz AMBWUUBBDXAPIW-UHFFFAOYSA-N -1 3 380.360 3.591 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000029940345 875691584 /nfs/dbraw/zinc/69/15/84/875691584.db2.gz NJCXDUCJQPLMJZ-CQSZACIVSA-N -1 3 384.841 3.686 20 5 GHBDHM COc1cc(COC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000786028670 876392159 /nfs/dbraw/zinc/39/21/59/876392159.db2.gz JUGYVOWOMPOYNE-UHFFFAOYSA-N -1 3 396.302 3.679 20 5 GHBDHM CC1CCN(c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2[N+](=O)[O-])CC1 ZINC000610011729 877294258 /nfs/dbraw/zinc/29/42/58/877294258.db2.gz OKRQNRLFMVFLBK-UHFFFAOYSA-N -1 3 387.411 3.606 20 5 GHBDHM COc1cc(COC(=O)CCCc2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1F ZINC000787844409 877662626 /nfs/dbraw/zinc/66/26/26/877662626.db2.gz KNUZDVOUUNPZMK-UHFFFAOYSA-N -1 3 381.331 3.653 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000180348483 878798091 /nfs/dbraw/zinc/79/80/91/878798091.db2.gz BRILQNGQOQRURE-UHFFFAOYSA-N -1 3 384.722 3.955 20 5 GHBDHM CCCCc1nc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000792554648 881189582 /nfs/dbraw/zinc/18/95/82/881189582.db2.gz DEQSYACGCYRWJW-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC001212113397 886288651 /nfs/dbraw/zinc/28/86/51/886288651.db2.gz FZEZKPDKYDYMGW-UHFFFAOYSA-N -1 3 378.372 3.615 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195123906 886437591 /nfs/dbraw/zinc/43/75/91/886437591.db2.gz MXLSYSKCRNQRMJ-UHFFFAOYSA-N -1 3 399.447 3.937 20 5 GHBDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001184534220 913268323 /nfs/dbraw/zinc/26/83/23/913268323.db2.gz MESXOKFHLCHBND-LLVKDONJSA-N -1 3 393.303 3.850 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000064374449 892092310 /nfs/dbraw/zinc/09/23/10/892092310.db2.gz DWJYINGMCFNSTI-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM COc1cc(Br)cc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC001135013014 893832475 /nfs/dbraw/zinc/83/24/75/893832475.db2.gz SXXFYFFISXNZES-UHFFFAOYSA-N -1 3 398.194 3.821 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000800151240 898669466 /nfs/dbraw/zinc/66/94/66/898669466.db2.gz DWHPIMQRNISTMR-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000824293499 899506349 /nfs/dbraw/zinc/50/63/49/899506349.db2.gz OTAZLJRATBYWOW-UHFFFAOYSA-N -1 3 386.843 3.839 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(Br)c2Cl)no1 ZINC001212936007 911771146 /nfs/dbraw/zinc/77/11/46/911771146.db2.gz ZORBWTPKTJVTBF-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM COc1cc(CNc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000293403714 916180789 /nfs/dbraw/zinc/18/07/89/916180789.db2.gz LTUCOVUIWSLKQD-SJKOYZFVSA-N -1 3 385.420 3.682 20 5 GHBDHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000800845083 920522728 /nfs/dbraw/zinc/52/27/28/920522728.db2.gz ZTEBTIGPHMBDIL-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM CC(C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000467807013 929447167 /nfs/dbraw/zinc/44/71/67/929447167.db2.gz VTIKHSQCYTXLPL-UHFFFAOYSA-N -1 3 386.358 3.601 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000784373485 931873536 /nfs/dbraw/zinc/87/35/36/931873536.db2.gz HLVWXIREOJOBSZ-UHFFFAOYSA-N -1 3 382.816 3.803 20 5 GHBDHM C[C@@]1(c2ccccc2)CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001575858065 949280290 /nfs/dbraw/zinc/28/02/90/949280290.db2.gz ZTVAZWDKOWXBID-HXUWFJFHSA-N -1 3 378.436 3.723 20 5 GHBDHM C[C@@]1(c2ccccc2)CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001575858065 949280311 /nfs/dbraw/zinc/28/03/11/949280311.db2.gz ZTVAZWDKOWXBID-HXUWFJFHSA-N -1 3 378.436 3.723 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[C@@H](C)C1 ZINC001576153350 949287338 /nfs/dbraw/zinc/28/73/38/949287338.db2.gz LZAYCHKKLQCFRB-AGIUHOORSA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[C@@H](C)C1 ZINC001576153350 949287357 /nfs/dbraw/zinc/28/73/57/949287357.db2.gz LZAYCHKKLQCFRB-AGIUHOORSA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575191469 952467629 /nfs/dbraw/zinc/46/76/29/952467629.db2.gz XCXLAILXLMWIGB-SNVBAGLBSA-N -1 3 392.341 3.837 20 5 GHBDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575191469 952467632 /nfs/dbraw/zinc/46/76/32/952467632.db2.gz XCXLAILXLMWIGB-SNVBAGLBSA-N -1 3 392.341 3.837 20 5 GHBDHM CCN1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])c(C)c2)CC1 ZINC001596442037 984132334 /nfs/dbraw/zinc/13/23/34/984132334.db2.gz KFAISJLOYLZDJZ-UHFFFAOYSA-N -1 3 398.463 3.795 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741290 1032537872 /nfs/dbraw/zinc/53/78/72/1032537872.db2.gz KWVUXOJBZPKXBQ-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741290 1032537876 /nfs/dbraw/zinc/53/78/76/1032537876.db2.gz KWVUXOJBZPKXBQ-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C[C@@H]21 ZINC001227744342 1032540147 /nfs/dbraw/zinc/54/01/47/1032540147.db2.gz GKRYAKHXQLCGPS-KFNAQCHYSA-N -1 3 388.424 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C[C@@H]21 ZINC001227744342 1032540150 /nfs/dbraw/zinc/54/01/50/1032540150.db2.gz GKRYAKHXQLCGPS-KFNAQCHYSA-N -1 3 388.424 3.638 20 5 GHBDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560795058 1017721640 /nfs/dbraw/zinc/72/16/40/1017721640.db2.gz CEBHLSRYNOZSHC-UHFFFAOYSA-N -1 3 376.438 3.671 20 5 GHBDHM O=C([O-])c1ccccc1CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000575139214 1019924206 /nfs/dbraw/zinc/92/42/06/1019924206.db2.gz ZVFXVIKWMYCEAV-UHFFFAOYSA-N -1 3 384.432 3.627 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228671469 1033035480 /nfs/dbraw/zinc/03/54/80/1033035480.db2.gz HVFQPJMGTKPARC-ABAIWWIYSA-N -1 3 394.403 3.506 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228671470 1033035536 /nfs/dbraw/zinc/03/55/36/1033035536.db2.gz HVFQPJMGTKPARC-IAQYHMDHSA-N -1 3 394.403 3.506 20 5 GHBDHM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689308 1033047204 /nfs/dbraw/zinc/04/72/04/1033047204.db2.gz QZHGLOFINSHCQV-JSGCOSHPSA-N -1 3 381.429 3.562 20 5 GHBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(O)cc2SC)cc1OC ZINC000754731373 1022864776 /nfs/dbraw/zinc/86/47/76/1022864776.db2.gz FSGQGVVOCZUHCO-UHFFFAOYSA-N -1 3 378.406 3.682 20 5 GHBDHM O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161896828 1025480848 /nfs/dbraw/zinc/48/08/48/1025480848.db2.gz XDXRLOOZMQJDKF-UHFFFAOYSA-N -1 3 376.328 3.756 20 5 GHBDHM O=c1ccnc([C@H]2CC[C@H](Nc3c4cc(Cl)ccc4ncc3[N+](=O)[O-])CC2)[n-]1 ZINC001164351608 1026492785 /nfs/dbraw/zinc/49/27/85/1026492785.db2.gz UCHSQRBGSGZLGN-AULYBMBSSA-N -1 3 399.838 3.852 20 5 GHBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC001211404759 1027944026 /nfs/dbraw/zinc/94/40/26/1027944026.db2.gz UTOUTKXVAIJKMH-SFHVURJKSA-N -1 3 394.880 3.821 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c(F)cc1[N+](=O)[O-] ZINC001213278663 1028084832 /nfs/dbraw/zinc/08/48/32/1028084832.db2.gz HGPYKEHZLQTISH-AWEZNQCLSA-N -1 3 384.816 3.662 20 5 GHBDHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665333 1031530549 /nfs/dbraw/zinc/53/05/49/1031530549.db2.gz XUNOFTQDXRXPIV-HNNXBMFYSA-N -1 3 387.392 3.566 20 5 GHBDHM CCOc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1Cl ZINC001247999780 1038532142 /nfs/dbraw/zinc/53/21/42/1038532142.db2.gz NSIOIVJAJJFMTO-UHFFFAOYSA-N -1 3 388.767 3.949 20 5 GHBDHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000901553000 1049114606 /nfs/dbraw/zinc/11/46/06/1049114606.db2.gz GRSSCMBKNVVZOB-MRXNPFEDSA-N -1 3 375.469 3.662 20 5 GHBDHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309093784 1050345365 /nfs/dbraw/zinc/34/53/65/1050345365.db2.gz VBJPAJDEFQCNDW-ZDUSSCGKSA-N -1 3 398.868 3.611 20 5 GHBDHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001309563821 1050815495 /nfs/dbraw/zinc/81/54/95/1050815495.db2.gz OQBCDFFGXXSZII-GFCCVEGCSA-N -1 3 398.506 3.521 20 5 GHBDHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001356109230 1057392328 /nfs/dbraw/zinc/39/23/28/1057392328.db2.gz QDHHUOJUSQUCOG-UHFFFAOYSA-N -1 3 393.277 3.711 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@]2(c3ccccc3)CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001464138102 1064850845 /nfs/dbraw/zinc/85/08/45/1064850845.db2.gz XPGCLVGXIUELHC-IBGZPJMESA-N -1 3 392.452 3.689 20 5 GHBDHM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001465292322 1065529638 /nfs/dbraw/zinc/52/96/38/1065529638.db2.gz ZHUWGJYVWDSPGD-UHFFFAOYSA-N -1 3 381.392 3.565 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)c(F)cc1[N+](=O)[O-] ZINC001474840024 1074587630 /nfs/dbraw/zinc/58/76/30/1074587630.db2.gz XCKBMYGRBKVICT-ZDUSSCGKSA-N -1 3 396.440 3.869 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC001475145294 1074756585 /nfs/dbraw/zinc/75/65/85/1074756585.db2.gz IFLKORKAMUOMHV-UHFFFAOYSA-N -1 3 398.843 3.689 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001475398606 1074861071 /nfs/dbraw/zinc/86/10/71/1074861071.db2.gz CZRAYRQLENZULH-LJQANCHMSA-N -1 3 392.452 3.732 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC001475467735 1074886056 /nfs/dbraw/zinc/88/60/56/1074886056.db2.gz UGAWUTJIJAYBEA-CHWSQXEVSA-N -1 3 385.244 3.540 20 5 GHBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001475479489 1074889848 /nfs/dbraw/zinc/88/98/48/1074889848.db2.gz NGOWZDBKBOTECS-GDNZZTSVSA-N -1 3 394.415 3.964 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)s2)c(F)cc1[N+](=O)[O-] ZINC001475639517 1074990294 /nfs/dbraw/zinc/99/02/94/1074990294.db2.gz YTZJUXKCDXJCND-UHFFFAOYSA-N -1 3 398.359 3.601 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233981 599108708 /nfs/dbraw/zinc/10/87/08/599108708.db2.gz ZDIQAIKCXVACBW-DNVCBOLYSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233981 599108710 /nfs/dbraw/zinc/10/87/10/599108710.db2.gz ZDIQAIKCXVACBW-DNVCBOLYSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000737369429 599178210 /nfs/dbraw/zinc/17/82/10/599178210.db2.gz UDSXEJYCHRKTDM-UHFFFAOYSA-N -1 3 398.448 3.666 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000737369429 599178213 /nfs/dbraw/zinc/17/82/13/599178213.db2.gz UDSXEJYCHRKTDM-UHFFFAOYSA-N -1 3 398.448 3.666 20 5 GHBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2c2cccnc12 ZINC000738165288 598586982 /nfs/dbraw/zinc/58/69/82/598586982.db2.gz BIOBZRCEYVACQZ-UHFFFAOYSA-N -1 3 384.374 3.960 20 5 GHBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2c2cccnc12 ZINC000738165288 598586984 /nfs/dbraw/zinc/58/69/84/598586984.db2.gz BIOBZRCEYVACQZ-UHFFFAOYSA-N -1 3 384.374 3.960 20 5 GHBDHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736198091 598814679 /nfs/dbraw/zinc/81/46/79/598814679.db2.gz FODQXSQEQDAVQZ-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736198091 598814680 /nfs/dbraw/zinc/81/46/80/598814680.db2.gz FODQXSQEQDAVQZ-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM Cc1ccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737342142 598815514 /nfs/dbraw/zinc/81/55/14/598815514.db2.gz PPWVKZZFTKWWGR-UHFFFAOYSA-N -1 3 396.432 3.945 20 5 GHBDHM Cc1ccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000737342142 598815515 /nfs/dbraw/zinc/81/55/15/598815515.db2.gz PPWVKZZFTKWWGR-UHFFFAOYSA-N -1 3 396.432 3.945 20 5 GHBDHM C[C@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191722 599331439 /nfs/dbraw/zinc/33/14/39/599331439.db2.gz WDPZEKSVPIVJDL-NSHDSACASA-N -1 3 399.432 3.636 20 5 GHBDHM C[C@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191722 599331441 /nfs/dbraw/zinc/33/14/41/599331441.db2.gz WDPZEKSVPIVJDL-NSHDSACASA-N -1 3 399.432 3.636 20 5 GHBDHM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738371877 599333918 /nfs/dbraw/zinc/33/39/18/599333918.db2.gz YNXWGANPJJLICM-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738371877 599333921 /nfs/dbraw/zinc/33/39/21/599333921.db2.gz YNXWGANPJJLICM-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000737281785 599528213 /nfs/dbraw/zinc/52/82/13/599528213.db2.gz ZTMRQRNYAXKTEC-UHFFFAOYSA-N -1 3 394.313 3.768 20 5 GHBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000737281785 599528215 /nfs/dbraw/zinc/52/82/15/599528215.db2.gz ZTMRQRNYAXKTEC-UHFFFAOYSA-N -1 3 394.313 3.768 20 5 GHBDHM O=C([O-])[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833166005 600749022 /nfs/dbraw/zinc/74/90/22/600749022.db2.gz NEYWYEDUGXDGNK-HNNXBMFYSA-N -1 3 385.203 3.696 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2cc(-c3nnn[n-]3)cs2)c2ccncc2)cc1 ZINC000823634719 606305445 /nfs/dbraw/zinc/30/54/45/606305445.db2.gz KMLIQXJBDMYBRZ-LICLKQGHSA-N -1 3 376.401 3.820 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2cc(-c3nn[n-]n3)cs2)c2ccncc2)cc1 ZINC000823634719 606305446 /nfs/dbraw/zinc/30/54/46/606305446.db2.gz KMLIQXJBDMYBRZ-LICLKQGHSA-N -1 3 376.401 3.820 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826450311 608164320 /nfs/dbraw/zinc/16/43/20/608164320.db2.gz GIZJJCPOKSZAHZ-NEPJUHHUSA-N -1 3 390.831 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826450311 608164321 /nfs/dbraw/zinc/16/43/21/608164321.db2.gz GIZJJCPOKSZAHZ-NEPJUHHUSA-N -1 3 390.831 3.583 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1F ZINC000824651287 608304577 /nfs/dbraw/zinc/30/45/77/608304577.db2.gz YXSWSXJCJPPAPI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1F ZINC000824651287 608304578 /nfs/dbraw/zinc/30/45/78/608304578.db2.gz YXSWSXJCJPPAPI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000824649508 608415815 /nfs/dbraw/zinc/41/58/15/608415815.db2.gz NACHTGSTEZINTQ-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499542 608878686 /nfs/dbraw/zinc/87/86/86/608878686.db2.gz MRZLYIGCTKVKGI-IZZDOVSWSA-N -1 3 385.746 3.527 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499542 608878688 /nfs/dbraw/zinc/87/86/88/608878688.db2.gz MRZLYIGCTKVKGI-IZZDOVSWSA-N -1 3 385.746 3.527 20 5 GHBDHM COc1c([O-])ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000892352819 834956265 /nfs/dbraw/zinc/95/62/65/834956265.db2.gz ORVJFFWIDMHANN-OKILXGFUSA-N -1 3 387.436 3.535 20 5 GHBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000151242304 835318019 /nfs/dbraw/zinc/31/80/19/835318019.db2.gz NVEYPRIBWMMEEN-LBPRGKRZSA-N -1 3 378.457 3.744 20 5 GHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000612673196 836572068 /nfs/dbraw/zinc/57/20/68/836572068.db2.gz FWLMAAJZJOGBOB-UHFFFAOYSA-N -1 3 393.440 3.666 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc(C(F)(F)F)c1F ZINC000431852601 838038174 /nfs/dbraw/zinc/03/81/74/838038174.db2.gz YCTNUDDIICVMOA-UHFFFAOYSA-N -1 3 394.284 3.817 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c(Cl)c1 ZINC000511922945 842436638 /nfs/dbraw/zinc/43/66/38/842436638.db2.gz NSQLEVCZHZCIJW-AWEZNQCLSA-N -1 3 387.244 3.867 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135513570 846760349 /nfs/dbraw/zinc/76/03/49/846760349.db2.gz LREULVFBOUZMNY-UHFFFAOYSA-N -1 3 382.348 3.518 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000183243470 846801319 /nfs/dbraw/zinc/80/13/19/846801319.db2.gz IRFMPMNWHVEVPD-GFCCVEGCSA-N -1 3 396.378 3.535 20 5 GHBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481576055 861737730 /nfs/dbraw/zinc/73/77/30/861737730.db2.gz QYEOTNWFDQSZCM-UHFFFAOYSA-N -1 3 384.816 3.554 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183862631 847388484 /nfs/dbraw/zinc/38/84/84/847388484.db2.gz WNNMGVJGPUOPHS-UHFFFAOYSA-N -1 3 376.768 3.664 20 5 GHBDHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000479288764 847586948 /nfs/dbraw/zinc/58/69/48/847586948.db2.gz UGOQSSFIWJHEAB-UHFFFAOYSA-N -1 3 383.838 3.967 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(F)c(Cl)cc1F ZINC000133884604 851892821 /nfs/dbraw/zinc/89/28/21/851892821.db2.gz PCHFNRGKWJFQDR-UHFFFAOYSA-N -1 3 379.710 3.564 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000436701644 852219296 /nfs/dbraw/zinc/21/92/96/852219296.db2.gz BHOOCMRQSCMHLS-UHFFFAOYSA-N -1 3 392.415 3.565 20 5 GHBDHM O=C([O-])C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000426826828 852440402 /nfs/dbraw/zinc/44/04/02/852440402.db2.gz PVYXJHDWLZHYGB-OAHLLOKOSA-N -1 3 379.210 3.663 20 5 GHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473853102 852587583 /nfs/dbraw/zinc/58/75/83/852587583.db2.gz VXPDJEKDQBMJNT-OAHLLOKOSA-N -1 3 390.465 3.592 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[nH][n-]1 ZINC000490666307 853169329 /nfs/dbraw/zinc/16/93/29/853169329.db2.gz FERMKUJOFYPJLK-UHFFFAOYSA-N -1 3 388.330 3.569 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000517246064 853556305 /nfs/dbraw/zinc/55/63/05/853556305.db2.gz JMYMEANBFLGNAY-UHFFFAOYSA-N -1 3 378.450 3.506 20 5 GHBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519998244 853739186 /nfs/dbraw/zinc/73/91/86/853739186.db2.gz PRLRACFKKOPUFJ-UHFFFAOYSA-N -1 3 394.434 3.605 20 5 GHBDHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508268610 857143029 /nfs/dbraw/zinc/14/30/29/857143029.db2.gz ZKONWAWCBSUSLM-ZDUSSCGKSA-N -1 3 398.868 3.694 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)n1 ZINC000521840422 858377635 /nfs/dbraw/zinc/37/76/35/858377635.db2.gz UBMMXTNBUZJAQD-UHFFFAOYSA-N -1 3 382.351 3.711 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(F)c(F)cc1Cl ZINC000010963865 858531502 /nfs/dbraw/zinc/53/15/02/858531502.db2.gz PSKFAFKGLWBSMV-UHFFFAOYSA-N -1 3 384.722 3.940 20 5 GHBDHM COc1ccc(Cl)cc1C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596142144 858790932 /nfs/dbraw/zinc/79/09/32/858790932.db2.gz FBWWGWBXBLBCBH-GFCCVEGCSA-N -1 3 377.828 3.817 20 5 GHBDHM Nc1c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)cc(F)cc1[N+](=O)[O-] ZINC000068131470 858901891 /nfs/dbraw/zinc/90/18/91/858901891.db2.gz HGMDMIGYCOSTNN-UHFFFAOYSA-N -1 3 393.787 3.740 20 5 GHBDHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222429 859656260 /nfs/dbraw/zinc/65/62/60/859656260.db2.gz MZGRLRZAUWJPFU-UHFFFAOYSA-N -1 3 391.412 3.838 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC=CCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000611509924 859790676 /nfs/dbraw/zinc/79/06/76/859790676.db2.gz KRUVQUKKHFFYMP-UHFFFAOYSA-N -1 3 387.461 3.779 20 5 GHBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129922075 859976952 /nfs/dbraw/zinc/97/69/52/859976952.db2.gz WPMDCBVJGBFFSD-HXUWFJFHSA-N -1 3 397.456 3.675 20 5 GHBDHM CC(C)OCCS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000484602664 860173814 /nfs/dbraw/zinc/17/38/14/860173814.db2.gz GYEVUJDEBFDORB-UHFFFAOYSA-N -1 3 380.422 3.554 20 5 GHBDHM Cc1ccc(NC(=O)c2ccc(NCc3ncccc3[O-])c([N+](=O)[O-])c2)cc1 ZINC000480573660 864892254 /nfs/dbraw/zinc/89/22/54/864892254.db2.gz AUZFWBGOAJOKJJ-UHFFFAOYSA-N -1 3 378.388 3.868 20 5 GHBDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000481022411 865692705 /nfs/dbraw/zinc/69/27/05/865692705.db2.gz UASOEEHSDDOMDX-HNNXBMFYSA-N -1 3 377.466 3.591 20 5 GHBDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000608834550 865736894 /nfs/dbraw/zinc/73/68/94/865736894.db2.gz DAINEUJTYNGFBV-UHFFFAOYSA-N -1 3 380.853 3.567 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(C(CC)CC)s2)cc([N+](=O)[O-])c1 ZINC000036316805 868699115 /nfs/dbraw/zinc/69/91/15/868699115.db2.gz NEJQWGDGUQIRGJ-UHFFFAOYSA-N -1 3 392.437 3.779 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000524382490 868985744 /nfs/dbraw/zinc/98/57/44/868985744.db2.gz DUHRSTBKPBELPF-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC001192625607 870573877 /nfs/dbraw/zinc/57/38/77/870573877.db2.gz QJVCXEHQMDLQIM-WCQYABFASA-N -1 3 387.244 3.736 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c1 ZINC001199819496 875180121 /nfs/dbraw/zinc/18/01/21/875180121.db2.gz UPPBMAHPPVFRGY-LBPRGKRZSA-N -1 3 390.787 3.536 20 5 GHBDHM COc1cc(I)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229050 875565627 /nfs/dbraw/zinc/56/56/27/875565627.db2.gz AOFOCJGFOCMUMI-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM COC(=O)c1nc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)sc1C(C)C ZINC000854494149 879852046 /nfs/dbraw/zinc/85/20/46/879852046.db2.gz OGKLJKSEIGKPPI-UHFFFAOYSA-N -1 3 399.375 3.800 20 5 GHBDHM CC(C)(CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914570991 884205193 /nfs/dbraw/zinc/20/51/93/884205193.db2.gz BTNRKEPJQSFNKY-NTMALXAHSA-N -1 3 395.459 3.941 20 5 GHBDHM O=c1[n-]c(SCc2csc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1 ZINC000054425202 884302754 /nfs/dbraw/zinc/30/27/54/884302754.db2.gz HLJKCSVUJQXLCT-UHFFFAOYSA-N -1 3 385.430 3.783 20 5 GHBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000796113190 913291847 /nfs/dbraw/zinc/29/18/47/913291847.db2.gz HRGJSFHMUCSRLN-UHFFFAOYSA-N -1 3 388.807 3.735 20 5 GHBDHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001185487822 913905976 /nfs/dbraw/zinc/90/59/76/913905976.db2.gz ZLMXTEXWKSDKCO-UHFFFAOYSA-N -1 3 398.506 3.665 20 5 GHBDHM COc1ccccc1[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])N1CCCC1 ZINC000567355917 897089040 /nfs/dbraw/zinc/08/90/40/897089040.db2.gz VKGFBIPMEYDMPJ-LJQANCHMSA-N -1 3 399.447 3.859 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000800050861 898537395 /nfs/dbraw/zinc/53/73/95/898537395.db2.gz BEDXEXCAJVQDBP-UHFFFAOYSA-N -1 3 378.381 3.608 20 5 GHBDHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000844246461 900615580 /nfs/dbraw/zinc/61/55/80/900615580.db2.gz FYANRENZCBTSFO-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CCCCC2)c2ccccc2)nc1 ZINC001186357626 914473315 /nfs/dbraw/zinc/47/33/15/914473315.db2.gz JDWVSZZPAPCPJH-GOSISDBHSA-N -1 3 389.477 3.980 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000600817705 902955711 /nfs/dbraw/zinc/95/57/11/902955711.db2.gz TWHDEMZJVNRMNI-UHFFFAOYSA-N -1 3 377.404 3.742 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc(Cl)cc3F)no2)c1Br ZINC001212837642 903515528 /nfs/dbraw/zinc/51/55/28/903515528.db2.gz WREFLLYRIMCSHN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc(Cl)cc3F)no2)c1Br ZINC001212837642 903515537 /nfs/dbraw/zinc/51/55/37/903515537.db2.gz WREFLLYRIMCSHN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cc(Cl)ccc3F)no2)c1Br ZINC001212837351 903524933 /nfs/dbraw/zinc/52/49/33/903524933.db2.gz HEGVKOBASBBPLW-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cc(Cl)ccc3F)no2)c1Br ZINC001212837351 903524945 /nfs/dbraw/zinc/52/49/45/903524945.db2.gz HEGVKOBASBBPLW-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM CCC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000578895262 904209983 /nfs/dbraw/zinc/20/99/83/904209983.db2.gz LEGRYHWUKAWSKH-SFHVURJKSA-N -1 3 383.448 3.784 20 5 GHBDHM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001186849571 914821617 /nfs/dbraw/zinc/82/16/17/914821617.db2.gz DECJZVHPSXBASL-UHFFFAOYSA-N -1 3 380.441 3.768 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000192726187 907869286 /nfs/dbraw/zinc/86/92/86/907869286.db2.gz LZWJQVCKXSUARW-UHFFFAOYSA-N -1 3 392.176 3.611 20 5 GHBDHM CN(Cc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001182425325 911615224 /nfs/dbraw/zinc/61/52/24/911615224.db2.gz PPMBGYUCJBLZTO-UHFFFAOYSA-N -1 3 378.388 3.584 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001212935896 911771611 /nfs/dbraw/zinc/77/16/11/911771611.db2.gz TTXNKEAFXLNRLJ-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c(F)c1 ZINC000119127299 919605866 /nfs/dbraw/zinc/60/58/66/919605866.db2.gz LPWSDXVECGSLNQ-UHFFFAOYSA-N -1 3 390.352 3.661 20 5 GHBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2sccc2c([O-])c1 ZINC000752873424 929069617 /nfs/dbraw/zinc/06/96/17/929069617.db2.gz LCRSMJAFNNAIAI-UHFFFAOYSA-N -1 3 381.413 3.969 20 5 GHBDHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)Cc1cccc(F)c1 ZINC000470561939 930714206 /nfs/dbraw/zinc/71/42/06/930714206.db2.gz CJKZSGPXSVRNBJ-CYBMUJFWSA-N -1 3 382.395 3.753 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000798543090 932698952 /nfs/dbraw/zinc/69/89/52/932698952.db2.gz PIEXAOOAKGPZDD-UHFFFAOYSA-N -1 3 375.337 3.553 20 5 GHBDHM O=C([N-]Cc1cc(Br)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777947936 934311991 /nfs/dbraw/zinc/31/19/91/934311991.db2.gz VVZVZSLYUFRDSN-UHFFFAOYSA-N -1 3 391.193 3.827 20 5 GHBDHM CC(C)c1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1-c1cccc(F)c1 ZINC000561791971 934454991 /nfs/dbraw/zinc/45/49/91/934454991.db2.gz HLNGUQFPECDKRZ-UHFFFAOYSA-N -1 3 387.346 3.829 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138017377 935929867 /nfs/dbraw/zinc/92/98/67/935929867.db2.gz IKQXANQNTYEZCC-OLZOCXBDSA-N -1 3 377.194 3.805 20 5 GHBDHM CC(C)c1cnc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1C1CC1 ZINC001574424004 948833861 /nfs/dbraw/zinc/83/38/61/948833861.db2.gz AQKOLAYCOQYLNZ-UHFFFAOYSA-N -1 3 385.453 3.722 20 5 GHBDHM CC(C)c1cnc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1C1CC1 ZINC001574424004 948833875 /nfs/dbraw/zinc/83/38/75/948833875.db2.gz AQKOLAYCOQYLNZ-UHFFFAOYSA-N -1 3 385.453 3.722 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[C@H](C)C1 ZINC001576153358 949285893 /nfs/dbraw/zinc/28/58/93/949285893.db2.gz LZAYCHKKLQCFRB-AVGNSLFASA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[C@H](C)C1 ZINC001576153358 949285913 /nfs/dbraw/zinc/28/59/13/949285913.db2.gz LZAYCHKKLQCFRB-AVGNSLFASA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593223377 994339123 /nfs/dbraw/zinc/33/91/23/994339123.db2.gz NXZRHXAVYBYKMC-SGMGOOAPSA-N -1 3 375.450 3.812 20 5 GHBDHM COc1cc(O[C@H](C)c2ccccn2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647461 1032500938 /nfs/dbraw/zinc/50/09/38/1032500938.db2.gz YUGWJOTWLXUFQT-LLVKDONJSA-N -1 3 379.368 3.901 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@H]2CCc3c2cccc3Br)c2[n-]cnc21 ZINC001227692330 1032518684 /nfs/dbraw/zinc/51/86/84/1032518684.db2.gz WUUJNAZWFHAUKD-LBPRGKRZSA-N -1 3 375.182 3.695 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3C[C@@H](N(C)C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228671998 1033036832 /nfs/dbraw/zinc/03/68/32/1033036832.db2.gz NFLFTTJFTGQMLH-TXEJJXNPSA-N -1 3 376.413 3.556 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228675091 1033037991 /nfs/dbraw/zinc/03/79/91/1033037991.db2.gz OCQBWOSQLNDRLD-ABAIWWIYSA-N -1 3 394.403 3.506 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228684924 1033042141 /nfs/dbraw/zinc/04/21/41/1033042141.db2.gz BRVBKISPGCKZKE-AUUYWEPGSA-N -1 3 393.440 3.562 20 5 GHBDHM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001210595937 1027568183 /nfs/dbraw/zinc/56/81/83/1027568183.db2.gz YYLOHGBNKPGDEX-LSDHHAIUSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2F)c1C ZINC001213506802 1028232300 /nfs/dbraw/zinc/23/23/00/1028232300.db2.gz IIPUIHSPYVAFAQ-WBVHZDCISA-N -1 3 378.425 3.516 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)s2)c([N+](=O)[O-])s1 ZINC001213584562 1028279196 /nfs/dbraw/zinc/27/91/96/1028279196.db2.gz NQPRSQFIODZQLJ-UHFFFAOYSA-N -1 3 386.398 3.524 20 5 GHBDHM N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001218647774 1031018485 /nfs/dbraw/zinc/01/84/85/1031018485.db2.gz MNVYGKRJRPQJEO-KRWDZBQOSA-N -1 3 392.846 3.651 20 5 GHBDHM O=[N+]([O-])c1c([O-])ccnc1OC(COc1ccccc1)COc1ccccc1 ZINC001225665957 1031530581 /nfs/dbraw/zinc/53/05/81/1031530581.db2.gz DSDHYZLBAYEWIM-UHFFFAOYSA-N -1 3 382.372 3.601 20 5 GHBDHM COCc1cc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]c(=S)n1 ZINC001225937396 1031703344 /nfs/dbraw/zinc/70/33/44/1031703344.db2.gz FWMZBKCPLXBUOR-LBPRGKRZSA-N -1 3 375.328 3.502 20 5 GHBDHM Cc1ccc(CSc2nc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)n[n-]2)cc1 ZINC001159363412 1034564504 /nfs/dbraw/zinc/56/45/04/1034564504.db2.gz FUXSMKDTXOLSJL-UHFFFAOYSA-N -1 3 383.433 3.874 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCC2)c(F)c1 ZINC001208184222 1034780646 /nfs/dbraw/zinc/78/06/46/1034780646.db2.gz SEZDJPNNYWDOBI-UHFFFAOYSA-N -1 3 392.452 3.914 20 5 GHBDHM COC(=O)c1nc(Cl)nc(Cl)c1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248598762 1035981566 /nfs/dbraw/zinc/98/15/66/1035981566.db2.gz RGZRJPSWHKRIIY-UHFFFAOYSA-N -1 3 377.571 3.875 20 5 GHBDHM Cc1ccc(N2CCC[C@@H](Oc3nc4cc(Cl)c([N+](=O)[O-])cc4[n-]3)C2)nc1 ZINC001233505811 1039396109 /nfs/dbraw/zinc/39/61/09/1039396109.db2.gz HKHMTVVMEPWFMQ-GFCCVEGCSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1ccc(N2CCC[C@@H](Oc3nc4cc([N+](=O)[O-])c(Cl)cc4[n-]3)C2)nc1 ZINC001233505811 1039396122 /nfs/dbraw/zinc/39/61/22/1039396122.db2.gz HKHMTVVMEPWFMQ-GFCCVEGCSA-N -1 3 387.827 3.876 20 5 GHBDHM O=c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(-c2ccccc2)[n-]1 ZINC001307648798 1049475021 /nfs/dbraw/zinc/47/50/21/1049475021.db2.gz SXFWPAZJTRZGDQ-UHFFFAOYSA-N -1 3 376.416 3.922 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c([N+](=O)[O-])s1 ZINC001309048089 1050299491 /nfs/dbraw/zinc/29/94/91/1050299491.db2.gz LUJLCYJFCKPALL-UHFFFAOYSA-N -1 3 376.459 3.639 20 5 GHBDHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309560706 1050814638 /nfs/dbraw/zinc/81/46/38/1050814638.db2.gz IWARRCFORSPPKJ-HZMBPMFUSA-N -1 3 391.287 3.604 20 5 GHBDHM Nc1c(C(=O)Nc2ccc(Cl)cc2[O-])cc(Br)cc1[N+](=O)[O-] ZINC001325255122 1057300245 /nfs/dbraw/zinc/30/02/45/1057300245.db2.gz ZGOZIRSAPPFGMN-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM CCN(CC)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC001441306468 1058745506 /nfs/dbraw/zinc/74/55/06/1058745506.db2.gz FDLCWAQYEJCGKO-OAHLLOKOSA-N -1 3 397.884 3.828 20 5 GHBDHM Cc1ccc(NC(=O)c2ccc(NCc3nc(C)cc(=O)[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001458468296 1063827886 /nfs/dbraw/zinc/82/78/86/1063827886.db2.gz JEYKYFKZUFAINM-UHFFFAOYSA-N -1 3 393.403 3.572 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1[N+](=O)[O-] ZINC001464295355 1064945324 /nfs/dbraw/zinc/94/53/24/1064945324.db2.gz WZOPWWASFHHYEV-UHFFFAOYSA-N -1 3 393.223 3.828 20 5 GHBDHM COc1cc(C(=O)Nc2ccc([O-])cc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC001470055974 1068546796 /nfs/dbraw/zinc/54/67/96/1068546796.db2.gz WEZHLQZTDSYZIK-UHFFFAOYSA-N -1 3 388.710 3.816 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC001475057434 1074714589 /nfs/dbraw/zinc/71/45/89/1074714589.db2.gz SASHQJBNZRGLDK-ZJUUUORDSA-N -1 3 386.417 3.612 20 5 GHBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475063393 1074718280 /nfs/dbraw/zinc/71/82/80/1074718280.db2.gz NOXSFZCRKVLPRJ-STQMWFEESA-N -1 3 378.903 3.591 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(OC(C)(C)C)c1 ZINC001475091848 1074733636 /nfs/dbraw/zinc/73/36/36/1074733636.db2.gz HSUOJUUUTNCDEZ-UHFFFAOYSA-N -1 3 392.477 3.867 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(C(F)(F)F)c1 ZINC000823639903 599071404 /nfs/dbraw/zinc/07/14/04/599071404.db2.gz LJGUJVKJUJUTLI-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(C(F)(F)F)c1 ZINC000823639903 599071406 /nfs/dbraw/zinc/07/14/06/599071406.db2.gz LJGUJVKJUJUTLI-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822340685 599528560 /nfs/dbraw/zinc/52/85/60/599528560.db2.gz CGNBYSBNEPBBTA-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822340685 599528563 /nfs/dbraw/zinc/52/85/63/599528563.db2.gz CGNBYSBNEPBBTA-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000820925964 606479504 /nfs/dbraw/zinc/47/95/04/606479504.db2.gz NSWLAONGVVDHAF-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000820925964 606479506 /nfs/dbraw/zinc/47/95/06/606479506.db2.gz NSWLAONGVVDHAF-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826234724 608161969 /nfs/dbraw/zinc/16/19/69/608161969.db2.gz KZXPYFUGIICHDP-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826234724 608161971 /nfs/dbraw/zinc/16/19/71/608161971.db2.gz KZXPYFUGIICHDP-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826267434 608162033 /nfs/dbraw/zinc/16/20/33/608162033.db2.gz FTVVOXJZSQNQSX-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826267434 608162034 /nfs/dbraw/zinc/16/20/34/608162034.db2.gz FTVVOXJZSQNQSX-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(C(F)F)cc1 ZINC000826451193 608162071 /nfs/dbraw/zinc/16/20/71/608162071.db2.gz VEHCLDCITWORAE-UHFFFAOYSA-N -1 3 394.725 3.618 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(C(F)F)cc1 ZINC000826451193 608162072 /nfs/dbraw/zinc/16/20/72/608162072.db2.gz VEHCLDCITWORAE-UHFFFAOYSA-N -1 3 394.725 3.618 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824656754 608416224 /nfs/dbraw/zinc/41/62/24/608416224.db2.gz MJLCZZYDKNMRSH-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824656754 608416225 /nfs/dbraw/zinc/41/62/25/608416225.db2.gz MJLCZZYDKNMRSH-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826499429 608869705 /nfs/dbraw/zinc/86/97/05/608869705.db2.gz IHVJIYANCHIOPN-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869234 609597215 /nfs/dbraw/zinc/59/72/15/609597215.db2.gz ZJAXPKPTPHGGME-GXSJLCMTSA-N -1 3 392.847 3.829 20 5 GHBDHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869234 609597218 /nfs/dbraw/zinc/59/72/18/609597218.db2.gz ZJAXPKPTPHGGME-GXSJLCMTSA-N -1 3 392.847 3.829 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000431634793 835932560 /nfs/dbraw/zinc/93/25/60/835932560.db2.gz NSLKZZDZSUSDPL-AULYBMBSSA-N -1 3 384.816 3.612 20 5 GHBDHM CCCCOc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC001211528409 844145772 /nfs/dbraw/zinc/14/57/72/844145772.db2.gz KADFEUZRULHTKP-UHFFFAOYSA-N -1 3 398.868 3.906 20 5 GHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473387636 844277571 /nfs/dbraw/zinc/27/75/71/844277571.db2.gz JAMJMGDMNNPBMD-UHFFFAOYSA-N -1 3 393.787 3.740 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] ZINC000120152160 838270551 /nfs/dbraw/zinc/27/05/51/838270551.db2.gz GBMBVAIIRQYWCF-UHFFFAOYSA-N -1 3 391.390 3.644 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)ccc1[N+](=O)[O-] ZINC000108248988 841561924 /nfs/dbraw/zinc/56/19/24/841561924.db2.gz QBFBDVMHDZCELH-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM CC(C)CC(=O)Nc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302180251 861233675 /nfs/dbraw/zinc/23/36/75/861233675.db2.gz NSNGJOSXQOFVRI-UHFFFAOYSA-N -1 3 397.478 3.788 20 5 GHBDHM Cc1nc2ccc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cc2s1 ZINC000432501095 842717583 /nfs/dbraw/zinc/71/75/83/842717583.db2.gz OXNJHTMZJGOYRH-UHFFFAOYSA-N -1 3 379.401 3.577 20 5 GHBDHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000481449820 861417637 /nfs/dbraw/zinc/41/76/37/861417637.db2.gz FGPBNSBBLVVBNL-UHFFFAOYSA-N -1 3 393.237 3.657 20 5 GHBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000131485269 861418723 /nfs/dbraw/zinc/41/87/23/861418723.db2.gz CAOFDRUZINLDEZ-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM CCc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1cccc(Cl)c1 ZINC000067154100 845259754 /nfs/dbraw/zinc/25/97/54/845259754.db2.gz XPJRFTQIRASQSW-UHFFFAOYSA-N -1 3 389.774 3.783 20 5 GHBDHM COc1cccc([C@@H](C)CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000440094308 850785155 /nfs/dbraw/zinc/78/51/55/850785155.db2.gz ASJFOFDBCRDAAO-ZDUSSCGKSA-N -1 3 380.404 3.548 20 5 GHBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000473635358 851319789 /nfs/dbraw/zinc/31/97/89/851319789.db2.gz AAQDJKCDSDTCII-UHFFFAOYSA-N -1 3 387.461 3.908 20 5 GHBDHM O=C(NCc1ncccc1[O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000473645422 851378458 /nfs/dbraw/zinc/37/84/58/851378458.db2.gz WXUGOBACNMQRGH-UHFFFAOYSA-N -1 3 381.413 3.777 20 5 GHBDHM COc1c([O-])ccc(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)c1[N+](=O)[O-] ZINC000894815307 852257763 /nfs/dbraw/zinc/25/77/63/852257763.db2.gz JRTHESSELUJCJC-UHFFFAOYSA-N -1 3 397.353 3.799 20 5 GHBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163367739 862386048 /nfs/dbraw/zinc/38/60/48/862386048.db2.gz IDVUDVHJQBLMGZ-GXSJLCMTSA-N -1 3 398.428 3.566 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(Cl)c3)cs2)n1 ZINC000427268864 852920110 /nfs/dbraw/zinc/92/01/10/852920110.db2.gz ZVBQXBKLBWMPAD-UHFFFAOYSA-N -1 3 377.813 3.840 20 5 GHBDHM CSc1ccc([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000572005157 854350959 /nfs/dbraw/zinc/35/09/59/854350959.db2.gz OFCBYVWPAYYYPJ-KRWDZBQOSA-N -1 3 375.450 3.730 20 5 GHBDHM CCc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1[N+](=O)[O-] ZINC000485123761 856138687 /nfs/dbraw/zinc/13/86/87/856138687.db2.gz NELKTRWFRDCLGG-UHFFFAOYSA-N -1 3 377.360 3.941 20 5 GHBDHM CCc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1[N+](=O)[O-] ZINC000485123761 856138697 /nfs/dbraw/zinc/13/86/97/856138697.db2.gz NELKTRWFRDCLGG-UHFFFAOYSA-N -1 3 377.360 3.941 20 5 GHBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172331891 856400882 /nfs/dbraw/zinc/40/08/82/856400882.db2.gz RGQYIGJGBOYSTJ-UHFFFAOYSA-N -1 3 382.444 3.527 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c(C)c([N+](=O)[O-])c1 ZINC000485936545 857246478 /nfs/dbraw/zinc/24/64/78/857246478.db2.gz RSKNBQVXZQYXRN-UHFFFAOYSA-N -1 3 399.334 3.736 20 5 GHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000439243021 858821507 /nfs/dbraw/zinc/82/15/07/858821507.db2.gz CSLCJGDFAHRLAC-UHFFFAOYSA-N -1 3 395.346 3.835 20 5 GHBDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609198386 881683837 /nfs/dbraw/zinc/68/38/37/881683837.db2.gz LZRTXNKQPGOTEX-UHFFFAOYSA-N -1 3 398.868 3.556 20 5 GHBDHM Cc1ccc2nc(C)c(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cc2c1 ZINC000609202195 881714238 /nfs/dbraw/zinc/71/42/38/881714238.db2.gz KBBLUIMQUUQNFP-UHFFFAOYSA-N -1 3 387.399 3.824 20 5 GHBDHM O=C(Nc1ccccc1NCCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000480824314 865359604 /nfs/dbraw/zinc/35/96/04/865359604.db2.gz BWJNYJWLQHKVST-UHFFFAOYSA-N -1 3 392.415 3.992 20 5 GHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000442920131 869075518 /nfs/dbraw/zinc/07/55/18/869075518.db2.gz BUQMWGSPXFVUHS-UHFFFAOYSA-N -1 3 381.266 3.933 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462677319 869886008 /nfs/dbraw/zinc/88/60/08/869886008.db2.gz LKFVSPSTGPSLEV-SECBINFHSA-N -1 3 390.795 3.608 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000447034305 870887909 /nfs/dbraw/zinc/88/79/09/870887909.db2.gz QJIDXKZSDMTSEM-UHFFFAOYSA-N -1 3 386.351 3.581 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1C ZINC001193799963 871313005 /nfs/dbraw/zinc/31/30/05/871313005.db2.gz DPEDZWOJJJHDRE-QWHCGFSZSA-N -1 3 392.399 3.635 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)ncc2I)c1 ZINC001199802810 875194343 /nfs/dbraw/zinc/19/43/43/875194343.db2.gz YWGHZGZSBRPUEI-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Br)nc2N2CCCCC2)c1 ZINC001199815303 875197218 /nfs/dbraw/zinc/19/72/18/875197218.db2.gz ZRWXNTBGKDEWHC-UHFFFAOYSA-N -1 3 394.229 3.587 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000108153140 876440058 /nfs/dbraw/zinc/44/00/58/876440058.db2.gz JSHVQSJZOPDXFT-UHFFFAOYSA-N -1 3 390.389 3.522 20 5 GHBDHM Cc1ccc(C(=O)CCCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000493319912 879378043 /nfs/dbraw/zinc/37/80/43/879378043.db2.gz KVRNZCSLYZOYJT-UHFFFAOYSA-N -1 3 392.415 3.707 20 5 GHBDHM CCc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cnn1C1CCCC1 ZINC000476961687 883481848 /nfs/dbraw/zinc/48/18/48/883481848.db2.gz ROPCJJJHHCNMNP-UHFFFAOYSA-N -1 3 394.435 3.533 20 5 GHBDHM CC(C)(c1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1)c1ccccc1 ZINC001184132366 913018374 /nfs/dbraw/zinc/01/83/74/913018374.db2.gz UNTNFIXWOCUUPM-UHFFFAOYSA-N -1 3 384.417 3.730 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393714 889534252 /nfs/dbraw/zinc/53/42/52/889534252.db2.gz DAWVTADLBYARQH-UHFFFAOYSA-N -1 3 393.808 3.895 20 5 GHBDHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000811831300 890016435 /nfs/dbraw/zinc/01/64/35/890016435.db2.gz DXOZIEKVWYBXFH-UHFFFAOYSA-N -1 3 388.804 3.643 20 5 GHBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CCCC2)n1 ZINC000497366195 891253351 /nfs/dbraw/zinc/25/33/51/891253351.db2.gz IPPUMKKZBWLGEF-UHFFFAOYSA-N -1 3 395.506 3.724 20 5 GHBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1OC ZINC000813244829 891400424 /nfs/dbraw/zinc/40/04/24/891400424.db2.gz SMIGWJTYJBVUAU-UHFFFAOYSA-N -1 3 395.755 3.816 20 5 GHBDHM COc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000565037764 895362130 /nfs/dbraw/zinc/36/21/30/895362130.db2.gz HDRRVQQPEKKWJP-LJQANCHMSA-N -1 3 385.420 3.551 20 5 GHBDHM Cc1cc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000826272719 896858278 /nfs/dbraw/zinc/85/82/78/896858278.db2.gz YCHRWIIWZSCSMG-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1cc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000826272719 896858288 /nfs/dbraw/zinc/85/82/88/896858288.db2.gz YCHRWIIWZSCSMG-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM C[C@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc([N+](=O)[O-])c1 ZINC000568826643 898138698 /nfs/dbraw/zinc/13/86/98/898138698.db2.gz XKFWHHWKFMCOBH-NSHDSACASA-N -1 3 377.360 3.868 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c([O-])cccc1Cl ZINC000570088329 899116142 /nfs/dbraw/zinc/11/61/42/899116142.db2.gz YGFLASYZWGKFAD-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000600798361 902932036 /nfs/dbraw/zinc/93/20/36/902932036.db2.gz ALNBZKCGHNBLCF-QAPCUYQASA-N -1 3 383.448 3.905 20 5 GHBDHM Cc1ccc(Cl)c(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837322 903523965 /nfs/dbraw/zinc/52/39/65/903523965.db2.gz FXHOJPQIIMODLM-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1ccc(Cl)c(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837322 903523967 /nfs/dbraw/zinc/52/39/67/903523967.db2.gz FXHOJPQIIMODLM-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001212935642 911769587 /nfs/dbraw/zinc/76/95/87/911769587.db2.gz FEELSLPDKDEMSQ-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM Cc1cc(Br)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212937253 911787538 /nfs/dbraw/zinc/78/75/38/911787538.db2.gz VNDRKWKHQYAUDF-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000466874578 926348276 /nfs/dbraw/zinc/34/82/76/926348276.db2.gz YFENHZHDGVMVMK-UHFFFAOYSA-N -1 3 384.454 3.551 20 5 GHBDHM O=C(NCc1ncccc1[O-])Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467924187 929594702 /nfs/dbraw/zinc/59/47/02/929594702.db2.gz HTWCWKBDJATLNX-UHFFFAOYSA-N -1 3 380.360 3.809 20 5 GHBDHM O=C(Nc1cccc(COc2ccc(F)cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000560994346 933762191 /nfs/dbraw/zinc/76/21/91/933762191.db2.gz MQEWSYYQTZZWEL-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM O=C([N-][C@H](c1ccccc1)c1ccccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777894937 934013879 /nfs/dbraw/zinc/01/38/79/934013879.db2.gz PWLSYURVFUECDJ-GOSISDBHSA-N -1 3 383.354 3.987 20 5 GHBDHM O=C([N-]c1nc2cc3c(cc2s1)OCCCO3)c1c(F)cccc1[N+](=O)[O-] ZINC001124516662 935402222 /nfs/dbraw/zinc/40/22/22/935402222.db2.gz QRLXFHOVEUXQDU-UHFFFAOYSA-N -1 3 389.364 3.757 20 5 GHBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001575510063 949119464 /nfs/dbraw/zinc/11/94/64/949119464.db2.gz FMUXBGRQJFFMGU-LBPRGKRZSA-N -1 3 375.392 3.521 20 5 GHBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001575510063 949119468 /nfs/dbraw/zinc/11/94/68/949119468.db2.gz FMUXBGRQJFFMGU-LBPRGKRZSA-N -1 3 375.392 3.521 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591791345 975983445 /nfs/dbraw/zinc/98/34/45/975983445.db2.gz TVRRHYAHBJYVJM-SFHVURJKSA-N -1 3 398.415 3.914 20 5 GHBDHM C[C@@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743261 1032539031 /nfs/dbraw/zinc/53/90/31/1032539031.db2.gz KDDBFMKJUOCDRS-YPMHNXCESA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743261 1032539039 /nfs/dbraw/zinc/53/90/39/1032539039.db2.gz KDDBFMKJUOCDRS-YPMHNXCESA-N -1 3 376.413 3.638 20 5 GHBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155996775 1032828506 /nfs/dbraw/zinc/82/85/06/1032828506.db2.gz TVPQTUPTUAUHBA-UHFFFAOYSA-N -1 3 399.439 3.830 20 5 GHBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155996775 1032828522 /nfs/dbraw/zinc/82/85/22/1032828522.db2.gz TVPQTUPTUAUHBA-UHFFFAOYSA-N -1 3 399.439 3.830 20 5 GHBDHM Cc1cc2nc(O[C@H](C(=O)c3ccccn3)c3ccccn3)[n-]c2cc1[N+](=O)[O-] ZINC001228673256 1033037366 /nfs/dbraw/zinc/03/73/66/1033037366.db2.gz DNVRFATYTAQZQC-IBGZPJMESA-N -1 3 389.371 3.573 20 5 GHBDHM Cc1cc2[n-]c(O[C@H](C(=O)c3ccccn3)c3ccccn3)nc2cc1[N+](=O)[O-] ZINC001228673256 1033037381 /nfs/dbraw/zinc/03/73/81/1033037381.db2.gz DNVRFATYTAQZQC-IBGZPJMESA-N -1 3 389.371 3.573 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCC34CN(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228675446 1033038373 /nfs/dbraw/zinc/03/83/73/1033038373.db2.gz QBRAEVWPNQBABI-OAHLLOKOSA-N -1 3 388.424 3.558 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3[C@@H]4CC[C@H]3N(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228678629 1033040063 /nfs/dbraw/zinc/04/00/63/1033040063.db2.gz XAKTVTWIJBIDTB-DJSGYFEHSA-N -1 3 388.424 3.556 20 5 GHBDHM C[C@@H](Oc1cc(O)cc([O-])c1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229098928 1033278466 /nfs/dbraw/zinc/27/84/66/1033278466.db2.gz GSEHPKPGXWJVJW-SSDOTTSWSA-N -1 3 398.165 3.637 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC001211349428 1027917438 /nfs/dbraw/zinc/91/74/38/1027917438.db2.gz YDXWZIXTAPJSIZ-GFCCVEGCSA-N -1 3 382.404 3.857 20 5 GHBDHM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH2+]Cc5ccccc54)cc3c([O-])c1-2 ZINC001218488473 1030958936 /nfs/dbraw/zinc/95/89/36/1030958936.db2.gz XNSXNVUCCJJYCN-FQEVSTJZSA-N -1 3 375.380 3.581 20 5 GHBDHM Cc1cc([O-])c(OC[C@H]2CN(Cc3ccccc3)CC(C)(C)O2)cc1[N+](=O)[O-] ZINC001229752003 1033687532 /nfs/dbraw/zinc/68/75/32/1033687532.db2.gz ALPLIINSYNMFNU-QGZVFWFLSA-N -1 3 386.448 3.667 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233501178 1039393915 /nfs/dbraw/zinc/39/39/15/1039393915.db2.gz XLOXLRJAHLEXPO-SNVBAGLBSA-N -1 3 396.831 3.903 20 5 GHBDHM COc1c([O-])cc(O[C@H](C)C(=O)OC(C)(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234169826 1039904929 /nfs/dbraw/zinc/90/49/29/1039904929.db2.gz GRNMHKHEPGMGOA-GFCCVEGCSA-N -1 3 399.443 3.515 20 5 GHBDHM CCC[C@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OCC ZINC001234170487 1039905095 /nfs/dbraw/zinc/90/50/95/1039905095.db2.gz JDURXXRWCVBFMZ-INIZCTEOSA-N -1 3 399.443 3.517 20 5 GHBDHM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001309563822 1050815668 /nfs/dbraw/zinc/81/56/68/1050815668.db2.gz OQBCDFFGXXSZII-LBPRGKRZSA-N -1 3 398.506 3.521 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001320519280 1055856483 /nfs/dbraw/zinc/85/64/83/1055856483.db2.gz QNWQVUBORAWOKY-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)nc21 ZINC001439999691 1058383253 /nfs/dbraw/zinc/38/32/53/1058383253.db2.gz SZZHYGRSKDMBKR-UHFFFAOYSA-N -1 3 396.403 3.564 20 5 GHBDHM CCC1(CC)CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC001457876834 1063410863 /nfs/dbraw/zinc/41/08/63/1063410863.db2.gz MGDJAMDEAKTOED-UHFFFAOYSA-N -1 3 376.438 3.699 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C(C)C)cc2)c([N+](=O)[O-])s1 ZINC001463674185 1064542665 /nfs/dbraw/zinc/54/26/65/1064542665.db2.gz OYNPCUHZHKMYPG-GFCCVEGCSA-N -1 3 398.506 3.834 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](OCCC(C)C)CC2)c([N+](=O)[O-])s1 ZINC001464108158 1064827725 /nfs/dbraw/zinc/82/77/25/1064827725.db2.gz CTAXCQNJBCOSNJ-HDJSIYSDSA-N -1 3 390.527 3.617 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(c3ccccc3)CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001464138103 1064850384 /nfs/dbraw/zinc/85/03/84/1064850384.db2.gz XPGCLVGXIUELHC-LJQANCHMSA-N -1 3 392.452 3.689 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CCC2)c(Cl)c1 ZINC001464463485 1065024945 /nfs/dbraw/zinc/02/49/45/1065024945.db2.gz MBLRWLXDBTWTBM-UHFFFAOYSA-N -1 3 398.843 3.788 20 5 GHBDHM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475497158 1074895447 /nfs/dbraw/zinc/89/54/47/1074895447.db2.gz IHSWRIBNHNLXKQ-AWEZNQCLSA-N -1 3 382.869 3.938 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001475611785 1074926826 /nfs/dbraw/zinc/92/68/26/1074926826.db2.gz OEEOVFHNUARSDC-ZYHUDNBSSA-N -1 3 398.790 3.732 20 5 GHBDHM O=C([N-]c1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004348554 204040755 /nfs/dbraw/zinc/04/07/55/204040755.db2.gz CYGURSNGBJGZJU-UHFFFAOYSA-N -1 3 391.792 3.881 20 5 GHBDHM O=[N+]([O-])c1cc(CNCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cs1 ZINC000738359655 598888201 /nfs/dbraw/zinc/88/82/01/598888201.db2.gz LHYJHDSVHQPKNG-UHFFFAOYSA-N -1 3 398.473 3.855 20 5 GHBDHM CCc1ccc([C@@H]2C[C@H](C)CCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821482924 599110712 /nfs/dbraw/zinc/11/07/12/599110712.db2.gz WOSNYSZBIHUHOI-PXAZEXFGSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@@H]2C[C@H](C)CCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821482924 599110714 /nfs/dbraw/zinc/11/07/14/599110714.db2.gz WOSNYSZBIHUHOI-PXAZEXFGSA-N -1 3 382.424 3.908 20 5 GHBDHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000735762290 598675087 /nfs/dbraw/zinc/67/50/87/598675087.db2.gz WXCDDVOLGLPZTE-ZDUSSCGKSA-N -1 3 397.439 3.595 20 5 GHBDHM CC(C)C[C@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC000735762290 598675090 /nfs/dbraw/zinc/67/50/90/598675090.db2.gz WXCDDVOLGLPZTE-ZDUSSCGKSA-N -1 3 397.439 3.595 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccncc3)c2)c(-c2nnn[n-]2)c1 ZINC000738367360 598756753 /nfs/dbraw/zinc/75/67/53/598756753.db2.gz ROEWFLUVBLWGPJ-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccncc3)c2)c(-c2nn[n-]n2)c1 ZINC000738367360 598756755 /nfs/dbraw/zinc/75/67/55/598756755.db2.gz ROEWFLUVBLWGPJ-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@H](CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820254772 599520518 /nfs/dbraw/zinc/52/05/18/599520518.db2.gz WVZPNQJAFUSVAY-CYBMUJFWSA-N -1 3 389.419 3.563 20 5 GHBDHM C[C@H](CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820254772 599520522 /nfs/dbraw/zinc/52/05/22/599520522.db2.gz WVZPNQJAFUSVAY-CYBMUJFWSA-N -1 3 389.419 3.563 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(C(F)(F)F)cs1 ZINC000820927138 599688519 /nfs/dbraw/zinc/68/85/19/599688519.db2.gz ZOXRKSODNUWZOG-VIFPVBQESA-N -1 3 399.358 3.813 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(C(F)(F)F)cs1 ZINC000820927138 599688520 /nfs/dbraw/zinc/68/85/20/599688520.db2.gz ZOXRKSODNUWZOG-VIFPVBQESA-N -1 3 399.358 3.813 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574820 604680755 /nfs/dbraw/zinc/68/07/55/604680755.db2.gz NZXRGWNFHHPPFV-ZLDLUXBVSA-N -1 3 383.242 3.575 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555371 606354635 /nfs/dbraw/zinc/35/46/35/606354635.db2.gz JZOQDISOLIBQKA-VXGBXAGGSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555371 606354637 /nfs/dbraw/zinc/35/46/37/606354637.db2.gz JZOQDISOLIBQKA-VXGBXAGGSA-N -1 3 399.432 3.560 20 5 GHBDHM Cc1cc(N2CCCC[C@H]2C)ccc1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822207054 606719869 /nfs/dbraw/zinc/71/98/69/606719869.db2.gz JLZDGNGDUGNCGQ-CYBMUJFWSA-N -1 3 394.439 3.601 20 5 GHBDHM COc1ccccc1[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826219277 608124302 /nfs/dbraw/zinc/12/43/02/608124302.db2.gz XHNDLLWODHXNKH-HNNXBMFYSA-N -1 3 380.408 3.515 20 5 GHBDHM COc1ccccc1[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826219277 608124303 /nfs/dbraw/zinc/12/43/03/608124303.db2.gz XHNDLLWODHXNKH-HNNXBMFYSA-N -1 3 380.408 3.515 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nnn[n-]2)c1 ZINC000826498727 609150413 /nfs/dbraw/zinc/15/04/13/609150413.db2.gz HIGQNWWWZKLPNV-KRWDZBQOSA-N -1 3 394.439 3.576 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nn[n-]n2)c1 ZINC000826498727 609150415 /nfs/dbraw/zinc/15/04/15/609150415.db2.gz HIGQNWWWZKLPNV-KRWDZBQOSA-N -1 3 394.439 3.576 20 5 GHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000613244678 837464858 /nfs/dbraw/zinc/46/48/58/837464858.db2.gz AMJDNMAFVOPWHC-OAHLLOKOSA-N -1 3 394.431 3.623 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)ccc1[N+](=O)[O-] ZINC000581746006 837571616 /nfs/dbraw/zinc/57/16/16/837571616.db2.gz AZPJGHGCBQRWKU-UHFFFAOYSA-N -1 3 398.824 3.519 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000549774590 844252841 /nfs/dbraw/zinc/25/28/41/844252841.db2.gz XDRDYZVGYMSGOM-UHFFFAOYSA-N -1 3 387.779 3.976 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2cccs2)n1 ZINC000103202309 838377036 /nfs/dbraw/zinc/37/70/36/838377036.db2.gz DRDIOIHMPRLUTJ-UHFFFAOYSA-N -1 3 398.429 3.817 20 5 GHBDHM CC(C)c1cc(Br)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185895636 861843610 /nfs/dbraw/zinc/84/36/10/861843610.db2.gz PEGANPWHCDRCKF-UHFFFAOYSA-N -1 3 380.198 3.834 20 5 GHBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000176718208 847930534 /nfs/dbraw/zinc/93/05/34/847930534.db2.gz OIDUBMMYUGZVPZ-UHFFFAOYSA-N -1 3 389.886 3.535 20 5 GHBDHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001211555823 848252373 /nfs/dbraw/zinc/25/23/73/848252373.db2.gz SXDURPVVCJJTGC-ZDUSSCGKSA-N -1 3 398.481 3.810 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(C(F)(F)F)c1 ZINC000162751677 862106798 /nfs/dbraw/zinc/10/67/98/862106798.db2.gz FASSOTBQDBUQKA-GFCCVEGCSA-N -1 3 390.339 3.563 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847586 852263880 /nfs/dbraw/zinc/26/38/80/852263880.db2.gz FIQDIWOQGCOPHA-OAHLLOKOSA-N -1 3 390.465 3.736 20 5 GHBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436795323 852354166 /nfs/dbraw/zinc/35/41/66/852354166.db2.gz FFJJQSFJQOPHEG-NVXWUHKLSA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1Cc1ccc(C)cc1 ZINC000518064575 852799362 /nfs/dbraw/zinc/79/93/62/852799362.db2.gz MPBLPFHGXVYJPG-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000519889852 853585891 /nfs/dbraw/zinc/58/58/91/853585891.db2.gz QBGJXKPDPDSJIT-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM Cc1c([N-]S(=O)(=O)Cc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000571920149 854180302 /nfs/dbraw/zinc/18/03/02/854180302.db2.gz PBVCSFADNOVIBR-UHFFFAOYSA-N -1 3 385.239 3.608 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c(Cl)c1 ZINC000055989351 854296351 /nfs/dbraw/zinc/29/63/51/854296351.db2.gz ONXDRGGSUSESRW-QGZVFWFLSA-N -1 3 392.820 3.909 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000057139280 855243936 /nfs/dbraw/zinc/24/39/36/855243936.db2.gz XACGALHQVGZPLQ-UHFFFAOYSA-N -1 3 393.802 3.948 20 5 GHBDHM O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485406776 856465563 /nfs/dbraw/zinc/46/55/63/856465563.db2.gz NQXBVCWUZWEYAV-UHFFFAOYSA-N -1 3 386.751 3.788 20 5 GHBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)c(C(C)=O)s2)c1[N+](=O)[O-] ZINC000174027137 857198857 /nfs/dbraw/zinc/19/88/57/857198857.db2.gz UKVFHFWMJYSSTK-UHFFFAOYSA-N -1 3 399.432 3.849 20 5 GHBDHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175219387 857466884 /nfs/dbraw/zinc/46/68/84/857466884.db2.gz FTRATYPQCOCHKU-UHFFFAOYSA-N -1 3 390.359 3.596 20 5 GHBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000439151974 858542586 /nfs/dbraw/zinc/54/25/86/858542586.db2.gz JAHISVJOGOIBBR-UHFFFAOYSA-N -1 3 391.214 3.895 20 5 GHBDHM Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000596065172 858769302 /nfs/dbraw/zinc/76/93/02/858769302.db2.gz FJCSTDKHSGEFCW-UHFFFAOYSA-N -1 3 385.449 3.940 20 5 GHBDHM O=[N+]([O-])c1ccc(NC(=S)NCc2ccc([O-])c(Br)c2)cc1 ZINC000764524586 859484539 /nfs/dbraw/zinc/48/45/39/859484539.db2.gz NEEYGXHETDQIHS-UHFFFAOYSA-N -1 3 382.239 3.550 20 5 GHBDHM CC(C)CCc1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000597872205 859866992 /nfs/dbraw/zinc/86/69/92/859866992.db2.gz MUXLCAMTXRSQSZ-UHFFFAOYSA-N -1 3 386.380 3.889 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(Cl)c2ncccc12 ZINC000554865373 865083124 /nfs/dbraw/zinc/08/31/24/865083124.db2.gz LPFHHYOQXJZTLE-UHFFFAOYSA-N -1 3 393.790 3.861 20 5 GHBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741759066 866766412 /nfs/dbraw/zinc/76/64/12/866766412.db2.gz WGNKMTPJLPFEOX-MFKMUULPSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000534684037 867245488 /nfs/dbraw/zinc/24/54/88/867245488.db2.gz XAJFIJRENQSTKY-UHFFFAOYSA-N -1 3 380.813 3.542 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CCC(C(F)(F)F)CC1 ZINC000444823869 867269058 /nfs/dbraw/zinc/26/90/58/867269058.db2.gz HAKCKSOGIMELDB-UHFFFAOYSA-N -1 3 382.342 3.714 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Sc1ccccc1 ZINC000462624666 869783912 /nfs/dbraw/zinc/78/39/12/869783912.db2.gz MIVDPURHXVNPII-LLVKDONJSA-N -1 3 386.882 3.707 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(C(F)(F)F)c1 ZINC000539944165 870052389 /nfs/dbraw/zinc/05/23/89/870052389.db2.gz UTWZXINKDZZSSI-CYBMUJFWSA-N -1 3 378.372 3.615 20 5 GHBDHM O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)F)c(NCc2ncccc2[O-])nn1 ZINC001169731937 871828366 /nfs/dbraw/zinc/82/83/66/871828366.db2.gz UFGHKBUAGGPIPE-UHFFFAOYSA-N -1 3 391.309 3.783 20 5 GHBDHM COc1ccc([N-]C(=O)c2cc3sc(N(C)C)nc3s2)c([N+](=O)[O-])c1 ZINC000182238937 872060580 /nfs/dbraw/zinc/06/05/80/872060580.db2.gz AZHDECGLCOMAPE-UHFFFAOYSA-N -1 3 378.435 3.593 20 5 GHBDHM COC(=O)c1cc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC001201229189 875565192 /nfs/dbraw/zinc/56/51/92/875565192.db2.gz GSYMPOOSEOBTFG-UHFFFAOYSA-N -1 3 381.182 3.902 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000029938173 875692181 /nfs/dbraw/zinc/69/21/81/875692181.db2.gz JZIVWVFBYSEUDF-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000030357031 876008784 /nfs/dbraw/zinc/00/87/84/876008784.db2.gz CKSKGQGNSYFZHR-UHFFFAOYSA-N -1 3 398.868 3.556 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610011801 877293737 /nfs/dbraw/zinc/29/37/37/877293737.db2.gz RIKXZODDVDDRQU-UHFFFAOYSA-N -1 3 395.390 3.982 20 5 GHBDHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193467005 877356821 /nfs/dbraw/zinc/35/68/21/877356821.db2.gz MELFFOSYEBSUPC-UHFFFAOYSA-N -1 3 393.399 3.707 20 5 GHBDHM COc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc([N+](=O)[O-])c1C ZINC000616231225 878705765 /nfs/dbraw/zinc/70/57/65/878705765.db2.gz WHXNNAIKMAIHDG-UHFFFAOYSA-N -1 3 381.182 3.632 20 5 GHBDHM CC[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(OC)cc1 ZINC000538426508 879459777 /nfs/dbraw/zinc/45/97/77/879459777.db2.gz MAJCPDCLKCRDKJ-KRWDZBQOSA-N -1 3 380.404 3.548 20 5 GHBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790645351 879909967 /nfs/dbraw/zinc/90/99/67/879909967.db2.gz DKZOGYCXYIVRSS-UHFFFAOYSA-N -1 3 380.813 3.542 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000790937595 880075402 /nfs/dbraw/zinc/07/54/02/880075402.db2.gz YWGKXQGCZXRKDN-QMMMGPOBSA-N -1 3 396.368 3.594 20 5 GHBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000791507752 880469494 /nfs/dbraw/zinc/46/94/94/880469494.db2.gz LMEZDJQTOKISTA-UHFFFAOYSA-N -1 3 397.290 3.755 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000757348356 881292223 /nfs/dbraw/zinc/29/22/23/881292223.db2.gz KROFROLUHFSXQE-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175081530 883242816 /nfs/dbraw/zinc/24/28/16/883242816.db2.gz FIQREZAACZGJQY-UHFFFAOYSA-N -1 3 393.277 3.711 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(F)(F)F ZINC000263528228 885067385 /nfs/dbraw/zinc/06/73/85/885067385.db2.gz VBJQGCJQINSELK-CHWSQXEVSA-N -1 3 384.310 3.550 20 5 GHBDHM CCc1ccc(C(=O)CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000499016343 886356675 /nfs/dbraw/zinc/35/66/75/886356675.db2.gz KLFNWCLLAFWLLC-UHFFFAOYSA-N -1 3 392.415 3.571 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195142336 886469345 /nfs/dbraw/zinc/46/93/45/886469345.db2.gz IJVVAWKVYIVPII-UHFFFAOYSA-N -1 3 399.447 3.793 20 5 GHBDHM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000121724280 889108876 /nfs/dbraw/zinc/10/88/76/889108876.db2.gz UWYFGRGOGNUAGR-UHFFFAOYSA-N -1 3 393.425 3.956 20 5 GHBDHM COc1c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)cccc1[N+](=O)[O-] ZINC000476059534 895073255 /nfs/dbraw/zinc/07/32/55/895073255.db2.gz JPONGZVZQHRAMO-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM C[C@H](c1ccccc1)n1ccc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)n1 ZINC001185757159 914065887 /nfs/dbraw/zinc/06/58/87/914065887.db2.gz XLNXJWYROGFILV-SNVBAGLBSA-N -1 3 380.330 3.897 20 5 GHBDHM CCCN(C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338505 898557212 /nfs/dbraw/zinc/55/72/12/898557212.db2.gz BWTLKZWJCNALBS-MRXNPFEDSA-N -1 3 391.855 3.767 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)cc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823640106 899150897 /nfs/dbraw/zinc/15/08/97/899150897.db2.gz SPRPXXOTMFYFFQ-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001186151674 914333605 /nfs/dbraw/zinc/33/36/05/914333605.db2.gz ZANBKKHSQQJKQF-CYBMUJFWSA-N -1 3 380.441 3.769 20 5 GHBDHM O=C(c1ccccc1)c1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212935607 911769541 /nfs/dbraw/zinc/76/95/41/911769541.db2.gz CIUBYUQKUFKPOG-UHFFFAOYSA-N -1 3 388.339 3.643 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001190025494 917062721 /nfs/dbraw/zinc/06/27/21/917062721.db2.gz SNAMTEZZVBTXGC-GJZGRUSLSA-N -1 3 380.491 3.969 20 5 GHBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000748356002 923590021 /nfs/dbraw/zinc/59/00/21/923590021.db2.gz SRKJFEZAPMWRCA-UHFFFAOYSA-N -1 3 399.203 3.795 20 5 GHBDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000011078020 924566328 /nfs/dbraw/zinc/56/63/28/924566328.db2.gz JUGGNQOWEZRXOD-SECBINFHSA-N -1 3 398.293 3.503 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1[O-] ZINC000560551221 933335065 /nfs/dbraw/zinc/33/50/65/933335065.db2.gz ULOTWQDHJAAGFM-ZDUSSCGKSA-N -1 3 397.431 3.992 20 5 GHBDHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001116338272 933491355 /nfs/dbraw/zinc/49/13/55/933491355.db2.gz ZFSHFAZIVSWGTF-UHFFFAOYSA-N -1 3 395.322 3.779 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[C@@H](C)C1 ZINC001576153361 949287668 /nfs/dbraw/zinc/28/76/68/949287668.db2.gz LZAYCHKKLQCFRB-FRRDWIJNSA-N -1 3 381.440 3.950 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[C@@H](C)C1 ZINC001576153361 949287692 /nfs/dbraw/zinc/28/76/92/949287692.db2.gz LZAYCHKKLQCFRB-FRRDWIJNSA-N -1 3 381.440 3.950 20 5 GHBDHM COc1cc(O[C@H](C)c2nccs2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227640449 1032497871 /nfs/dbraw/zinc/49/78/71/1032497871.db2.gz BLZYVWQKCPXHBR-SECBINFHSA-N -1 3 385.397 3.963 20 5 GHBDHM COc1cc(O[C@H](C)c2ccncc2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645954 1032500672 /nfs/dbraw/zinc/50/06/72/1032500672.db2.gz LNGOFVWWPVUEPW-LLVKDONJSA-N -1 3 379.368 3.901 20 5 GHBDHM COc1cc(O[C@H](C)c2cnn(C)c2C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646369 1032500837 /nfs/dbraw/zinc/50/08/37/1032500837.db2.gz RCSKEQGFTCQPBF-LLVKDONJSA-N -1 3 396.399 3.548 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741289 1032537774 /nfs/dbraw/zinc/53/77/74/1032537774.db2.gz KWVUXOJBZPKXBQ-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741289 1032537779 /nfs/dbraw/zinc/53/77/79/1032537779.db2.gz KWVUXOJBZPKXBQ-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)c1ccc(-n2nnnc2Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)cc1 ZINC001162004085 1025532476 /nfs/dbraw/zinc/53/24/76/1025532476.db2.gz CSNIDNMFAFNSEY-UHFFFAOYSA-N -1 3 381.421 3.721 20 5 GHBDHM O=C(c1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC001162367515 1025726142 /nfs/dbraw/zinc/72/61/42/1025726142.db2.gz ZOGMSTNWZWNJOP-UHFFFAOYSA-N -1 3 391.383 3.686 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC001210312147 1027443556 /nfs/dbraw/zinc/44/35/56/1027443556.db2.gz VAGRBDWGIYVUSH-STQMWFEESA-N -1 3 392.399 3.861 20 5 GHBDHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001210595931 1027567795 /nfs/dbraw/zinc/56/77/95/1027567795.db2.gz YYLOHGBNKPGDEX-CABCVRRESA-N -1 3 390.889 3.510 20 5 GHBDHM O=C([N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000840526652 1027598388 /nfs/dbraw/zinc/59/83/88/1027598388.db2.gz IORQZWAUVPFRIA-MUWHJKNJSA-N -1 3 375.105 3.647 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CC(C)C)c(F)cc1[N+](=O)[O-] ZINC001213202145 1028042983 /nfs/dbraw/zinc/04/29/83/1028042983.db2.gz GFCKOLSQICLLEE-UHFFFAOYSA-N -1 3 380.441 3.719 20 5 GHBDHM Cc1ccc([N-]c2nc(Br)cnc2Br)c([N+](=O)[O-])c1 ZINC001214165032 1028576696 /nfs/dbraw/zinc/57/66/96/1028576696.db2.gz JMJFCHXCRHRAQK-UHFFFAOYSA-N -1 3 388.019 3.962 20 5 GHBDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293157 1043959459 /nfs/dbraw/zinc/95/94/59/1043959459.db2.gz ABONNKHKHKHLIW-VHSXEESVSA-N -1 3 390.197 3.710 20 5 GHBDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293157 1043959464 /nfs/dbraw/zinc/95/94/64/1043959464.db2.gz ABONNKHKHKHLIW-VHSXEESVSA-N -1 3 390.197 3.710 20 5 GHBDHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000901552999 1049114816 /nfs/dbraw/zinc/11/48/16/1049114816.db2.gz GRSSCMBKNVVZOB-INIZCTEOSA-N -1 3 375.469 3.662 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001307218015 1049144721 /nfs/dbraw/zinc/14/47/21/1049144721.db2.gz OLUKJUJTBJTYDB-UHFFFAOYSA-N -1 3 393.490 3.540 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001309464343 1050739542 /nfs/dbraw/zinc/73/95/42/1050739542.db2.gz HQWNTDAHLSJJHS-JSGCOSHPSA-N -1 3 384.454 3.718 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nnn(-c2ccccc2)c1C(F)F ZINC001361088515 1061586747 /nfs/dbraw/zinc/58/67/47/1061586747.db2.gz OSTOSTILAVTRHZ-UHFFFAOYSA-N -1 3 377.282 3.505 20 5 GHBDHM O=C([N-]c1c(Cl)cncc1Cl)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001435471720 1062650121 /nfs/dbraw/zinc/65/01/21/1062650121.db2.gz MHPQKLITNFETIO-UHFFFAOYSA-N -1 3 380.109 3.990 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c(F)cc1[N+](=O)[O-] ZINC001463652761 1064528374 /nfs/dbraw/zinc/52/83/74/1064528374.db2.gz UHBPTSJTLHJZKC-ZFWWWQNUSA-N -1 3 396.415 3.796 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCCCC3)cc2)nc1 ZINC001463755684 1064588602 /nfs/dbraw/zinc/58/86/02/1064588602.db2.gz NYUVKBKPTUCDKC-UHFFFAOYSA-N -1 3 375.450 3.516 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC001464249584 1064925950 /nfs/dbraw/zinc/92/59/50/1064925950.db2.gz VXEJNBWOFRJVJG-ITDIGPHOSA-N -1 3 392.399 3.861 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001464308994 1064950490 /nfs/dbraw/zinc/95/04/90/1064950490.db2.gz NJOWCSJVPIRNEO-QWHCGFSZSA-N -1 3 392.399 3.635 20 5 GHBDHM O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469557412 1068223593 /nfs/dbraw/zinc/22/35/93/1068223593.db2.gz RGPFJNUWJOKJQH-QGZVFWFLSA-N -1 3 399.790 3.683 20 5 GHBDHM O=c1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)nc(C2CC2)[n-]1 ZINC001472877721 1073707336 /nfs/dbraw/zinc/70/73/36/1073707336.db2.gz AQYSWYLAUWFSDB-UHFFFAOYSA-N -1 3 381.367 3.781 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])s1 ZINC001475521822 1074903807 /nfs/dbraw/zinc/90/38/07/1074903807.db2.gz ISPRWLXZTNMTTG-KRWDZBQOSA-N -1 3 380.491 3.611 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000823634893 599059467 /nfs/dbraw/zinc/05/94/67/599059467.db2.gz NSIBOUMMVJOUGW-UHFFFAOYSA-N -1 3 396.201 3.828 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000823634893 599059470 /nfs/dbraw/zinc/05/94/70/599059470.db2.gz NSIBOUMMVJOUGW-UHFFFAOYSA-N -1 3 396.201 3.828 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(Cl)c3)cc(-c3nnn[n-]3)c2c1 ZINC000738367315 599254344 /nfs/dbraw/zinc/25/43/44/599254344.db2.gz QOIXZOQTPQFYDD-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(Cl)c3)cc(-c3nn[n-]n3)c2c1 ZINC000738367315 599254346 /nfs/dbraw/zinc/25/43/46/599254346.db2.gz QOIXZOQTPQFYDD-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM CN(Cc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736829129 599255112 /nfs/dbraw/zinc/25/51/12/599255112.db2.gz YUTIZKAVQCWFPI-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM CN(Cc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736829129 599255114 /nfs/dbraw/zinc/25/51/14/599255114.db2.gz YUTIZKAVQCWFPI-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738359828 598369347 /nfs/dbraw/zinc/36/93/47/598369347.db2.gz OAWLNDZSNYOAAC-UHFFFAOYSA-N -1 3 396.588 3.983 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000738359828 598369349 /nfs/dbraw/zinc/36/93/49/598369349.db2.gz OAWLNDZSNYOAAC-UHFFFAOYSA-N -1 3 396.588 3.983 20 5 GHBDHM CC(C)C[C@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000735760400 598675285 /nfs/dbraw/zinc/67/52/85/598675285.db2.gz BIIBRPRSNSPPQZ-ZDUSSCGKSA-N -1 3 397.439 3.595 20 5 GHBDHM CC(C)C[C@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000735760400 598675288 /nfs/dbraw/zinc/67/52/88/598675288.db2.gz BIIBRPRSNSPPQZ-ZDUSSCGKSA-N -1 3 397.439 3.595 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cc(Cl)ccc1OC(F)F ZINC000823629626 599689587 /nfs/dbraw/zinc/68/95/87/599689587.db2.gz CIAKUGZVMXQOBG-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cc(Cl)ccc1OC(F)F ZINC000823629626 599689588 /nfs/dbraw/zinc/68/95/88/599689588.db2.gz CIAKUGZVMXQOBG-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM C[C@@H](c1ccccc1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570396 606448259 /nfs/dbraw/zinc/44/82/59/606448259.db2.gz JBXKQZBQQTUBPW-LBPRGKRZSA-N -1 3 375.392 3.521 20 5 GHBDHM C[C@@H](c1ccccc1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570396 606448261 /nfs/dbraw/zinc/44/82/61/606448261.db2.gz JBXKQZBQQTUBPW-LBPRGKRZSA-N -1 3 375.392 3.521 20 5 GHBDHM CCCCCC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825272200 608162876 /nfs/dbraw/zinc/16/28/76/608162876.db2.gz YVKZOTJKQPYINL-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCCC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825272200 608162878 /nfs/dbraw/zinc/16/28/78/608162878.db2.gz YVKZOTJKQPYINL-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497618 609150634 /nfs/dbraw/zinc/15/06/34/609150634.db2.gz NOJPWMYEOUKGPU-INIZCTEOSA-N -1 3 394.439 3.576 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497618 609150636 /nfs/dbraw/zinc/15/06/36/609150636.db2.gz NOJPWMYEOUKGPU-INIZCTEOSA-N -1 3 394.439 3.576 20 5 GHBDHM COc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000826179881 609421135 /nfs/dbraw/zinc/42/11/35/609421135.db2.gz JIWFFQOBEJENHJ-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000826179881 609421136 /nfs/dbraw/zinc/42/11/36/609421136.db2.gz JIWFFQOBEJENHJ-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)NCC(C)C)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000414460440 838358880 /nfs/dbraw/zinc/35/88/80/838358880.db2.gz JJYCBIAJRRHRGT-UHFFFAOYSA-N -1 3 387.436 3.615 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(OC(F)F)c(F)c2)s1 ZINC000302162064 861225759 /nfs/dbraw/zinc/22/57/59/861225759.db2.gz KBTMGWIKOMACQW-UHFFFAOYSA-N -1 3 382.341 3.544 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487367375 842326389 /nfs/dbraw/zinc/32/63/89/842326389.db2.gz MRIATFXRGARCDI-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000585810173 842381928 /nfs/dbraw/zinc/38/19/28/842381928.db2.gz RCHSDBXZEHSLLP-UHFFFAOYSA-N -1 3 376.113 3.844 20 5 GHBDHM Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581886464 842457555 /nfs/dbraw/zinc/45/75/55/842457555.db2.gz FFZVIPOGEQZJNM-CQSZACIVSA-N -1 3 384.436 3.634 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000512615353 844749593 /nfs/dbraw/zinc/74/95/93/844749593.db2.gz WTNQTSAUGBTXTB-CQSZACIVSA-N -1 3 399.447 3.936 20 5 GHBDHM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000582727199 848160544 /nfs/dbraw/zinc/16/05/44/848160544.db2.gz CPHNEHTZCDLASW-QGZVFWFLSA-N -1 3 383.448 3.702 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000162933783 862217879 /nfs/dbraw/zinc/21/78/79/862217879.db2.gz NDVQOXZMZGRANS-UHFFFAOYSA-N -1 3 380.198 3.693 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000488677917 851701408 /nfs/dbraw/zinc/70/14/08/851701408.db2.gz STHJIODBJLYLQI-UHFFFAOYSA-N -1 3 391.177 3.739 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc([N+](=O)[O-])c1 ZINC000018703121 853791452 /nfs/dbraw/zinc/79/14/52/853791452.db2.gz NXFCHINYEWCHAP-UHFFFAOYSA-N -1 3 398.400 3.542 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175615 855465253 /nfs/dbraw/zinc/46/52/53/855465253.db2.gz TYGSCFFGPXYESA-UHFFFAOYSA-N -1 3 395.868 3.866 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(CC)c([N+](=O)[O-])c3)c2)n1 ZINC000173314836 856849668 /nfs/dbraw/zinc/84/96/68/856849668.db2.gz RGNPFWMJRJSDJV-UHFFFAOYSA-N -1 3 392.415 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)c(F)c1 ZINC000508087769 856884178 /nfs/dbraw/zinc/88/41/78/856884178.db2.gz XRNJCBAKXRANPW-UHFFFAOYSA-N -1 3 396.362 3.668 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000185013732 858857982 /nfs/dbraw/zinc/85/79/82/858857982.db2.gz NZFUHESZVVXWTQ-UHFFFAOYSA-N -1 3 387.323 3.562 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509374325 859216939 /nfs/dbraw/zinc/21/69/39/859216939.db2.gz HAOLZPYKRUAMLL-UHFFFAOYSA-N -1 3 390.339 3.699 20 5 GHBDHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000764433753 859447962 /nfs/dbraw/zinc/44/79/62/859447962.db2.gz DXXDMZRMRBDRLA-UITAMQMPSA-N -1 3 379.372 3.848 20 5 GHBDHM O=c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)[n-]c2scc(-c3ccccc3)c21 ZINC000185175386 859635060 /nfs/dbraw/zinc/63/50/60/859635060.db2.gz IZESKOLQAYXPBL-UHFFFAOYSA-N -1 3 393.428 3.682 20 5 GHBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000157313613 861116106 /nfs/dbraw/zinc/11/61/06/861116106.db2.gz GAAOXLLPTGQEIU-UHFFFAOYSA-N -1 3 385.689 3.562 20 5 GHBDHM COc1c(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cccc1[N+](=O)[O-] ZINC000475326301 864785667 /nfs/dbraw/zinc/78/56/67/864785667.db2.gz UIKJXRFSZGGBIU-UHFFFAOYSA-N -1 3 395.419 3.938 20 5 GHBDHM COc1cc(CNCc2ncccc2[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475356898 864848224 /nfs/dbraw/zinc/84/82/24/864848224.db2.gz OCSMYQQTZZEHLA-UHFFFAOYSA-N -1 3 395.415 3.573 20 5 GHBDHM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c(c3[O-])CCCC4)n2)c1 ZINC000445570292 868647990 /nfs/dbraw/zinc/64/79/90/868647990.db2.gz FHTWXFYCFIYMSB-UHFFFAOYSA-N -1 3 381.388 3.829 20 5 GHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)s1 ZINC000771502092 875295291 /nfs/dbraw/zinc/29/52/91/875295291.db2.gz CFQIMQBOOONKGS-UHFFFAOYSA-N -1 3 378.439 3.607 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000531394595 879733687 /nfs/dbraw/zinc/73/36/87/879733687.db2.gz DAMWWXIMDLPYEL-UHFFFAOYSA-N -1 3 392.209 3.890 20 5 GHBDHM O=C([N-]Oc1ccc(F)cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001183850009 912853592 /nfs/dbraw/zinc/85/35/92/912853592.db2.gz PMSZGZWNFWNFJW-UHFFFAOYSA-N -1 3 389.564 3.874 20 5 GHBDHM Cc1ccc(CSCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000499030836 886382777 /nfs/dbraw/zinc/38/27/77/886382777.db2.gz OLLHZWYQXKUVSM-UHFFFAOYSA-N -1 3 382.445 3.587 20 5 GHBDHM O=C([O-])/C=C\c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062729 890898678 /nfs/dbraw/zinc/89/86/78/890898678.db2.gz WHSMNWRMVORNSG-FYGXRCCRSA-N -1 3 381.432 3.769 20 5 GHBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001185251459 913761342 /nfs/dbraw/zinc/76/13/42/913761342.db2.gz IIPDUQZEPJYBIV-HNNXBMFYSA-N -1 3 382.869 3.966 20 5 GHBDHM Cc1nc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000826327634 897643347 /nfs/dbraw/zinc/64/33/47/897643347.db2.gz ONPUGUXFVPZURW-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1nc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000826327634 897643351 /nfs/dbraw/zinc/64/33/51/897643351.db2.gz ONPUGUXFVPZURW-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM COC(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[n-]1 ZINC000568304208 897727187 /nfs/dbraw/zinc/72/71/87/897727187.db2.gz DSPMAPIRTULFCZ-UHFFFAOYSA-N -1 3 381.344 3.754 20 5 GHBDHM Cc1cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc(C)c1F ZINC001212837603 903513904 /nfs/dbraw/zinc/51/39/04/903513904.db2.gz UIXVTHCWSCMWQD-UHFFFAOYSA-N -1 3 382.149 3.553 20 5 GHBDHM Cc1cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc(C)c1F ZINC001212837603 903513911 /nfs/dbraw/zinc/51/39/11/903513911.db2.gz UIXVTHCWSCMWQD-UHFFFAOYSA-N -1 3 382.149 3.553 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)cc1[N+](=O)[O-] ZINC001212843784 903679402 /nfs/dbraw/zinc/67/94/02/903679402.db2.gz BVFCVOYWMVYVLI-UHFFFAOYSA-N -1 3 377.316 3.600 20 5 GHBDHM COc1cccc(Nc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)c1 ZINC001149013226 904277947 /nfs/dbraw/zinc/27/79/47/904277947.db2.gz UEXPTAZDPKIYHB-UHFFFAOYSA-N -1 3 380.360 3.700 20 5 GHBDHM Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC000266846796 909318424 /nfs/dbraw/zinc/31/84/24/909318424.db2.gz PJKHSSCPZDULBX-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000270609967 910624909 /nfs/dbraw/zinc/62/49/09/910624909.db2.gz CPAZUTXQVIIFDS-UHFFFAOYSA-N -1 3 382.467 3.561 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000270656269 910645742 /nfs/dbraw/zinc/64/57/42/910645742.db2.gz NEMSLQIFVKNNRN-UHFFFAOYSA-N -1 3 396.494 3.636 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(N4CCCC4)cc3)no2)[n-]nc1C(F)(F)F ZINC001212972588 916160778 /nfs/dbraw/zinc/16/07/78/916160778.db2.gz FRALZCYGKVUMQH-UHFFFAOYSA-N -1 3 394.313 3.654 20 5 GHBDHM COc1cc(CNc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000293403709 916180964 /nfs/dbraw/zinc/18/09/64/916180964.db2.gz LTUCOVUIWSLKQD-SJCJKPOMSA-N -1 3 385.420 3.682 20 5 GHBDHM C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589129837 956190856 /nfs/dbraw/zinc/19/08/56/956190856.db2.gz ZSBBVZPKKPOBIX-ZMLRMANQSA-N -1 3 385.258 3.582 20 5 GHBDHM O=C(Nc1cc(F)c(Br)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557724356 1017036089 /nfs/dbraw/zinc/03/60/89/1017036089.db2.gz RYIBLXFJTDYYSM-UHFFFAOYSA-N -1 3 390.552 3.503 20 5 GHBDHM COc1cc2oc3c([O-])ccc(O)c3c(=O)c2c(OC2COC2)c1CC=C(C)C ZINC001227346804 1032383890 /nfs/dbraw/zinc/38/38/90/1032383890.db2.gz XIFNHEOVLDCALX-UHFFFAOYSA-N -1 3 398.411 3.652 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747254 1032541120 /nfs/dbraw/zinc/54/11/20/1032541120.db2.gz ZEDYYTPVZWOZDH-KXBFYZLASA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747254 1032541126 /nfs/dbraw/zinc/54/11/26/1032541126.db2.gz ZEDYYTPVZWOZDH-KXBFYZLASA-N -1 3 388.424 3.640 20 5 GHBDHM O=[N+]([O-])C[C@@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)c1ccc2c(c1)OCO2 ZINC001228347983 1032901253 /nfs/dbraw/zinc/90/12/53/1032901253.db2.gz XYOLRWMCIJCZND-QGZVFWFLSA-N -1 3 397.412 3.558 20 5 GHBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001209682516 1035354374 /nfs/dbraw/zinc/35/43/74/1035354374.db2.gz JGXOYTDZCGLTCG-QWRGUYRKSA-N -1 3 398.428 3.566 20 5 GHBDHM CCN(CC)c1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001247999804 1038531684 /nfs/dbraw/zinc/53/16/84/1038531684.db2.gz NYXNTKIFTPRDMB-UHFFFAOYSA-N -1 3 381.392 3.743 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500373 1039393581 /nfs/dbraw/zinc/39/35/81/1039393581.db2.gz RGXWBRZZWFIDMO-YMTOWFKASA-N -1 3 396.831 3.759 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(-c3ccc4ccccc4c3)o2)c1Br ZINC001256036725 1041488515 /nfs/dbraw/zinc/48/85/15/1041488515.db2.gz AOXLRYZCJTWOFC-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(-c3ccc4ccccc4c3)o2)c1Br ZINC001256036725 1041488530 /nfs/dbraw/zinc/48/85/30/1041488530.db2.gz AOXLRYZCJTWOFC-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001292563182 1043788590 /nfs/dbraw/zinc/78/85/90/1043788590.db2.gz PXFHPEMINKZVBZ-LJQANCHMSA-N -1 3 397.475 3.817 20 5 GHBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ccc(F)c(Br)c2F)c1[N+](=O)[O-] ZINC001301347130 1046504488 /nfs/dbraw/zinc/50/44/88/1046504488.db2.gz KRHNXWTUCSHPSK-UHFFFAOYSA-N -1 3 389.156 3.734 20 5 GHBDHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001306834141 1048920158 /nfs/dbraw/zinc/92/01/58/1048920158.db2.gz YEEUWSIABYULQD-UHFFFAOYSA-N -1 3 399.334 3.803 20 5 GHBDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309171482 1050427146 /nfs/dbraw/zinc/42/71/46/1050427146.db2.gz QXLXIFWKNJXUCI-UHFFFAOYSA-N -1 3 393.303 3.852 20 5 GHBDHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001309243108 1050511728 /nfs/dbraw/zinc/51/17/28/1050511728.db2.gz QBSGVOLUJQEOMC-ZDUSSCGKSA-N -1 3 382.869 3.775 20 5 GHBDHM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001309278600 1050549301 /nfs/dbraw/zinc/54/93/01/1050549301.db2.gz PGHBBRDYOLVCNL-INIZCTEOSA-N -1 3 392.477 3.978 20 5 GHBDHM CC(C)[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309383584 1050662440 /nfs/dbraw/zinc/66/24/40/1050662440.db2.gz AOYJVWBCTHYGCL-KXBFYZLASA-N -1 3 392.452 3.972 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001318112367 1054420650 /nfs/dbraw/zinc/42/06/50/1054420650.db2.gz CTFBPMFHVHXEIS-UHFFFAOYSA-N -1 3 375.381 3.634 20 5 GHBDHM CC(C)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464509207 1065053793 /nfs/dbraw/zinc/05/37/93/1065053793.db2.gz RUPZVMJWFODTCH-OAHLLOKOSA-N -1 3 382.869 3.794 20 5 GHBDHM O=C([N-]c1nc2cc3c(cc2s1)OC(F)(F)O3)c1c(F)cccc1[N+](=O)[O-] ZINC001358468861 1067535911 /nfs/dbraw/zinc/53/59/11/1067535911.db2.gz UMHIVOZRGIRJKX-UHFFFAOYSA-N -1 3 397.290 3.917 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2cccs2)cc([N+](=O)[O-])c1 ZINC001360572822 1068565610 /nfs/dbraw/zinc/56/56/10/1068565610.db2.gz YRJHUTWYRFFEMR-UHFFFAOYSA-N -1 3 387.373 3.659 20 5 GHBDHM Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1C ZINC001472476856 1073503198 /nfs/dbraw/zinc/50/31/98/1073503198.db2.gz CQKVIBUGDLGCAP-UHFFFAOYSA-N -1 3 384.417 3.996 20 5 GHBDHM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1F ZINC001474804846 1074571402 /nfs/dbraw/zinc/57/14/02/1074571402.db2.gz BEJHPIVYUFOCTO-UHFFFAOYSA-N -1 3 393.223 3.828 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CCCCC3)CCCCC2)nc1 ZINC001475157491 1074761925 /nfs/dbraw/zinc/76/19/25/1074761925.db2.gz YQPZUPOMHQSMTE-UHFFFAOYSA-N -1 3 381.498 3.799 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001475185838 1074775161 /nfs/dbraw/zinc/77/51/61/1074775161.db2.gz RBFMWGWCSJQPIP-AWEZNQCLSA-N -1 3 380.388 3.693 20 5 GHBDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC001475261541 1074810262 /nfs/dbraw/zinc/81/02/62/1074810262.db2.gz DAYUEBJNHFDAMT-UHFFFAOYSA-N -1 3 398.868 3.612 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccc(Cl)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367211 599254589 /nfs/dbraw/zinc/25/45/89/599254589.db2.gz NTONLPBDBXXFCR-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccc(Cl)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367211 599254591 /nfs/dbraw/zinc/25/45/91/599254591.db2.gz NTONLPBDBXXFCR-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(NCC3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374720 598501140 /nfs/dbraw/zinc/50/11/40/598501140.db2.gz SONTWKRGHTYDDK-UHFFFAOYSA-N -1 3 380.412 3.516 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(NCC3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374720 598501142 /nfs/dbraw/zinc/50/11/42/598501142.db2.gz SONTWKRGHTYDDK-UHFFFAOYSA-N -1 3 380.412 3.516 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2cccc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000738366884 598551921 /nfs/dbraw/zinc/55/19/21/598551921.db2.gz JOPWHMRFOAUGFC-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2cccc(Br)c2)c(-c2nn[n-]n2)c1 ZINC000738366884 598551923 /nfs/dbraw/zinc/55/19/23/598551923.db2.gz JOPWHMRFOAUGFC-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1cccnc1Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738370121 598796984 /nfs/dbraw/zinc/79/69/84/598796984.db2.gz QDJTUQFZOJRNSJ-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191720 599330927 /nfs/dbraw/zinc/33/09/27/599330927.db2.gz WDPZEKSVPIVJDL-LLVKDONJSA-N -1 3 399.432 3.636 20 5 GHBDHM C[C@@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191720 599330930 /nfs/dbraw/zinc/33/09/30/599330930.db2.gz WDPZEKSVPIVJDL-LLVKDONJSA-N -1 3 399.432 3.636 20 5 GHBDHM CSc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821984376 599493756 /nfs/dbraw/zinc/49/37/56/599493756.db2.gz PFRXVHBLMFEZPE-UHFFFAOYSA-N -1 3 393.432 3.657 20 5 GHBDHM CSc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821984376 599493759 /nfs/dbraw/zinc/49/37/59/599493759.db2.gz PFRXVHBLMFEZPE-UHFFFAOYSA-N -1 3 393.432 3.657 20 5 GHBDHM Cc1c(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000738288159 600080906 /nfs/dbraw/zinc/08/09/06/600080906.db2.gz BRVQVRYFMNTCFG-KRWDZBQOSA-N -1 3 393.237 3.755 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826497581 608091441 /nfs/dbraw/zinc/09/14/41/608091441.db2.gz MIXGVMVJYDHFLE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826497581 608091442 /nfs/dbraw/zinc/09/14/42/608091442.db2.gz MIXGVMVJYDHFLE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1c2cccnc2ccc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826497533 608442403 /nfs/dbraw/zinc/44/24/03/608442403.db2.gz KKQWEJIOWZTKHH-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM O=[N+]([O-])c1c2cccnc2ccc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826497533 608442404 /nfs/dbraw/zinc/44/24/04/608442404.db2.gz KKQWEJIOWZTKHH-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOc3c(Cl)cccc32)c(-c2nnn[n-]2)c1 ZINC000826499010 608589873 /nfs/dbraw/zinc/58/98/73/608589873.db2.gz RNOVNPBNCFXHDD-CQSZACIVSA-N -1 3 386.799 3.754 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOc3c(Cl)cccc32)c(-c2nn[n-]n2)c1 ZINC000826499010 608589875 /nfs/dbraw/zinc/58/98/75/608589875.db2.gz RNOVNPBNCFXHDD-CQSZACIVSA-N -1 3 386.799 3.754 20 5 GHBDHM Cc1oc2ncnc([N-]C(=O)c3ccc(Br)cc3[N+](=O)[O-])c2c1C ZINC000175555425 836678911 /nfs/dbraw/zinc/67/89/11/836678911.db2.gz KRAQFWNNJWJDHP-UHFFFAOYSA-N -1 3 391.181 3.763 20 5 GHBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122897042 838692118 /nfs/dbraw/zinc/69/21/18/838692118.db2.gz RCGIJLYTGBEVIG-INIZCTEOSA-N -1 3 378.431 3.626 20 5 GHBDHM CCOc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000125976745 842463046 /nfs/dbraw/zinc/46/30/46/842463046.db2.gz JOUAXGFFKNZXLL-UHFFFAOYSA-N -1 3 381.182 3.714 20 5 GHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1SC ZINC000728469405 846290219 /nfs/dbraw/zinc/29/02/19/846290219.db2.gz NQWVREWHYWTFKH-UHFFFAOYSA-N -1 3 381.341 3.625 20 5 GHBDHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518788193 850128371 /nfs/dbraw/zinc/12/83/71/850128371.db2.gz SBMPQNFNYXCCHV-UHFFFAOYSA-N -1 3 376.344 3.568 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000518967100 850418336 /nfs/dbraw/zinc/41/83/36/850418336.db2.gz ALQZZOBZSUYNDA-GJZGRUSLSA-N -1 3 380.853 3.863 20 5 GHBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c([N+](=O)[O-])cc1[O-] ZINC000028660033 851873965 /nfs/dbraw/zinc/87/39/65/851873965.db2.gz XCUJSICLYZQARN-LJQANCHMSA-N -1 3 395.371 3.669 20 5 GHBDHM Cc1ccc(-c2nc(CN[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])cs2)cc1 ZINC000426784516 852390352 /nfs/dbraw/zinc/39/03/52/852390352.db2.gz ROGBZYQCAXSLMR-SFHVURJKSA-N -1 3 397.456 3.812 20 5 GHBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436965565 852537374 /nfs/dbraw/zinc/53/73/74/852537374.db2.gz KTXOAOGMFWHLST-YJBOKZPZSA-N -1 3 383.448 3.598 20 5 GHBDHM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507302449 852779454 /nfs/dbraw/zinc/77/94/54/852779454.db2.gz MGBUSGDOIZOUPR-MAUKXSAKSA-N -1 3 383.448 3.598 20 5 GHBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000913299709 853210777 /nfs/dbraw/zinc/21/07/77/853210777.db2.gz QGPUKNRCFPPTQP-SNVBAGLBSA-N -1 3 395.331 3.546 20 5 GHBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000913299709 853210783 /nfs/dbraw/zinc/21/07/83/853210783.db2.gz QGPUKNRCFPPTQP-SNVBAGLBSA-N -1 3 395.331 3.546 20 5 GHBDHM O=C(Nc1ccc(Cl)cc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153692237 855806714 /nfs/dbraw/zinc/80/67/14/855806714.db2.gz LAYBPGCBHJIMKB-UHFFFAOYSA-N -1 3 375.812 3.809 20 5 GHBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(-c2ccccc2F)c1 ZINC000301649066 856693492 /nfs/dbraw/zinc/69/34/92/856693492.db2.gz FPBKNHZOLNXNKS-UHFFFAOYSA-N -1 3 378.161 3.821 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000485955617 857250110 /nfs/dbraw/zinc/25/01/10/857250110.db2.gz KOKIAFBMCVJSHA-CYBMUJFWSA-N -1 3 388.367 3.528 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(Cl)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000485978110 857289494 /nfs/dbraw/zinc/28/94/94/857289494.db2.gz VKEXRHVKRLCTDZ-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000486301894 857638822 /nfs/dbraw/zinc/63/88/22/857638822.db2.gz VQTWWNHMUJZRSE-UHFFFAOYSA-N -1 3 383.227 3.647 20 5 GHBDHM CC(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000592647953 857906151 /nfs/dbraw/zinc/90/61/51/857906151.db2.gz WLRKEXGZVWAQQS-UHFFFAOYSA-N -1 3 390.749 3.805 20 5 GHBDHM O=c1[n-]ccc(NCC2(c3ccccc3Br)CCC2)c1[N+](=O)[O-] ZINC000596240978 858825981 /nfs/dbraw/zinc/82/59/81/858825981.db2.gz JWLUVDXSYMJGKQ-UHFFFAOYSA-N -1 3 378.226 3.992 20 5 GHBDHM O=c1[n-]ccc(N2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596239669 858826217 /nfs/dbraw/zinc/82/62/17/858826217.db2.gz JIEWOOSXELZXIX-GFCCVEGCSA-N -1 3 378.226 3.527 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509391152 859286168 /nfs/dbraw/zinc/28/61/68/859286168.db2.gz KDZZRPCMFMKNRJ-UHFFFAOYSA-N -1 3 390.339 3.753 20 5 GHBDHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484274287 859918796 /nfs/dbraw/zinc/91/87/96/859918796.db2.gz HJXCZRCDZDNSAM-UHFFFAOYSA-N -1 3 386.751 3.788 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2cccc(F)c2o1 ZINC000474396366 859993712 /nfs/dbraw/zinc/99/37/12/859993712.db2.gz YPTHGLBNFKZCET-VIFPVBQESA-N -1 3 382.344 3.659 20 5 GHBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593580850 860449541 /nfs/dbraw/zinc/44/95/41/860449541.db2.gz MTLMBIJPKFMACJ-DTWKUNHWSA-N -1 3 382.722 3.640 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cnc3C)nc(=O)c2c1C ZINC000730015552 860486098 /nfs/dbraw/zinc/48/60/98/860486098.db2.gz XEOALFSEGZAVME-SECBINFHSA-N -1 3 388.405 3.543 20 5 GHBDHM O=c1[n-]ccc(N2CC[C@@H](Sc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000599126132 860807187 /nfs/dbraw/zinc/80/71/87/860807187.db2.gz NGKSZBQMURZSSJ-GFCCVEGCSA-N -1 3 396.266 3.829 20 5 GHBDHM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1F ZINC000126527236 861066062 /nfs/dbraw/zinc/06/60/62/861066062.db2.gz LOUUYFRZMFJSHX-UHFFFAOYSA-N -1 3 392.767 3.644 20 5 GHBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742302237 867184985 /nfs/dbraw/zinc/18/49/85/867184985.db2.gz VQHWUPHMJZSOOC-GHMZBOCLSA-N -1 3 391.287 3.604 20 5 GHBDHM CCc1cccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)c1 ZINC000445176655 867928671 /nfs/dbraw/zinc/92/86/71/867928671.db2.gz FQOANVIPXMVTEU-UHFFFAOYSA-N -1 3 380.360 3.697 20 5 GHBDHM CCn1cc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c2ccccc21 ZINC000523833711 868031434 /nfs/dbraw/zinc/03/14/34/868031434.db2.gz GOJNAZHEHLWRKY-UHFFFAOYSA-N -1 3 389.415 3.563 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Br)c1 ZINC000447001760 870851321 /nfs/dbraw/zinc/85/13/21/870851321.db2.gz VVYJYIIZXCEYDA-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000448493675 873480473 /nfs/dbraw/zinc/48/04/73/873480473.db2.gz YOBWHATWENMACM-UHFFFAOYSA-N -1 3 393.277 3.665 20 5 GHBDHM CC(C)(C)OC(=O)N1CCc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2C1 ZINC001199801829 875194637 /nfs/dbraw/zinc/19/46/37/875194637.db2.gz KCELCFMPIHRNTC-UHFFFAOYSA-N -1 3 386.408 3.732 20 5 GHBDHM Cc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746668641 877315129 /nfs/dbraw/zinc/31/51/29/877315129.db2.gz DWQDOVMNGGGERD-UHFFFAOYSA-N -1 3 392.330 3.540 20 5 GHBDHM O=C([O-])/C=C\c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787233 884791126 /nfs/dbraw/zinc/79/11/26/884791126.db2.gz GIDCOTFQSJLOBC-CLFYSBASSA-N -1 3 381.432 3.553 20 5 GHBDHM O=c1[n-]c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)nc2c3ccccc3oc21 ZINC000537554888 885311114 /nfs/dbraw/zinc/31/11/14/885311114.db2.gz RXRDBUKEDFOWGA-UHFFFAOYSA-N -1 3 387.355 3.902 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(F)c(Cl)c3)cs2)n1 ZINC000191571324 885397762 /nfs/dbraw/zinc/39/77/62/885397762.db2.gz HWGKNIBNMAOBAU-UHFFFAOYSA-N -1 3 395.803 3.980 20 5 GHBDHM Cc1c(COc2ccccc2)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193663740 887168355 /nfs/dbraw/zinc/16/83/55/887168355.db2.gz CWMJPXZGVNMJDN-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062731 890898089 /nfs/dbraw/zinc/89/80/89/890898089.db2.gz WHSMNWRMVORNSG-SXAWMYDMSA-N -1 3 381.432 3.769 20 5 GHBDHM Cc1c([N-]C(=O)c2ncoc2-c2ccon2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001134649909 893153444 /nfs/dbraw/zinc/15/34/44/893153444.db2.gz QZWZVQIDOGIYDM-UHFFFAOYSA-N -1 3 382.254 3.817 20 5 GHBDHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1OCC ZINC000800052068 898539374 /nfs/dbraw/zinc/53/93/74/898539374.db2.gz FJPIUOMTVOHJSF-UHFFFAOYSA-N -1 3 398.412 3.641 20 5 GHBDHM CCc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nn1-c1ccccc1F ZINC000800150728 898669549 /nfs/dbraw/zinc/66/95/49/898669549.db2.gz BJCWSERBTJLRFB-UHFFFAOYSA-N -1 3 387.346 3.577 20 5 GHBDHM C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001186151675 914333214 /nfs/dbraw/zinc/33/32/14/914333214.db2.gz ZANBKKHSQQJKQF-ZDUSSCGKSA-N -1 3 380.441 3.769 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)c2ccccc2)nc1 ZINC001186357627 914473616 /nfs/dbraw/zinc/47/36/16/914473616.db2.gz JDWVSZZPAPCPJH-SFHVURJKSA-N -1 3 389.477 3.980 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])s1 ZINC001186496367 914581147 /nfs/dbraw/zinc/58/11/47/914581147.db2.gz QYWCVLVNZVZJMP-UHFFFAOYSA-N -1 3 386.882 3.628 20 5 GHBDHM O=C([O-])/C=C\c1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000846236536 902810495 /nfs/dbraw/zinc/81/04/95/902810495.db2.gz MFGOHQBPDRYDAO-XGICHPGQSA-N -1 3 382.416 3.736 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccccc3OCc3ccccc3)no2)cc1[N+](=O)[O-] ZINC001212844380 903718270 /nfs/dbraw/zinc/71/82/70/903718270.db2.gz QNXMSPIMOLPZRG-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM CC(C)c1ccc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([O-])c1 ZINC001177681039 908693567 /nfs/dbraw/zinc/69/35/67/908693567.db2.gz GMKKEEHRCBIGNI-UHFFFAOYSA-N -1 3 382.420 3.663 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-c3ccc(F)cc3)cn2)no1 ZINC001212936995 911784331 /nfs/dbraw/zinc/78/43/31/911784331.db2.gz IKZMMMRZIYURAW-UHFFFAOYSA-N -1 3 379.307 3.614 20 5 GHBDHM COc1cc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)ccc1Cl ZINC001212972903 916164204 /nfs/dbraw/zinc/16/42/04/916164204.db2.gz LIGPVQUCHKCENO-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM O=C([N-][C@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777981226 934458409 /nfs/dbraw/zinc/45/84/09/934458409.db2.gz LAPAMXZQIDTPIJ-GOSISDBHSA-N -1 3 383.354 3.987 20 5 GHBDHM O=C([N-][C@@H]1CCCOc2cc(F)ccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778073289 934845459 /nfs/dbraw/zinc/84/54/59/934845459.db2.gz GAVRPMHOONQBKE-OAHLLOKOSA-N -1 3 380.322 3.856 20 5 GHBDHM CC[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001137588431 935604729 /nfs/dbraw/zinc/60/47/29/935604729.db2.gz ZVNCYSWDRQGKRX-MRXNPFEDSA-N -1 3 378.331 3.646 20 5 GHBDHM Cc1c([N-]S(=O)(=O)C2=CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000829957486 935885731 /nfs/dbraw/zinc/88/57/31/935885731.db2.gz NNYYIGQQCBBVPC-UHFFFAOYSA-N -1 3 375.244 3.865 20 5 GHBDHM CC1(C)CC(C)(C)c2cc(Nc3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc21 ZINC001575631198 950771066 /nfs/dbraw/zinc/77/10/66/950771066.db2.gz LFVGJBSLHIYQQQ-UHFFFAOYSA-N -1 3 379.424 3.872 20 5 GHBDHM CC1(C)CC(C)(C)c2cc(Nc3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc21 ZINC001575631198 950771080 /nfs/dbraw/zinc/77/10/80/950771080.db2.gz LFVGJBSLHIYQQQ-UHFFFAOYSA-N -1 3 379.424 3.872 20 5 GHBDHM CC[C@@](NCc1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300802 980435579 /nfs/dbraw/zinc/43/55/79/980435579.db2.gz UIECXLIIYLFVDM-SFHVURJKSA-N -1 3 378.812 3.737 20 5 GHBDHM CCN1CCN(c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC001596442510 984137272 /nfs/dbraw/zinc/13/72/72/984137272.db2.gz WLCCEGPRVURFBL-ONNFQVAWSA-N -1 3 396.447 3.578 20 5 GHBDHM COc1cc(O[C@@H](C)Cc2ccco2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645226 1032499806 /nfs/dbraw/zinc/49/98/06/1032499806.db2.gz FVQOECFFULEYSR-NSHDSACASA-N -1 3 382.368 3.969 20 5 GHBDHM COc1cc(O[C@H]2CCOC(C)(C)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646109 1032500800 /nfs/dbraw/zinc/50/08/00/1032500800.db2.gz NLFIEMZKRZASMA-NSHDSACASA-N -1 3 386.400 3.702 20 5 GHBDHM CC(C)CCOC(=O)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227690072 1032517906 /nfs/dbraw/zinc/51/79/06/1032517906.db2.gz FIVHFPFCYHQDPX-QGZVFWFLSA-N -1 3 384.392 3.576 20 5 GHBDHM Cc1ccc(C(=O)c2cc([O-])c(OC3CCN(C4CC4)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227701779 1032523052 /nfs/dbraw/zinc/52/30/52/1032523052.db2.gz IUGJNSAUBGPYME-UHFFFAOYSA-N -1 3 396.443 3.845 20 5 GHBDHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001228630856 1033021461 /nfs/dbraw/zinc/02/14/61/1033021461.db2.gz VQSNBZJNSSVXMY-UHFFFAOYSA-N -1 3 396.399 3.763 20 5 GHBDHM CCOC(=O)[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)c2ccccc2O1 ZINC001228676384 1033038876 /nfs/dbraw/zinc/03/88/76/1033038876.db2.gz DQXSIHQFEATKQY-ROUUACIJSA-N -1 3 397.387 3.614 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001228687047 1033044868 /nfs/dbraw/zinc/04/48/68/1033044868.db2.gz TZPXBAGNJCUSMJ-JOCQHMNTSA-N -1 3 381.429 3.561 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001228687705 1033046431 /nfs/dbraw/zinc/04/64/31/1033046431.db2.gz ZSZOKZRIDFFQAE-ZDUSSCGKSA-N -1 3 393.440 3.705 20 5 GHBDHM O=C([O-])C[C@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000756379230 1023620828 /nfs/dbraw/zinc/62/08/28/1023620828.db2.gz LIVWLDUDDAITMQ-INIZCTEOSA-N -1 3 397.456 3.894 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(SC(F)F)cc3s2)n1 ZINC000756600371 1023729960 /nfs/dbraw/zinc/72/99/60/1023729960.db2.gz YUABLPNDMLRLMY-UHFFFAOYSA-N -1 3 399.404 3.988 20 5 GHBDHM COC(=O)c1ccnc([N-][C@@H](c2ccccc2OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001162903233 1025960691 /nfs/dbraw/zinc/96/06/91/1025960691.db2.gz MMXTXCXMMQNKOQ-ZDUSSCGKSA-N -1 3 385.298 3.501 20 5 GHBDHM C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164226565 1026457916 /nfs/dbraw/zinc/45/79/16/1026457916.db2.gz VFBUFRZBNSBDGT-ZCFIWIBFSA-N -1 3 386.721 3.528 20 5 GHBDHM O=c1cc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)nc(-c2ccccc2)[n-]1 ZINC001165918312 1026867498 /nfs/dbraw/zinc/86/74/98/1026867498.db2.gz XOXFMNZYQUXUFP-UHFFFAOYSA-N -1 3 381.779 3.809 20 5 GHBDHM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001210583452 1027564665 /nfs/dbraw/zinc/56/46/65/1027564665.db2.gz WVQXWIYOFVAGLK-LSDHHAIUSA-N -1 3 390.889 3.510 20 5 GHBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCc2ccccc21 ZINC001211404754 1027944083 /nfs/dbraw/zinc/94/40/83/1027944083.db2.gz USTXAJBHNSSZPA-GOSISDBHSA-N -1 3 394.880 3.821 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCCC2)c([N+](=O)[O-])s1 ZINC001211472432 1027976775 /nfs/dbraw/zinc/97/67/75/1027976775.db2.gz QMZQSQSILGIEKC-UHFFFAOYSA-N -1 3 380.491 3.799 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001213377943 1028149283 /nfs/dbraw/zinc/14/92/83/1028149283.db2.gz RAMCWSIJPRRMRL-GDBMZVCRSA-N -1 3 378.425 3.657 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H]2C[NH2+]C[C@H]2C)c2c(=O)c3cccc([O-])c3oc12 ZINC001217967622 1030693787 /nfs/dbraw/zinc/69/37/87/1030693787.db2.gz RYHCYPKTDHFZIC-YJYMSZOUSA-N -1 3 395.455 3.853 20 5 GHBDHM C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225852039 1031651721 /nfs/dbraw/zinc/65/17/21/1031651721.db2.gz AJTWBFKNRIVMEY-LURJTMIESA-N -1 3 389.311 3.561 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001247998484 1038531322 /nfs/dbraw/zinc/53/13/22/1038531322.db2.gz FARGYMAWPGXNPZ-UHFFFAOYSA-N -1 3 380.694 3.829 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001248000984 1038533182 /nfs/dbraw/zinc/53/31/82/1038533182.db2.gz WHWUGDJPHLOZTL-UHFFFAOYSA-N -1 3 380.694 3.829 20 5 GHBDHM C[C@H]1[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507668 1039398162 /nfs/dbraw/zinc/39/81/62/1039398162.db2.gz ZVPZSMAENTVWLA-SDBXPKJASA-N -1 3 382.804 3.511 20 5 GHBDHM O=c1[n-]cnc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1-c1ccccc1 ZINC001234690357 1040222308 /nfs/dbraw/zinc/22/23/08/1040222308.db2.gz BBVBMWBGKSZABG-UHFFFAOYSA-N -1 3 392.415 3.805 20 5 GHBDHM O=C([N-][C@H](Cc1ccccc1)c1ncco1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001299943093 1046102341 /nfs/dbraw/zinc/10/23/41/1046102341.db2.gz UCQIMJQMNVFQDW-MRXNPFEDSA-N -1 3 387.342 3.775 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])nc21 ZINC001289643255 1049573417 /nfs/dbraw/zinc/57/34/17/1049573417.db2.gz ARMIIXLMUOPFFY-UHFFFAOYSA-N -1 3 388.767 3.554 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCCC2)c(F)c1 ZINC001309064601 1050316425 /nfs/dbraw/zinc/31/64/25/1050316425.db2.gz WSWPNXCORPQAQX-UHFFFAOYSA-N -1 3 396.415 3.663 20 5 GHBDHM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001309496753 1050764576 /nfs/dbraw/zinc/76/45/76/1050764576.db2.gz IZOWYWQNLUIQIK-UHFFFAOYSA-N -1 3 378.425 3.523 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001343831158 1054054632 /nfs/dbraw/zinc/05/46/32/1054054632.db2.gz HRHRZAIOEPBPEF-UHFFFAOYSA-N -1 3 387.820 3.679 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001458457554 1063821247 /nfs/dbraw/zinc/82/12/47/1063821247.db2.gz PNQUVXBAMCIIER-NXEZZACHSA-N -1 3 398.341 3.789 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001349942965 1063948300 /nfs/dbraw/zinc/94/83/00/1063948300.db2.gz YRSWDLAWDNQVIR-UHFFFAOYSA-N -1 3 375.287 3.789 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC001463856809 1064673729 /nfs/dbraw/zinc/67/37/29/1064673729.db2.gz PXSUJHXIAXBCQF-ZDUSSCGKSA-N -1 3 391.287 3.604 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC001474896610 1074618259 /nfs/dbraw/zinc/61/82/59/1074618259.db2.gz FVYUDFWUNQAPDJ-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC001475251080 1074804816 /nfs/dbraw/zinc/80/48/16/1074804816.db2.gz HONYWMPPERLCLN-GRYCIOLGSA-N -1 3 394.415 3.964 20 5 GHBDHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001475465116 1074884744 /nfs/dbraw/zinc/88/47/44/1074884744.db2.gz LEQKAKWZTNOIGF-JOYOIKCWSA-N -1 3 380.388 3.717 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC001475614867 1074927978 /nfs/dbraw/zinc/92/79/78/1074927978.db2.gz KTSRDPVHQPXLIU-CVEARBPZSA-N -1 3 378.425 3.516 20 5 GHBDHM Cc1c2c(nc(S[C@@H](C)c3ccccc3[N+](=O)[O-])c1-c1nnn[n-]1)CCC2 ZINC000822129809 599124159 /nfs/dbraw/zinc/12/41/59/599124159.db2.gz OTRRQRIWAWSQHD-NSHDSACASA-N -1 3 382.449 3.820 20 5 GHBDHM Cc1c2c(nc(S[C@@H](C)c3ccccc3[N+](=O)[O-])c1-c1nn[n-]n1)CCC2 ZINC000822129809 599124161 /nfs/dbraw/zinc/12/41/61/599124161.db2.gz OTRRQRIWAWSQHD-NSHDSACASA-N -1 3 382.449 3.820 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000738371596 599267809 /nfs/dbraw/zinc/26/78/09/599267809.db2.gz TWJITYVOIFPWAC-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000738371596 599267811 /nfs/dbraw/zinc/26/78/11/599267811.db2.gz TWJITYVOIFPWAC-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000736626749 598787277 /nfs/dbraw/zinc/78/72/77/598787277.db2.gz LEOWTXXJCASVTI-UHFFFAOYSA-N -1 3 399.407 3.540 20 5 GHBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000736626749 598787279 /nfs/dbraw/zinc/78/72/79/598787279.db2.gz LEOWTXXJCASVTI-UHFFFAOYSA-N -1 3 399.407 3.540 20 5 GHBDHM CCS[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456297 606401084 /nfs/dbraw/zinc/40/10/84/606401084.db2.gz OWIQNWVMZLAUGY-YPMHNXCESA-N -1 3 399.480 3.799 20 5 GHBDHM CCS[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456297 606401085 /nfs/dbraw/zinc/40/10/85/606401085.db2.gz OWIQNWVMZLAUGY-YPMHNXCESA-N -1 3 399.480 3.799 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](c3ccccc3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643748 606446089 /nfs/dbraw/zinc/44/60/89/606446089.db2.gz AIPADCFTWMOLEF-IBGZPJMESA-N -1 3 387.403 3.886 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](c3ccccc3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643748 606446091 /nfs/dbraw/zinc/44/60/91/606446091.db2.gz AIPADCFTWMOLEF-IBGZPJMESA-N -1 3 387.403 3.886 20 5 GHBDHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926977 606479569 /nfs/dbraw/zinc/47/95/69/606479569.db2.gz YJFPJXYVVSXLKS-GFCCVEGCSA-N -1 3 393.329 3.752 20 5 GHBDHM CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820926977 606479571 /nfs/dbraw/zinc/47/95/71/606479571.db2.gz YJFPJXYVVSXLKS-GFCCVEGCSA-N -1 3 393.329 3.752 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823629562 606879958 /nfs/dbraw/zinc/87/99/58/606879958.db2.gz AADSZYJPHSIFHO-HNNXBMFYSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000823629562 606879959 /nfs/dbraw/zinc/87/99/59/606879959.db2.gz AADSZYJPHSIFHO-HNNXBMFYSA-N -1 3 378.392 3.633 20 5 GHBDHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930023 608158993 /nfs/dbraw/zinc/15/89/93/608158993.db2.gz ZISDFZCGDXBUOI-VHSXEESVSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930023 608158995 /nfs/dbraw/zinc/15/89/95/608158995.db2.gz ZISDFZCGDXBUOI-VHSXEESVSA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc2ccccc21 ZINC000826451053 608164338 /nfs/dbraw/zinc/16/43/38/608164338.db2.gz NTNZHJNCCSJDLK-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2ccccc21 ZINC000826451053 608164339 /nfs/dbraw/zinc/16/43/39/608164339.db2.gz NTNZHJNCCSJDLK-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)c(-c2nnn[n-]2)c1 ZINC000826498910 608588586 /nfs/dbraw/zinc/58/85/86/608588586.db2.gz OCVBGXZDAHXXBB-CQSZACIVSA-N -1 3 386.799 3.754 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOc3cc(Cl)ccc32)c(-c2nn[n-]n2)c1 ZINC000826498910 608588587 /nfs/dbraw/zinc/58/85/87/608588587.db2.gz OCVBGXZDAHXXBB-CQSZACIVSA-N -1 3 386.799 3.754 20 5 GHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023345749 834347343 /nfs/dbraw/zinc/34/73/43/834347343.db2.gz QUNDQGZPGLTPPS-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023346133 834347839 /nfs/dbraw/zinc/34/78/39/834347839.db2.gz CZQOZNHNFOEUCJ-MRVPVSSYSA-N -1 3 393.808 3.975 20 5 GHBDHM O=C(Nc1nc2ccccc2n1C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186965849 834870346 /nfs/dbraw/zinc/87/03/46/834870346.db2.gz KXOZFLDLEFLQNK-UHFFFAOYSA-N -1 3 381.392 3.803 20 5 GHBDHM Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583695988 834881324 /nfs/dbraw/zinc/88/13/24/834881324.db2.gz AGJVWPZSIKGSGP-CQSZACIVSA-N -1 3 384.436 3.634 20 5 GHBDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1F ZINC000536104835 834888975 /nfs/dbraw/zinc/88/89/75/834888975.db2.gz YJPYTTCZHMQMBJ-UHFFFAOYSA-N -1 3 392.767 3.726 20 5 GHBDHM CCCCc1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)[n-]1 ZINC000573544945 844589932 /nfs/dbraw/zinc/58/99/32/844589932.db2.gz UNLFVTMWHZDJDN-GFCCVEGCSA-N -1 3 388.424 3.579 20 5 GHBDHM CN(c1ccccc1)c1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417580200 841025090 /nfs/dbraw/zinc/02/50/90/841025090.db2.gz CTVHBXBHOYJHAJ-CQSZACIVSA-N -1 3 397.353 3.858 20 5 GHBDHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303072047 861504466 /nfs/dbraw/zinc/50/44/66/861504466.db2.gz XTMDDYARKRMOIX-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000502090791 847461494 /nfs/dbraw/zinc/46/14/94/847461494.db2.gz RUFAHZRAGIMJTK-UHFFFAOYSA-N -1 3 399.353 3.519 20 5 GHBDHM Cc1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]c1-c1ccccc1 ZINC000506943884 852350529 /nfs/dbraw/zinc/35/05/29/852350529.db2.gz IZBWDJDRNRLTBS-UHFFFAOYSA-N -1 3 393.371 3.545 20 5 GHBDHM Cc1[n-]c(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000506943884 852350536 /nfs/dbraw/zinc/35/05/36/852350536.db2.gz IZBWDJDRNRLTBS-UHFFFAOYSA-N -1 3 393.371 3.545 20 5 GHBDHM COc1cc(Cl)c(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1Cl ZINC000426806335 852394943 /nfs/dbraw/zinc/39/49/43/852394943.db2.gz BMTGXIIGRCUDHB-AWEZNQCLSA-N -1 3 399.230 3.696 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000436935656 852518901 /nfs/dbraw/zinc/51/89/01/852518901.db2.gz LAOYPKVBXVPUGC-UHFFFAOYSA-N -1 3 375.812 3.671 20 5 GHBDHM CC(C)Cc1ccc([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000490492124 853050424 /nfs/dbraw/zinc/05/04/24/853050424.db2.gz LCSKKMUPLASBEE-SFHVURJKSA-N -1 3 385.464 3.532 20 5 GHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 ZINC000482068298 862670457 /nfs/dbraw/zinc/67/04/57/862670457.db2.gz OXPJWTUSGKRNEX-UHFFFAOYSA-N -1 3 394.380 3.503 20 5 GHBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(Cl)s1 ZINC000427983118 856937423 /nfs/dbraw/zinc/93/74/23/856937423.db2.gz KBGJHGJLYHHTGI-SECBINFHSA-N -1 3 376.825 3.864 20 5 GHBDHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c[nH]c21 ZINC000485883638 857169366 /nfs/dbraw/zinc/16/93/66/857169366.db2.gz RQRDHUXXBXYCIV-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM O=c1[n-]nc(SCc2nc3ccccc3c3ccccc23)n1C[C@H]1CCCO1 ZINC000020080593 858370513 /nfs/dbraw/zinc/37/05/13/858370513.db2.gz BXWKFRDQFUYUOA-CQSZACIVSA-N -1 3 392.484 3.744 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000067124033 858439734 /nfs/dbraw/zinc/43/97/34/858439734.db2.gz IIANVCLRMLCRJP-UHFFFAOYSA-N -1 3 397.840 3.570 20 5 GHBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000596241450 858826387 /nfs/dbraw/zinc/82/63/87/858826387.db2.gz TZCOLJAEQWTOSC-YGRLFVJLSA-N -1 3 383.326 3.681 20 5 GHBDHM CCc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cnn1C(CC)CC ZINC000484042961 859780142 /nfs/dbraw/zinc/78/01/42/859780142.db2.gz ONMCYOUHOBXYKQ-UHFFFAOYSA-N -1 3 396.451 3.779 20 5 GHBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000484797942 860356494 /nfs/dbraw/zinc/35/64/94/860356494.db2.gz UQIDXFLDAJPIBK-PWSUYJOCSA-N -1 3 378.903 3.591 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc([N+](=O)[O-])cnc3C)nc(=O)c2c1C ZINC000730015553 860486374 /nfs/dbraw/zinc/48/63/74/860486374.db2.gz XEOALFSEGZAVME-VIFPVBQESA-N -1 3 388.405 3.543 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000523164608 866816800 /nfs/dbraw/zinc/81/68/00/866816800.db2.gz XIRUYKSORLUIBK-HZPDHXFCSA-N -1 3 382.807 3.802 20 5 GHBDHM CC1(C)CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742305919 867188141 /nfs/dbraw/zinc/18/81/41/867188141.db2.gz SLTAUNXCVXKDGP-UHFFFAOYSA-N -1 3 391.287 3.604 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000479914649 868724807 /nfs/dbraw/zinc/72/48/07/868724807.db2.gz JFGJIYBEAIALBA-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(CN2CCCC2)c1 ZINC000539751685 869736543 /nfs/dbraw/zinc/73/65/43/869736543.db2.gz YCVQCXCHRQJIPR-UHFFFAOYSA-N -1 3 375.812 3.802 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2ccncc2)s1 ZINC000525533703 870877623 /nfs/dbraw/zinc/87/76/23/870877623.db2.gz RVXAIWXBDPVWBT-UHFFFAOYSA-N -1 3 398.400 3.527 20 5 GHBDHM O=C(Nc1ccc2cc(Br)ccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770623250 874803326 /nfs/dbraw/zinc/80/33/26/874803326.db2.gz YKJSMWKNZJLXFC-UHFFFAOYSA-N -1 3 388.177 3.863 20 5 GHBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ncccc2[O-])cc1 ZINC000542165845 875067038 /nfs/dbraw/zinc/06/70/38/875067038.db2.gz MNMJPCMJGWFBED-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1I ZINC001201230064 875566791 /nfs/dbraw/zinc/56/67/91/875566791.db2.gz WKAIXKLFZVMIAC-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000151598754 875645734 /nfs/dbraw/zinc/64/57/34/875645734.db2.gz KYOQEDSPAJEQEF-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786140011 876470545 /nfs/dbraw/zinc/47/05/45/876470545.db2.gz MNSMHPQBBIFTEH-UHFFFAOYSA-N -1 3 386.385 3.619 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H](F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000450600721 876646851 /nfs/dbraw/zinc/64/68/51/876646851.db2.gz OFNXUCWSWGRLKH-AWEZNQCLSA-N -1 3 393.440 3.561 20 5 GHBDHM Cc1ccc(-c2nnc([N-]C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)s2)c(C)c1 ZINC000068438256 878529759 /nfs/dbraw/zinc/52/97/59/878529759.db2.gz AZKIZICGIYMCMO-UHFFFAOYSA-N -1 3 394.416 3.859 20 5 GHBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000551115236 883308291 /nfs/dbraw/zinc/30/82/91/883308291.db2.gz JJDATDMTHFYQHG-UHFFFAOYSA-N -1 3 392.367 3.872 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1[O-] ZINC000808189183 886083801 /nfs/dbraw/zinc/08/38/01/886083801.db2.gz LWENRIJFPFSUBK-UHFFFAOYSA-N -1 3 397.431 3.992 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000811723623 889921197 /nfs/dbraw/zinc/92/11/97/889921197.db2.gz SXDSVQFBYUSGAT-UHFFFAOYSA-N -1 3 388.445 3.895 20 5 GHBDHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000811825960 890044108 /nfs/dbraw/zinc/04/41/08/890044108.db2.gz TYYBPMLUUYWMPL-UHFFFAOYSA-N -1 3 391.232 3.849 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000217210305 893182407 /nfs/dbraw/zinc/18/24/07/893182407.db2.gz PCBPYPAMANRVGH-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000194637329 893674390 /nfs/dbraw/zinc/67/43/90/893674390.db2.gz MAFCAIBCQRGYEJ-UHFFFAOYSA-N -1 3 385.239 3.608 20 5 GHBDHM C[C@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000820555267 897390708 /nfs/dbraw/zinc/39/07/08/897390708.db2.gz IDDLYDNNOCVLJQ-NSHDSACASA-N -1 3 382.449 3.902 20 5 GHBDHM C[C@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000820555267 897390725 /nfs/dbraw/zinc/39/07/25/897390725.db2.gz IDDLYDNNOCVLJQ-NSHDSACASA-N -1 3 382.449 3.902 20 5 GHBDHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000821665646 898014412 /nfs/dbraw/zinc/01/44/12/898014412.db2.gz TXKHSQKVXMXGPB-UHFFFAOYSA-N -1 3 388.685 3.704 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(OCC(C)C)cc2)c([N+](=O)[O-])s1 ZINC001186697918 914730994 /nfs/dbraw/zinc/73/09/94/914730994.db2.gz QXUNMDRWVGYFPA-UHFFFAOYSA-N -1 3 398.506 3.521 20 5 GHBDHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC000299352794 921300387 /nfs/dbraw/zinc/30/03/87/921300387.db2.gz NXEWPHTWYYCOSG-UHFFFAOYSA-N -1 3 392.799 3.575 20 5 GHBDHM CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1C(F)(F)F ZINC001177615557 908669478 /nfs/dbraw/zinc/66/94/78/908669478.db2.gz AHUKGLNHOGKMLV-UHFFFAOYSA-N -1 3 383.326 3.633 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])s1 ZINC001188328947 915890913 /nfs/dbraw/zinc/89/09/13/915890913.db2.gz RMPRROWAHFAKAM-MRVPVSSYSA-N -1 3 378.834 3.797 20 5 GHBDHM COc1cc(CNc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000293403717 916181027 /nfs/dbraw/zinc/18/10/27/916181027.db2.gz LTUCOVUIWSLKQD-YVEFUNNKSA-N -1 3 385.420 3.682 20 5 GHBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294026654 916537646 /nfs/dbraw/zinc/53/76/46/916537646.db2.gz FKKZBJNJERRHGI-UHFFFAOYSA-N -1 3 390.446 3.807 20 5 GHBDHM COc1cc(O[C@H](C)COC(C)(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646125 1032500895 /nfs/dbraw/zinc/50/08/95/1032500895.db2.gz NTZREEFOSHBRAJ-LLVKDONJSA-N -1 3 388.416 3.948 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCc3c2cccc3Br)c2[n-]cnc21 ZINC001227692329 1032518637 /nfs/dbraw/zinc/51/86/37/1032518637.db2.gz WUUJNAZWFHAUKD-GFCCVEGCSA-N -1 3 375.182 3.695 20 5 GHBDHM O=C([N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000840526650 1027598848 /nfs/dbraw/zinc/59/88/48/1027598848.db2.gz IORQZWAUVPFRIA-IMTBSYHQSA-N -1 3 375.105 3.647 20 5 GHBDHM O=c1oc2cc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)ccc2c2ccc([O-])cc12 ZINC001229797452 1033723078 /nfs/dbraw/zinc/72/30/78/1033723078.db2.gz BUDDERBHJCDEPW-WOVMCDHWSA-N -1 3 395.455 3.674 20 5 GHBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC001208192496 1034788801 /nfs/dbraw/zinc/78/88/01/1034788801.db2.gz BSJROCSZQNESQM-UHFFFAOYSA-N -1 3 392.330 3.540 20 5 GHBDHM Cc1nc2cc(-c3noc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4)n3)ccc2s1 ZINC001247998438 1038531168 /nfs/dbraw/zinc/53/11/68/1038531168.db2.gz DCZGJKDQNGEWBA-UHFFFAOYSA-N -1 3 381.373 3.815 20 5 GHBDHM COc1cc([O-])cc2oc3cc([O-])c(O[C@H]4CC[C@H]([NH+](C)C)CC4)cc3c(=O)c12 ZINC001234802477 1040333735 /nfs/dbraw/zinc/33/37/35/1040333735.db2.gz YIBYVBHICQENBK-MQMHXKEQSA-N -1 3 399.443 3.618 20 5 GHBDHM C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001304194028 1047610697 /nfs/dbraw/zinc/61/06/97/1047610697.db2.gz OTPXOQJYENVFIZ-JTQLQIEISA-N -1 3 379.210 3.596 20 5 GHBDHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC001309245173 1050513608 /nfs/dbraw/zinc/51/36/08/1050513608.db2.gz YOJGBCMEXSFDEM-AWEZNQCLSA-N -1 3 380.441 3.569 20 5 GHBDHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nccc4cc([N+](=O)[O-])ccc43)c[n-]c12 ZINC001457893978 1063425499 /nfs/dbraw/zinc/42/54/99/1063425499.db2.gz MTYUTMAJZWHODW-UHFFFAOYSA-N -1 3 392.346 3.684 20 5 GHBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001439452290 1064248570 /nfs/dbraw/zinc/24/85/70/1064248570.db2.gz JSYZKYDNBRQJDN-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2Cl)c(F)cc1[N+](=O)[O-] ZINC001464101914 1064823933 /nfs/dbraw/zinc/82/39/33/1064823933.db2.gz KQNFRXHBRKPIOV-SMDDNHRTSA-N -1 3 384.816 3.530 20 5 GHBDHM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001464802844 1065220515 /nfs/dbraw/zinc/22/05/15/1065220515.db2.gz WNBJMFRBVKKRKZ-SECBINFHSA-N -1 3 390.248 3.645 20 5 GHBDHM CC(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001471789694 1073219243 /nfs/dbraw/zinc/21/92/43/1073219243.db2.gz MUQZTIZPIHODPS-INIZCTEOSA-N -1 3 376.359 3.769 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC001475057513 1074714838 /nfs/dbraw/zinc/71/48/38/1074714838.db2.gz UJFJDGBKHMPXKH-GHMZBOCLSA-N -1 3 398.378 3.689 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccc(Cl)c3)cc(-c3nnn[n-]3)c2c1 ZINC000738368039 599258710 /nfs/dbraw/zinc/25/87/10/599258710.db2.gz ZCRUFXGUZOIKCK-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccc(Cl)c3)cc(-c3nn[n-]n3)c2c1 ZINC000738368039 599258712 /nfs/dbraw/zinc/25/87/12/599258712.db2.gz ZCRUFXGUZOIKCK-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000820461989 599273939 /nfs/dbraw/zinc/27/39/39/599273939.db2.gz UCRASQYYUFOZKJ-LURJTMIESA-N -1 3 398.185 3.789 20 5 GHBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1Cl ZINC000820461989 599273942 /nfs/dbraw/zinc/27/39/42/599273942.db2.gz UCRASQYYUFOZKJ-LURJTMIESA-N -1 3 398.185 3.789 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2CCC(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738374982 598504674 /nfs/dbraw/zinc/50/46/74/598504674.db2.gz WQARLOCCZQSQBE-UHFFFAOYSA-N -1 3 379.424 3.556 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2CCC(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738374982 598504676 /nfs/dbraw/zinc/50/46/76/598504676.db2.gz WQARLOCCZQSQBE-UHFFFAOYSA-N -1 3 379.424 3.556 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cccc(Oc2ccncc2)c1 ZINC000738357617 598756368 /nfs/dbraw/zinc/75/63/68/598756368.db2.gz GOEDUQXCYNLLKI-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cccc(Oc2ccncc2)c1 ZINC000738357617 598756369 /nfs/dbraw/zinc/75/63/69/598756369.db2.gz GOEDUQXCYNLLKI-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455823 599354215 /nfs/dbraw/zinc/35/42/15/599354215.db2.gz NLWKWYJZQXJANY-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455823 599354217 /nfs/dbraw/zinc/35/42/17/599354217.db2.gz NLWKWYJZQXJANY-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822228644 599486170 /nfs/dbraw/zinc/48/61/70/599486170.db2.gz BDTUYUAMUHUOKS-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822228644 599486171 /nfs/dbraw/zinc/48/61/71/599486171.db2.gz BDTUYUAMUHUOKS-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM CC(C)(C)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907909 599505490 /nfs/dbraw/zinc/50/54/90/599505490.db2.gz SPCCXBAUJYOELJ-ZDUSSCGKSA-N -1 3 381.440 3.728 20 5 GHBDHM CC(C)(C)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907909 599505493 /nfs/dbraw/zinc/50/54/93/599505493.db2.gz SPCCXBAUJYOELJ-ZDUSSCGKSA-N -1 3 381.440 3.728 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CSc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823644661 599562990 /nfs/dbraw/zinc/56/29/90/599562990.db2.gz JZQLRWWYEDXJMB-OAHLLOKOSA-N -1 3 391.416 3.582 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CSc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823644661 599562991 /nfs/dbraw/zinc/56/29/91/599562991.db2.gz JZQLRWWYEDXJMB-OAHLLOKOSA-N -1 3 391.416 3.582 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823643809 607461334 /nfs/dbraw/zinc/46/13/34/607461334.db2.gz BRVRULHQISTVAX-WZUFQYTHSA-N -1 3 386.730 3.792 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823643809 607461336 /nfs/dbraw/zinc/46/13/36/607461336.db2.gz BRVRULHQISTVAX-WZUFQYTHSA-N -1 3 386.730 3.792 20 5 GHBDHM O=C([O-])NC[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000834224219 605572447 /nfs/dbraw/zinc/57/24/47/605572447.db2.gz HQTDUDRGVRMWAN-NSHDSACASA-N -1 3 379.800 3.598 20 5 GHBDHM CCS[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456292 606400800 /nfs/dbraw/zinc/40/08/00/606400800.db2.gz OWIQNWVMZLAUGY-DGCLKSJQSA-N -1 3 399.480 3.799 20 5 GHBDHM CCS[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456292 606400802 /nfs/dbraw/zinc/40/08/02/606400802.db2.gz OWIQNWVMZLAUGY-DGCLKSJQSA-N -1 3 399.480 3.799 20 5 GHBDHM O=C(OCc1nc2ccccc2c2ccccc12)c1cc(-c2nnn[n-]2)cs1 ZINC000823440375 606569622 /nfs/dbraw/zinc/56/96/22/606569622.db2.gz QBLKCVAABBLKQN-UHFFFAOYSA-N -1 3 387.424 3.987 20 5 GHBDHM O=C(OCc1nc2ccccc2c2ccccc12)c1cc(-c2nn[n-]n2)cs1 ZINC000823440375 606569623 /nfs/dbraw/zinc/56/96/23/606569623.db2.gz QBLKCVAABBLKQN-UHFFFAOYSA-N -1 3 387.424 3.987 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000820456298 606644519 /nfs/dbraw/zinc/64/45/19/606644519.db2.gz RQJALJONKXVYQW-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823629982 606721750 /nfs/dbraw/zinc/72/17/50/606721750.db2.gz OTOHKEOYAZRHJG-QGZVFWFLSA-N -1 3 389.419 3.988 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823629982 606721752 /nfs/dbraw/zinc/72/17/52/606721752.db2.gz OTOHKEOYAZRHJG-QGZVFWFLSA-N -1 3 389.419 3.988 20 5 GHBDHM Cc1cc(Sc2cccc(-c3nnn[n-]3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826272739 607934162 /nfs/dbraw/zinc/93/41/62/607934162.db2.gz ZCCNEVDAZUAVDM-UHFFFAOYSA-N -1 3 391.416 3.692 20 5 GHBDHM Cc1cc(Sc2cccc(-c3nn[n-]n3)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826272739 607934163 /nfs/dbraw/zinc/93/41/63/607934163.db2.gz ZCCNEVDAZUAVDM-UHFFFAOYSA-N -1 3 391.416 3.692 20 5 GHBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826242743 608025049 /nfs/dbraw/zinc/02/50/49/608025049.db2.gz DDXPEAKBQFQYKZ-UHFFFAOYSA-N -1 3 392.375 3.626 20 5 GHBDHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825114485 608162656 /nfs/dbraw/zinc/16/26/56/608162656.db2.gz NDFOUPPWGHUEDZ-NSHDSACASA-N -1 3 392.847 3.973 20 5 GHBDHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825114485 608162657 /nfs/dbraw/zinc/16/26/57/608162657.db2.gz NDFOUPPWGHUEDZ-NSHDSACASA-N -1 3 392.847 3.973 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3cccc(-c4nnn[n-]4)c3F)sc2c1 ZINC000826499817 608395162 /nfs/dbraw/zinc/39/51/62/608395162.db2.gz YWHBMWRMCJXQHU-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3cccc(-c4nn[n-]n4)c3F)sc2c1 ZINC000826499817 608395163 /nfs/dbraw/zinc/39/51/63/608395163.db2.gz YWHBMWRMCJXQHU-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM CCc1c(C)sc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000825687697 609499499 /nfs/dbraw/zinc/49/94/99/609499499.db2.gz LVIWONIZPFMFFV-MDZDMXLPSA-N -1 3 398.448 3.749 20 5 GHBDHM CCc1c(C)sc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000825687697 609499502 /nfs/dbraw/zinc/49/95/02/609499502.db2.gz LVIWONIZPFMFFV-MDZDMXLPSA-N -1 3 398.448 3.749 20 5 GHBDHM COc1c([O-])ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000892352820 834956153 /nfs/dbraw/zinc/95/61/53/834956153.db2.gz ORVJFFWIDMHANN-ZIAGYGMSSA-N -1 3 387.436 3.535 20 5 GHBDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799494 844561870 /nfs/dbraw/zinc/56/18/70/844561870.db2.gz LZNXQSGJSCFVDA-UHFFFAOYSA-N -1 3 386.433 3.507 20 5 GHBDHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C(F)(F)F)o1 ZINC000474870687 861223390 /nfs/dbraw/zinc/22/33/90/861223390.db2.gz RCCAAKAEWFTJHK-UHFFFAOYSA-N -1 3 380.282 3.579 20 5 GHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000134543198 841738225 /nfs/dbraw/zinc/73/82/25/841738225.db2.gz VTQAZYHAMNZWEB-UHFFFAOYSA-N -1 3 389.359 3.732 20 5 GHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000134543198 841738232 /nfs/dbraw/zinc/73/82/32/841738232.db2.gz VTQAZYHAMNZWEB-UHFFFAOYSA-N -1 3 389.359 3.732 20 5 GHBDHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc([N+](=O)[O-])c1C ZINC000478866141 847329823 /nfs/dbraw/zinc/32/98/23/847329823.db2.gz GPNSKXGHLVBNBN-UHFFFAOYSA-N -1 3 381.182 3.632 20 5 GHBDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000100452196 848243706 /nfs/dbraw/zinc/24/37/06/848243706.db2.gz LQUKYBKTICKQSF-UHFFFAOYSA-N -1 3 397.840 3.788 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000487128818 850493482 /nfs/dbraw/zinc/49/34/82/850493482.db2.gz DZYNKSGJGDORHB-HNNXBMFYSA-N -1 3 398.893 3.557 20 5 GHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435435475 850523977 /nfs/dbraw/zinc/52/39/77/850523977.db2.gz YBEGCGABXHVWQD-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000604033014 862329667 /nfs/dbraw/zinc/32/96/67/862329667.db2.gz HWFAOWMNJMIJGH-UHFFFAOYSA-N -1 3 392.330 3.540 20 5 GHBDHM O=C([N-]c1c(Cl)cncc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001126918441 862582081 /nfs/dbraw/zinc/58/20/81/862582081.db2.gz AIYNBHVEJFVMQJ-UHFFFAOYSA-N -1 3 380.109 3.990 20 5 GHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000485128791 856128494 /nfs/dbraw/zinc/12/84/94/856128494.db2.gz YEFMYINGHGIMCA-UHFFFAOYSA-N -1 3 388.343 3.860 20 5 GHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000485128791 856128499 /nfs/dbraw/zinc/12/84/99/856128499.db2.gz YEFMYINGHGIMCA-UHFFFAOYSA-N -1 3 388.343 3.860 20 5 GHBDHM COc1ccc([C@H](C)CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000427983924 856974445 /nfs/dbraw/zinc/97/44/45/856974445.db2.gz NBPLRVIBXNYNPU-CYBMUJFWSA-N -1 3 380.404 3.548 20 5 GHBDHM C[C@H](CCc1ccccc1F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439157785 858584833 /nfs/dbraw/zinc/58/48/33/858584833.db2.gz YOVTUZNPZINJRA-CYBMUJFWSA-N -1 3 382.395 3.753 20 5 GHBDHM CN(CC1(c2ccc(Br)cc2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596142167 858791278 /nfs/dbraw/zinc/79/12/78/858791278.db2.gz FRHRKSSSPAQXFB-UHFFFAOYSA-N -1 3 378.226 3.626 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000094056592 860402548 /nfs/dbraw/zinc/40/25/48/860402548.db2.gz BIFIIYIFKFXNOZ-UHFFFAOYSA-N -1 3 392.415 3.831 20 5 GHBDHM Cc1ccnc(Oc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2C)c1 ZINC000444999302 867570387 /nfs/dbraw/zinc/57/03/87/867570387.db2.gz KPRGJQAKGVATMZ-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000535363360 868628835 /nfs/dbraw/zinc/62/88/35/868628835.db2.gz QLDQLHGZZJMGGJ-UHFFFAOYSA-N -1 3 389.260 3.731 20 5 GHBDHM CCOc1cc([N-]C(=O)c2noc3c2CCCCC3)c([N+](=O)[O-])cc1OCC ZINC000445562271 868630812 /nfs/dbraw/zinc/63/08/12/868630812.db2.gz AYVSINUDYAFHNN-UHFFFAOYSA-N -1 3 389.408 3.901 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)c2)n1 ZINC000744217674 868672694 /nfs/dbraw/zinc/67/26/94/868672694.db2.gz XQOUGXNTCRKHAN-UHFFFAOYSA-N -1 3 385.763 3.938 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000446972803 870831804 /nfs/dbraw/zinc/83/18/04/870831804.db2.gz WLVLQGZNDVQWDM-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM COc1cc(CNc2cccc(CC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000525708422 871268029 /nfs/dbraw/zinc/26/80/29/871268029.db2.gz ORIJKURUXQJGOS-UHFFFAOYSA-N -1 3 388.420 3.805 20 5 GHBDHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nn1C1CCCCC1 ZINC000540691088 871955817 /nfs/dbraw/zinc/95/58/17/871955817.db2.gz XPZMDWYWEBYILW-UHFFFAOYSA-N -1 3 394.435 3.669 20 5 GHBDHM CSc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1[N+](=O)[O-] ZINC000195489189 882591859 /nfs/dbraw/zinc/59/18/59/882591859.db2.gz YGYYRBAQXALMJR-UHFFFAOYSA-N -1 3 396.428 3.628 20 5 GHBDHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000443419800 872526813 /nfs/dbraw/zinc/52/68/13/872526813.db2.gz SNWCERZACPCUIJ-UHFFFAOYSA-N -1 3 377.466 3.695 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC(N(Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)CC1 ZINC000768355237 873254005 /nfs/dbraw/zinc/25/40/05/873254005.db2.gz OAFOITSAKAXZFC-UHFFFAOYSA-N -1 3 391.468 3.664 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(I)cc2F)c1 ZINC001201224715 875586403 /nfs/dbraw/zinc/58/64/03/875586403.db2.gz RHXOPETWVHDGRZ-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491578232 875803542 /nfs/dbraw/zinc/80/35/42/875803542.db2.gz DXLNQKLZUQCGFS-UHFFFAOYSA-N -1 3 389.477 3.921 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000610086254 877381991 /nfs/dbraw/zinc/38/19/91/877381991.db2.gz VBMOPLSFRYPHLW-UHFFFAOYSA-N -1 3 380.809 3.515 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2nc(-c3ccccc3)oc2C)cc([N+](=O)[O-])c1 ZINC000609838747 883743373 /nfs/dbraw/zinc/74/33/73/883743373.db2.gz MFCVLAZGUJVCAK-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194775909 884556095 /nfs/dbraw/zinc/55/60/95/884556095.db2.gz IJPRQOZRMHLGBB-UHFFFAOYSA-N -1 3 396.374 3.949 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc4ccccc4o3)cs2)n1 ZINC000191472373 885066184 /nfs/dbraw/zinc/06/61/84/885066184.db2.gz SJKRYRAPWYIIDT-UHFFFAOYSA-N -1 3 383.389 3.933 20 5 GHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC001211937029 887427193 /nfs/dbraw/zinc/42/71/93/887427193.db2.gz QPKWJFYGZYRABS-AWEZNQCLSA-N -1 3 390.795 3.841 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)nc21 ZINC001134753377 893289517 /nfs/dbraw/zinc/28/95/17/893289517.db2.gz KZLQMJZULHRBNG-UHFFFAOYSA-N -1 3 388.767 3.554 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000564390729 894928931 /nfs/dbraw/zinc/92/89/31/894928931.db2.gz USZFRORXXROBRG-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c(Cl)c1 ZINC000820799021 897558452 /nfs/dbraw/zinc/55/84/52/897558452.db2.gz UUCLRGOLCPIUDA-UHFFFAOYSA-N -1 3 382.612 3.751 20 5 GHBDHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800150925 898669726 /nfs/dbraw/zinc/66/97/26/898669726.db2.gz DKIPPNYMQIKWSG-UHFFFAOYSA-N -1 3 384.367 3.879 20 5 GHBDHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156193719 899515079 /nfs/dbraw/zinc/51/50/79/899515079.db2.gz QWJRBKYVCQIESB-UHFFFAOYSA-N -1 3 383.857 3.732 20 5 GHBDHM Cc1c([O-])ccc2c(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc(=O)oc12 ZINC000135241773 900208088 /nfs/dbraw/zinc/20/80/88/900208088.db2.gz KHGDBTVPVBVAIU-UHFFFAOYSA-N -1 3 380.400 3.880 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000600675290 902812510 /nfs/dbraw/zinc/81/25/10/902812510.db2.gz LGSAKOJNSBMUTG-GFCCVEGCSA-N -1 3 375.450 3.999 20 5 GHBDHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303351497 914670532 /nfs/dbraw/zinc/67/05/32/914670532.db2.gz QVRYDNQOOIGWMN-UHFFFAOYSA-N -1 3 389.371 3.501 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(Br)c(Cl)c3)no2)cc1[N+](=O)[O-] ZINC001212843979 903683529 /nfs/dbraw/zinc/68/35/29/903683529.db2.gz HRTKXLIFZJRJRQ-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)c1ccccn1 ZINC000779891717 909064307 /nfs/dbraw/zinc/06/43/07/909064307.db2.gz NUFOSFJGCHGBNN-CYBMUJFWSA-N -1 3 383.857 3.771 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001212937262 911787791 /nfs/dbraw/zinc/78/77/91/911787791.db2.gz VYCZFENLJXUKDO-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001190465113 917361964 /nfs/dbraw/zinc/36/19/64/917361964.db2.gz IJOFXPIDOVQZGP-LLVKDONJSA-N -1 3 391.287 3.771 20 5 GHBDHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800929907 920613192 /nfs/dbraw/zinc/61/31/92/920613192.db2.gz UQUHEXCAVIKDMF-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000758148007 929947910 /nfs/dbraw/zinc/94/79/10/929947910.db2.gz MGQPAXAWSCZXAV-UHFFFAOYSA-N -1 3 394.836 3.986 20 5 GHBDHM COc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)sc1Br ZINC000470695809 930832352 /nfs/dbraw/zinc/83/23/52/930832352.db2.gz FACAUORTPLTRLR-UHFFFAOYSA-N -1 3 375.175 3.819 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccncc2)c1C(F)F ZINC000782151323 931102243 /nfs/dbraw/zinc/10/22/43/931102243.db2.gz BSUBGRKJHGOXQU-UHFFFAOYSA-N -1 3 395.272 3.644 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000782517515 931252418 /nfs/dbraw/zinc/25/24/18/931252418.db2.gz NRXRJCWVXNTJSV-JTQLQIEISA-N -1 3 388.795 3.812 20 5 GHBDHM Cc1ccc(OC(F)F)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000778035630 934749894 /nfs/dbraw/zinc/74/98/94/934749894.db2.gz WBDLWAPUEPJNJY-UHFFFAOYSA-N -1 3 386.301 3.913 20 5 GHBDHM CC1(C)[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC001593835805 996589929 /nfs/dbraw/zinc/58/99/29/996589929.db2.gz RHLYJQJBBCLICI-MOPGFXCFSA-N -1 3 384.432 3.767 20 5 GHBDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000470623201 1016841601 /nfs/dbraw/zinc/84/16/01/1016841601.db2.gz UWOLMCLYTVADSS-UHFFFAOYSA-N -1 3 380.809 3.781 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227741642 1032538306 /nfs/dbraw/zinc/53/83/06/1032538306.db2.gz POLSXYBYHCFUIE-ZDUSSCGKSA-N -1 3 376.413 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227741642 1032538316 /nfs/dbraw/zinc/53/83/16/1032538316.db2.gz POLSXYBYHCFUIE-ZDUSSCGKSA-N -1 3 376.413 3.640 20 5 GHBDHM COC(=O)[C@@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)c1cccc(Cl)c1 ZINC001228675733 1033038974 /nfs/dbraw/zinc/03/89/74/1033038974.db2.gz SPKYZQNSPASXPQ-HNNXBMFYSA-N -1 3 375.768 3.726 20 5 GHBDHM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1cccc(Cl)c1 ZINC001228675733 1033038988 /nfs/dbraw/zinc/03/89/88/1033038988.db2.gz SPKYZQNSPASXPQ-HNNXBMFYSA-N -1 3 375.768 3.726 20 5 GHBDHM CCCSc1nc(Cl)c([N+](=O)[O-])c([N-][C@@H]2C(=O)Nc3ccc(C)cc32)n1 ZINC001162562913 1025797037 /nfs/dbraw/zinc/79/70/37/1025797037.db2.gz OTKWCSCJKGTGRU-NSHDSACASA-N -1 3 393.856 3.954 20 5 GHBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]n1 ZINC001162880189 1025951913 /nfs/dbraw/zinc/95/19/13/1025951913.db2.gz KEBUPRYKPXEAPO-UHFFFAOYSA-N -1 3 388.405 3.740 20 5 GHBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]1 ZINC001162880189 1025951917 /nfs/dbraw/zinc/95/19/17/1025951917.db2.gz KEBUPRYKPXEAPO-UHFFFAOYSA-N -1 3 388.405 3.740 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@H]2C)c([N+](=O)[O-])s1 ZINC001210419152 1027499826 /nfs/dbraw/zinc/49/98/26/1027499826.db2.gz CDXJSUCDGHOVAG-PSLIRLAXSA-N -1 3 384.454 3.706 20 5 GHBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CCC2)cc1 ZINC001213926843 1028455120 /nfs/dbraw/zinc/45/51/20/1028455120.db2.gz MVSZIHRWWPCOFP-GOSISDBHSA-N -1 3 394.424 3.562 20 5 GHBDHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001461499345 1069579200 /nfs/dbraw/zinc/57/92/00/1069579200.db2.gz HVHLXHIFKZHRFB-UHFFFAOYSA-N -1 3 380.809 3.994 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3nc(=S)[n-]c4sccc43)CC2)cc1 ZINC001229568587 1033563246 /nfs/dbraw/zinc/56/32/46/1033563246.db2.gz GTBGUPCIHSGBJY-UHFFFAOYSA-N -1 3 388.474 3.936 20 5 GHBDHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001209652555 1035343430 /nfs/dbraw/zinc/34/34/30/1035343430.db2.gz OFIDBQISCTWWLT-GFCCVEGCSA-N -1 3 396.440 3.523 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])s1 ZINC001309052551 1050304570 /nfs/dbraw/zinc/30/45/70/1050304570.db2.gz BBLJJRTVRWKJBT-UHFFFAOYSA-N -1 3 382.507 3.783 20 5 GHBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC001309243457 1050511487 /nfs/dbraw/zinc/51/14/87/1050511487.db2.gz JNDNSDWSPMTMKC-LSDHHAIUSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)c(F)cc1[N+](=O)[O-] ZINC001309611343 1050861261 /nfs/dbraw/zinc/86/12/61/1050861261.db2.gz BFJGJOISERHSSJ-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)ccc1Cl ZINC001318133420 1054438942 /nfs/dbraw/zinc/43/89/42/1054438942.db2.gz QUQGDVNOYCBTCB-UHFFFAOYSA-N -1 3 395.799 3.979 20 5 GHBDHM COc1cc(CNc2cc(C)c(Br)c(C)n2)c([N+](=O)[O-])cc1[O-] ZINC001323626038 1056992522 /nfs/dbraw/zinc/99/25/22/1056992522.db2.gz GTDGLORIINHTJW-UHFFFAOYSA-N -1 3 382.214 3.695 20 5 GHBDHM Nc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1[N+](=O)[O-] ZINC001450777689 1060684883 /nfs/dbraw/zinc/68/48/83/1060684883.db2.gz WEIQYSKCOILCQL-UHFFFAOYSA-N -1 3 377.400 3.920 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCCCCC2)c(C(F)(F)F)c1 ZINC001463710913 1064564864 /nfs/dbraw/zinc/56/48/64/1064564864.db2.gz IXZBWLHWIPNTNE-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667492 599054403 /nfs/dbraw/zinc/05/44/03/599054403.db2.gz MVFBQQWGQSMMMC-DVJZZOLTSA-N -1 3 385.815 3.633 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667492 599054406 /nfs/dbraw/zinc/05/44/06/599054406.db2.gz MVFBQQWGQSMMMC-DVJZZOLTSA-N -1 3 385.815 3.633 20 5 GHBDHM CCc1ccc([C@H]2C[C@@H](C)CCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821482930 599110522 /nfs/dbraw/zinc/11/05/22/599110522.db2.gz WOSNYSZBIHUHOI-YVEFUNNKSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@H]2C[C@@H](C)CCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821482930 599110524 /nfs/dbraw/zinc/11/05/24/599110524.db2.gz WOSNYSZBIHUHOI-YVEFUNNKSA-N -1 3 382.424 3.908 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000738366611 599253110 /nfs/dbraw/zinc/25/31/10/599253110.db2.gz FYYFJEINUMSMIR-QGZVFWFLSA-N -1 3 387.403 3.813 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000738366611 599253113 /nfs/dbraw/zinc/25/31/13/599253113.db2.gz FYYFJEINUMSMIR-QGZVFWFLSA-N -1 3 387.403 3.813 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000738371655 598557531 /nfs/dbraw/zinc/55/75/31/598557531.db2.gz VZCDNQGFXOSABH-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000738371655 598557532 /nfs/dbraw/zinc/55/75/32/598557532.db2.gz VZCDNQGFXOSABH-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cs1 ZINC000738358945 599326695 /nfs/dbraw/zinc/32/66/95/599326695.db2.gz GBPMCSJXMIMQBU-UHFFFAOYSA-N -1 3 395.404 3.636 20 5 GHBDHM COc1cccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821860003 599488128 /nfs/dbraw/zinc/48/81/28/599488128.db2.gz VTXRYARIKREJNR-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM COc1cccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821860003 599488129 /nfs/dbraw/zinc/48/81/29/599488129.db2.gz VTXRYARIKREJNR-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000823639885 599689395 /nfs/dbraw/zinc/68/93/95/599689395.db2.gz KMVHGDBFBKQNFT-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OC(F)F)c(-c2nn[n-]n2)c1 ZINC000823639885 599689396 /nfs/dbraw/zinc/68/93/96/599689396.db2.gz KMVHGDBFBKQNFT-UHFFFAOYSA-N -1 3 396.741 3.642 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2ccccc2c1 ZINC000826451125 607525170 /nfs/dbraw/zinc/52/51/70/607525170.db2.gz QYMBYYTWUVXVDD-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2ccccc2c1 ZINC000826451125 607525172 /nfs/dbraw/zinc/52/51/72/607525172.db2.gz QYMBYYTWUVXVDD-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825029401 608160912 /nfs/dbraw/zinc/16/09/12/608160912.db2.gz RKGBNSHRIFZXSG-ZHACJKMWSA-N -1 3 398.810 3.860 20 5 GHBDHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825029401 608160913 /nfs/dbraw/zinc/16/09/13/608160913.db2.gz RKGBNSHRIFZXSG-ZHACJKMWSA-N -1 3 398.810 3.860 20 5 GHBDHM CC1CCC(=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824899750 608160921 /nfs/dbraw/zinc/16/09/21/608160921.db2.gz NVCYLSPQJBJQSV-UHFFFAOYSA-N -1 3 376.804 3.503 20 5 GHBDHM CC1CCC(=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824899750 608160922 /nfs/dbraw/zinc/16/09/22/608160922.db2.gz NVCYLSPQJBJQSV-UHFFFAOYSA-N -1 3 376.804 3.503 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOc3c(Cl)cccc32)c(-c2nnn[n-]2)c1 ZINC000826499009 608589273 /nfs/dbraw/zinc/58/92/73/608589273.db2.gz RNOVNPBNCFXHDD-AWEZNQCLSA-N -1 3 386.799 3.754 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOc3c(Cl)cccc32)c(-c2nn[n-]n2)c1 ZINC000826499009 608589275 /nfs/dbraw/zinc/58/92/75/608589275.db2.gz RNOVNPBNCFXHDD-AWEZNQCLSA-N -1 3 386.799 3.754 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(C(F)(F)F)c1 ZINC000826498947 608673340 /nfs/dbraw/zinc/67/33/40/608673340.db2.gz PPGCGPLQKDLNKE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(C(F)(F)F)c1 ZINC000826498947 608673342 /nfs/dbraw/zinc/67/33/42/608673342.db2.gz PPGCGPLQKDLNKE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826499703 608873038 /nfs/dbraw/zinc/87/30/38/608873038.db2.gz SXZXDXHVEPSDKV-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826499703 608873041 /nfs/dbraw/zinc/87/30/41/608873041.db2.gz SXZXDXHVEPSDKV-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000052427769 834619488 /nfs/dbraw/zinc/61/94/88/834619488.db2.gz URMLKWQZZSYVLM-UHFFFAOYSA-N -1 3 393.802 3.948 20 5 GHBDHM COCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000480610303 835163962 /nfs/dbraw/zinc/16/39/62/835163962.db2.gz IHXLMHKZBVRTMD-QGZVFWFLSA-N -1 3 396.440 3.570 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c(C(F)(F)F)c1 ZINC000599460532 861211027 /nfs/dbraw/zinc/21/10/27/861211027.db2.gz YKMMYTYVYQAZNW-CMPLNLGQSA-N -1 3 392.380 3.510 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000433811890 845396499 /nfs/dbraw/zinc/39/64/99/845396499.db2.gz LRKAOYMDLATPNB-UHFFFAOYSA-N -1 3 386.433 3.848 20 5 GHBDHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)OC ZINC000421147785 847811826 /nfs/dbraw/zinc/81/18/26/847811826.db2.gz FYLFJXVOXDUGPA-HNNXBMFYSA-N -1 3 380.422 3.554 20 5 GHBDHM Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583265734 849488585 /nfs/dbraw/zinc/48/85/85/849488585.db2.gz RBYMCCKIQLUNIE-UHFFFAOYSA-N -1 3 383.448 3.702 20 5 GHBDHM O=[N+]([O-])c1cc2c(ncnc2NCc2ccc([O-])c(Br)c2)s1 ZINC000436648967 852158532 /nfs/dbraw/zinc/15/85/32/852158532.db2.gz POHRDOQQTJUXNE-UHFFFAOYSA-N -1 3 381.211 3.680 20 5 GHBDHM O=C([O-])C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000426829848 852416711 /nfs/dbraw/zinc/41/67/11/852416711.db2.gz SESXNHFVYPNYGQ-OAHLLOKOSA-N -1 3 379.210 3.663 20 5 GHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])c1F ZINC000485168644 856183081 /nfs/dbraw/zinc/18/30/81/856183081.db2.gz HWFZVIMOEKKNGD-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM Cc1cccc2c(CCC(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c[nH]c21 ZINC000439145486 858542440 /nfs/dbraw/zinc/54/24/40/858542440.db2.gz DRPBPKGNBWVOIS-UHFFFAOYSA-N -1 3 389.415 3.768 20 5 GHBDHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439158293 858597650 /nfs/dbraw/zinc/59/76/50/858597650.db2.gz ZUFAXUIOPWHNAQ-XCRHUMRWSA-N -1 3 386.452 3.719 20 5 GHBDHM Cc1ccc(C)c(C(=O)CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000522353038 859149840 /nfs/dbraw/zinc/14/98/40/859149840.db2.gz FFXKXNXWOABHEB-UHFFFAOYSA-N -1 3 392.415 3.625 20 5 GHBDHM Cc1cc(Br)oc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000128874135 859860258 /nfs/dbraw/zinc/86/02/58/859860258.db2.gz ZBDSBXHHFWFUPK-UHFFFAOYSA-N -1 3 397.181 3.672 20 5 GHBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cc1ccccc1 ZINC000444827102 867273193 /nfs/dbraw/zinc/27/31/93/867273193.db2.gz NWDUBIURPKXZBH-UHFFFAOYSA-N -1 3 379.372 3.547 20 5 GHBDHM CCCCn1ccnc1-c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444964105 867567660 /nfs/dbraw/zinc/56/76/60/867567660.db2.gz HYAPHWWHMVMLNS-UHFFFAOYSA-N -1 3 381.392 3.611 20 5 GHBDHM COc1cc(CNc2nnc(Cc3cccc(F)c3)s2)c([N+](=O)[O-])cc1[O-] ZINC000181819665 871505804 /nfs/dbraw/zinc/50/58/04/871505804.db2.gz WBNJVGUFPUQLTM-UHFFFAOYSA-N -1 3 390.396 3.503 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000541833593 874356389 /nfs/dbraw/zinc/35/63/89/874356389.db2.gz GYOMYOVPEHKRFI-UHFFFAOYSA-N -1 3 376.221 3.714 20 5 GHBDHM Cc1cc(I)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC001201232826 875567929 /nfs/dbraw/zinc/56/79/29/875567929.db2.gz USUDFGWHMKWFQQ-UHFFFAOYSA-N -1 3 386.145 3.663 20 5 GHBDHM COC(=O)c1cc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC001201221786 875585467 /nfs/dbraw/zinc/58/54/67/875585467.db2.gz HHPZYDQEFBKYEL-UHFFFAOYSA-N -1 3 397.181 3.602 20 5 GHBDHM CNC(=O)c1cc(Oc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c(F)c2)ccn1 ZINC001201224764 875586756 /nfs/dbraw/zinc/58/67/56/875586756.db2.gz UKFRMCRPGBQORT-UHFFFAOYSA-N -1 3 398.350 3.730 20 5 GHBDHM COc1cc(CNc2cccc(-c3noc(C4CC4)n3)c2)c([N+](=O)[O-])cc1[O-] ZINC001202219788 876064680 /nfs/dbraw/zinc/06/46/80/876064680.db2.gz LOXKQVYVMBDTHG-UHFFFAOYSA-N -1 3 382.376 3.849 20 5 GHBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000068659358 878845491 /nfs/dbraw/zinc/84/54/91/878845491.db2.gz BLHIXWDJKLFSPU-SFHVURJKSA-N -1 3 394.387 3.900 20 5 GHBDHM O=C([N-]C[C@H](OC1CCCC1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855391028 880495158 /nfs/dbraw/zinc/49/51/58/880495158.db2.gz GWFVXOLXJGIKLQ-ZDUSSCGKSA-N -1 3 396.312 3.693 20 5 GHBDHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000078923870 883608558 /nfs/dbraw/zinc/60/85/58/883608558.db2.gz PDQIUDFSXAFJTD-UHFFFAOYSA-N -1 3 398.868 3.729 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(F)c1 ZINC000120564444 888368405 /nfs/dbraw/zinc/36/84/05/888368405.db2.gz YNBIOEFEXVAQFX-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000133235112 898235468 /nfs/dbraw/zinc/23/54/68/898235468.db2.gz IHLKKROSGUAOKT-UHFFFAOYSA-N -1 3 385.243 3.804 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cc(Cl)cc(Br)c3)no2)cc1[N+](=O)[O-] ZINC001212844505 903727215 /nfs/dbraw/zinc/72/72/15/903727215.db2.gz XQNGWPVSZRQDHD-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001148161153 903999539 /nfs/dbraw/zinc/99/95/39/903999539.db2.gz QAQHYPGYMZDTQP-UHFFFAOYSA-N -1 3 399.353 3.698 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(Cl)c(F)c3)no2)[n-]nc1C(F)(F)F ZINC001212973319 916169145 /nfs/dbraw/zinc/16/91/45/916169145.db2.gz WJCJPWWHVIMQPO-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC001191340254 917915702 /nfs/dbraw/zinc/91/57/02/917915702.db2.gz JWGMUNUYDISNAN-YPMHNXCESA-N -1 3 392.399 3.718 20 5 GHBDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc(Cl)c2O1 ZINC000800927781 920611262 /nfs/dbraw/zinc/61/12/62/920611262.db2.gz AQQPCOKKNXMBEK-MRVPVSSYSA-N -1 3 386.788 3.512 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000800931073 920618093 /nfs/dbraw/zinc/61/80/93/920618093.db2.gz YJENIOKSDOFSLF-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(-c2ccccn2)no1 ZINC000543854225 928501171 /nfs/dbraw/zinc/50/11/71/928501171.db2.gz VKQUBUZCKDRPGV-UHFFFAOYSA-N -1 3 378.266 3.916 20 5 GHBDHM Cc1ncc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(=O)[n-]1 ZINC000544249350 928979087 /nfs/dbraw/zinc/97/90/87/928979087.db2.gz GUMLUDXVEYBTPR-UHFFFAOYSA-N -1 3 395.375 3.513 20 5 GHBDHM Cc1ccc2c(CCC(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c[nH]c2c1 ZINC000467442138 929076252 /nfs/dbraw/zinc/07/62/52/929076252.db2.gz KBRVJVYPFXCICT-UHFFFAOYSA-N -1 3 389.415 3.768 20 5 GHBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000467717526 929333934 /nfs/dbraw/zinc/33/39/34/929333934.db2.gz CWTFIPVZWNEFMV-UHFFFAOYSA-N -1 3 378.722 3.591 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000467760324 929381730 /nfs/dbraw/zinc/38/17/30/929381730.db2.gz STHHIGAFBARBKL-GFCCVEGCSA-N -1 3 376.406 3.754 20 5 GHBDHM O=C([N-][C@@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777899069 934021924 /nfs/dbraw/zinc/02/19/24/934021924.db2.gz VUQDBVFOXPDFSO-SFHVURJKSA-N -1 3 383.354 3.987 20 5 GHBDHM O=C([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952300 934356373 /nfs/dbraw/zinc/35/63/73/934356373.db2.gz RWHWGGNJMRKFFA-DLBZAZTESA-N -1 3 394.349 3.862 20 5 GHBDHM O=C([N-][C@@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777981231 934458243 /nfs/dbraw/zinc/45/82/43/934458243.db2.gz LAPAMXZQIDTPIJ-SFHVURJKSA-N -1 3 383.354 3.987 20 5 GHBDHM COc1cc(OC2Cc3ccccc3C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646017 1032500862 /nfs/dbraw/zinc/50/08/62/1032500862.db2.gz MJZMTBAYOBFAKS-UHFFFAOYSA-N -1 3 390.391 3.912 20 5 GHBDHM O=C(c1cccs1)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccs1 ZINC001227691155 1032518434 /nfs/dbraw/zinc/51/84/34/1032518434.db2.gz MYUIRJRPYZOAIR-HNNXBMFYSA-N -1 3 386.414 3.992 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@@H](F)C1 ZINC001227741596 1032537723 /nfs/dbraw/zinc/53/77/23/1032537723.db2.gz OUIHZCOXVVGMEC-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@@H](F)C1 ZINC001227741596 1032537730 /nfs/dbraw/zinc/53/77/30/1032537730.db2.gz OUIHZCOXVVGMEC-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740936 1032537850 /nfs/dbraw/zinc/53/78/50/1032537850.db2.gz DFAJLNPVGUHILQ-WBMJQRKESA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740936 1032537855 /nfs/dbraw/zinc/53/78/55/1032537855.db2.gz DFAJLNPVGUHILQ-WBMJQRKESA-N -1 3 390.440 3.886 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001228671472 1033035912 /nfs/dbraw/zinc/03/59/12/1033035912.db2.gz HVFQPJMGTKPARC-XHDPSFHLSA-N -1 3 394.403 3.506 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228674250 1033036424 /nfs/dbraw/zinc/03/64/24/1033036424.db2.gz JTMOEOZWVSTLCB-BLLLJJGKSA-N -1 3 390.440 3.804 20 5 GHBDHM Cc1[n-]c(=O)cc(OC2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228684918 1033042563 /nfs/dbraw/zinc/04/25/63/1033042563.db2.gz BMEHDXRUVPAUAE-UHFFFAOYSA-N -1 3 393.440 3.562 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228684926 1033043211 /nfs/dbraw/zinc/04/32/11/1033043211.db2.gz BRVBKISPGCKZKE-KUHUBIRLSA-N -1 3 393.440 3.562 20 5 GHBDHM CCOc1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Cl)c1[O-] ZINC001204840108 1033115533 /nfs/dbraw/zinc/11/55/33/1033115533.db2.gz LPAAGSVLRDWVCB-UHFFFAOYSA-N -1 3 391.855 3.675 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC(C)C)c1 ZINC001210731425 1027628029 /nfs/dbraw/zinc/62/80/29/1027628029.db2.gz IBLVINCIVYSFFP-UHFFFAOYSA-N -1 3 398.868 3.822 20 5 GHBDHM O=C(c1cc([O-])cc(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153132820 1031476673 /nfs/dbraw/zinc/47/66/73/1031476673.db2.gz UZXQOUJYBHUVFF-UHFFFAOYSA-N -1 3 391.221 3.868 20 5 GHBDHM COc1c([O-])ccc(CN2CCc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC001205782008 1033571365 /nfs/dbraw/zinc/57/13/65/1033571365.db2.gz WIFJIGGMBGHYGR-UHFFFAOYSA-N -1 3 393.237 3.630 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001207209626 1034177008 /nfs/dbraw/zinc/17/70/08/1034177008.db2.gz QLCRLOFLCKZNHS-UHFFFAOYSA-N -1 3 389.883 3.888 20 5 GHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC001264665967 1047403242 /nfs/dbraw/zinc/40/32/42/1047403242.db2.gz YXOQQLZBBWHTHK-UHFFFAOYSA-N -1 3 375.797 3.722 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c([N+](=O)[O-])s1 ZINC001309099542 1050351602 /nfs/dbraw/zinc/35/16/02/1050351602.db2.gz GTMUELMKNDBILM-UHFFFAOYSA-N -1 3 394.396 3.505 20 5 GHBDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309128605 1050386053 /nfs/dbraw/zinc/38/60/53/1050386053.db2.gz UGUFEFNMUCYHQI-GHMZBOCLSA-N -1 3 380.388 3.718 20 5 GHBDHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309178287 1050436083 /nfs/dbraw/zinc/43/60/83/1050436083.db2.gz XYOGXXUTDASCBM-ZDUSSCGKSA-N -1 3 388.898 3.918 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001309412322 1050694769 /nfs/dbraw/zinc/69/47/69/1050694769.db2.gz CIBSBBXRQHQIKW-LLVKDONJSA-N -1 3 386.520 3.732 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC001309460640 1050735945 /nfs/dbraw/zinc/73/59/45/1050735945.db2.gz NQNJKAYIZKAGBC-UHFFFAOYSA-N -1 3 389.260 3.813 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2c(OC)cccc2SC)cc([N+](=O)[O-])c1 ZINC001436849310 1063673555 /nfs/dbraw/zinc/67/35/55/1063673555.db2.gz WDTVFBBSXGVUBD-UHFFFAOYSA-N -1 3 390.417 3.754 20 5 GHBDHM CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2c(F)cc([O-])cc2F)cc1C ZINC001472886387 1073712768 /nfs/dbraw/zinc/71/27/68/1073712768.db2.gz PTLVYPZUQVQRDF-UHFFFAOYSA-N -1 3 380.347 3.718 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)c(F)c1 ZINC001475425641 1074870853 /nfs/dbraw/zinc/87/08/53/1074870853.db2.gz AIAADGTXZODWPV-UHFFFAOYSA-N -1 3 384.816 3.745 20 5 GHBDHM Cc1cnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c([N+](=O)[O-])c1 ZINC000822394570 599105351 /nfs/dbraw/zinc/10/53/51/599105351.db2.gz DCDUPZJCBZMANX-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM CCc1ccc([C@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821483117 599110510 /nfs/dbraw/zinc/11/05/10/599110510.db2.gz XSEMRWCLZBBIOO-YVEFUNNKSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821483117 599110511 /nfs/dbraw/zinc/11/05/11/599110511.db2.gz XSEMRWCLZBBIOO-YVEFUNNKSA-N -1 3 382.424 3.908 20 5 GHBDHM Cc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737424798 599262560 /nfs/dbraw/zinc/26/25/60/599262560.db2.gz XNCUOPLWQVQNHK-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737424798 599262561 /nfs/dbraw/zinc/26/25/61/599262561.db2.gz XNCUOPLWQVQNHK-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736056032 598245169 /nfs/dbraw/zinc/24/51/69/598245169.db2.gz KWZJOVMMSGYAHU-QMMMGPOBSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736056032 598245170 /nfs/dbraw/zinc/24/51/70/598245170.db2.gz KWZJOVMMSGYAHU-QMMMGPOBSA-N -1 3 394.222 3.520 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000735912820 598787097 /nfs/dbraw/zinc/78/70/97/598787097.db2.gz IFTVBXHFRBPQIE-UHFFFAOYSA-N -1 3 389.799 3.795 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000735912820 598787098 /nfs/dbraw/zinc/78/70/98/598787098.db2.gz IFTVBXHFRBPQIE-UHFFFAOYSA-N -1 3 389.799 3.795 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235276 598814040 /nfs/dbraw/zinc/81/40/40/598814040.db2.gz FOQAAYFINUYFEI-IAQYHMDHSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@@H]1C[C@H]1c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235276 598814041 /nfs/dbraw/zinc/81/40/41/598814041.db2.gz FOQAAYFINUYFEI-IAQYHMDHSA-N -1 3 380.408 3.660 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CCCCC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645230 599519739 /nfs/dbraw/zinc/51/97/39/599519739.db2.gz PZOALWYEYIWSPC-UHFFFAOYSA-N -1 3 393.451 3.874 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CCCCC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645230 599519740 /nfs/dbraw/zinc/51/97/40/599519740.db2.gz PZOALWYEYIWSPC-UHFFFAOYSA-N -1 3 393.451 3.874 20 5 GHBDHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396881 599531506 /nfs/dbraw/zinc/53/15/06/599531506.db2.gz IZZUXCWSCAOULZ-GFCCVEGCSA-N -1 3 394.435 3.563 20 5 GHBDHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396881 599531508 /nfs/dbraw/zinc/53/15/08/599531508.db2.gz IZZUXCWSCAOULZ-GFCCVEGCSA-N -1 3 394.435 3.563 20 5 GHBDHM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822274616 599542147 /nfs/dbraw/zinc/54/21/47/599542147.db2.gz CSHIDUZRCBUJPH-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822274616 599542149 /nfs/dbraw/zinc/54/21/49/599542149.db2.gz CSHIDUZRCBUJPH-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM COc1cccc([C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)c1 ZINC000738092953 600942522 /nfs/dbraw/zinc/94/25/22/600942522.db2.gz TZOKCSVBOHIJLV-KRWDZBQOSA-N -1 3 393.827 3.670 20 5 GHBDHM O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000740096719 600943055 /nfs/dbraw/zinc/94/30/55/600943055.db2.gz OXOVDURXJZDFSK-CYBMUJFWSA-N -1 3 375.812 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(SCc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823643797 606475111 /nfs/dbraw/zinc/47/51/11/606475111.db2.gz BIBRLVKGMQXKIP-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM O=[N+]([O-])c1ccc(SCc2cccc(OC(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823643797 606475113 /nfs/dbraw/zinc/47/51/13/606475113.db2.gz BIBRLVKGMQXKIP-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1F ZINC000736138721 606591799 /nfs/dbraw/zinc/59/17/99/606591799.db2.gz OGRJYOGKTSADEI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1F ZINC000736138721 606591800 /nfs/dbraw/zinc/59/18/00/606591800.db2.gz OGRJYOGKTSADEI-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823639525 606879871 /nfs/dbraw/zinc/87/98/71/606879871.db2.gz CDJPQDQWNYELCM-INIZCTEOSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CC3(CCC3)Oc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823639525 606879873 /nfs/dbraw/zinc/87/98/73/606879873.db2.gz CDJPQDQWNYELCM-INIZCTEOSA-N -1 3 378.392 3.633 20 5 GHBDHM COc1ccccc1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826218983 608124216 /nfs/dbraw/zinc/12/42/16/608124216.db2.gz PZQVVDJYBOTCEU-MRXNPFEDSA-N -1 3 380.408 3.515 20 5 GHBDHM COc1ccccc1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826218983 608124217 /nfs/dbraw/zinc/12/42/17/608124217.db2.gz PZQVVDJYBOTCEU-MRXNPFEDSA-N -1 3 380.408 3.515 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOc3cc(Cl)ccc32)c(-c2nnn[n-]2)c1 ZINC000826498909 608588560 /nfs/dbraw/zinc/58/85/60/608588560.db2.gz OCVBGXZDAHXXBB-AWEZNQCLSA-N -1 3 386.799 3.754 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOc3cc(Cl)ccc32)c(-c2nn[n-]n2)c1 ZINC000826498909 608588562 /nfs/dbraw/zinc/58/85/62/608588562.db2.gz OCVBGXZDAHXXBB-AWEZNQCLSA-N -1 3 386.799 3.754 20 5 GHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023345781 834348437 /nfs/dbraw/zinc/34/84/37/834348437.db2.gz ZPGXXYPOPLONPQ-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cs1 ZINC000120108406 834503019 /nfs/dbraw/zinc/50/30/19/834503019.db2.gz ARZSYNMMIVKGCE-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM CCOc1ccc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000107198086 841213422 /nfs/dbraw/zinc/21/34/22/841213422.db2.gz IALUATAAEKNJMB-UHFFFAOYSA-N -1 3 384.417 3.688 20 5 GHBDHM O=C([N-]c1nc2ccc(Oc3ccccc3)cc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000126647007 841775847 /nfs/dbraw/zinc/77/58/47/841775847.db2.gz IFOUZLAXQXYFBQ-UHFFFAOYSA-N -1 3 381.373 3.972 20 5 GHBDHM Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581886463 842457460 /nfs/dbraw/zinc/45/74/60/842457460.db2.gz FFZVIPOGEQZJNM-AWEZNQCLSA-N -1 3 384.436 3.634 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432612227 843298925 /nfs/dbraw/zinc/29/89/25/843298925.db2.gz PHAQEUPKDSAOPK-OAHLLOKOSA-N -1 3 395.444 3.870 20 5 GHBDHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126206822 845367986 /nfs/dbraw/zinc/36/79/86/845367986.db2.gz XKQWCANJWUWPOS-UHFFFAOYSA-N -1 3 396.153 3.532 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1C ZINC000135510820 846502116 /nfs/dbraw/zinc/50/21/16/846502116.db2.gz OQFOANODQNDHGF-UHFFFAOYSA-N -1 3 396.375 3.826 20 5 GHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)c1 ZINC000478322690 847047301 /nfs/dbraw/zinc/04/73/01/847047301.db2.gz CIDWXONNONJGOT-UHFFFAOYSA-N -1 3 391.359 3.632 20 5 GHBDHM CC(C)c1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000050294923 847592831 /nfs/dbraw/zinc/59/28/31/847592831.db2.gz XCQYKKXLNWFNPA-UHFFFAOYSA-N -1 3 375.435 3.946 20 5 GHBDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604487934 862248192 /nfs/dbraw/zinc/24/81/92/862248192.db2.gz YDBCBDLPUYBUQA-UHFFFAOYSA-N -1 3 398.868 3.513 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000506312742 852672787 /nfs/dbraw/zinc/67/27/87/852672787.db2.gz QFXDIFHSZTXKFA-UHFFFAOYSA-N -1 3 375.856 3.662 20 5 GHBDHM COc1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)ccc1[N+](=O)[O-] ZINC000517199026 853487313 /nfs/dbraw/zinc/48/73/13/853487313.db2.gz DWUZJCGTFWXVNG-UHFFFAOYSA-N -1 3 392.767 3.995 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1[O-] ZINC000571526666 853936245 /nfs/dbraw/zinc/93/62/45/853936245.db2.gz XBCUARLODQZUDD-UHFFFAOYSA-N -1 3 397.431 3.992 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2F)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001212429787 855670913 /nfs/dbraw/zinc/67/09/13/855670913.db2.gz WDYCDLVFEMLUEX-KRWDZBQOSA-N -1 3 384.404 3.857 20 5 GHBDHM O=C([O-])CC[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000596022090 858763146 /nfs/dbraw/zinc/76/31/46/858763146.db2.gz ODMVZJCMTFPLSL-NSHDSACASA-N -1 3 386.326 3.988 20 5 GHBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129921862 859978022 /nfs/dbraw/zinc/97/80/22/859978022.db2.gz WPMDCBVJGBFFSD-FQEVSTJZSA-N -1 3 397.456 3.675 20 5 GHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 ZINC000266001379 881559475 /nfs/dbraw/zinc/55/94/75/881559475.db2.gz OQSBAKMRNINAKK-UHFFFAOYSA-N -1 3 380.426 3.619 20 5 GHBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000599386049 861149157 /nfs/dbraw/zinc/14/91/57/861149157.db2.gz VRZFIIFYGXKMJO-UHFFFAOYSA-N -1 3 397.503 3.788 20 5 GHBDHM CSc1cccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1[N+](=O)[O-] ZINC000186284625 864644545 /nfs/dbraw/zinc/64/45/45/864644545.db2.gz APUZRDYWTUXJFN-UHFFFAOYSA-N -1 3 396.428 3.628 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC001211896789 864922756 /nfs/dbraw/zinc/92/27/56/864922756.db2.gz GRDQBFBNKCLFKH-CYBMUJFWSA-N -1 3 393.303 3.850 20 5 GHBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000183579302 866885146 /nfs/dbraw/zinc/88/51/46/866885146.db2.gz NJKXLIBDCPAPHL-UHFFFAOYSA-N -1 3 388.783 3.835 20 5 GHBDHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c(C)c2c1 ZINC000609315188 882032108 /nfs/dbraw/zinc/03/21/08/882032108.db2.gz MDEYVQPYQMVWGV-SNVBAGLBSA-N -1 3 396.446 3.759 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2ncncc2Cl)c([N+](=O)[O-])cc1OCCC ZINC000428509389 882036461 /nfs/dbraw/zinc/03/64/61/882036461.db2.gz YCDIYDZOISLPEA-UHFFFAOYSA-N -1 3 394.815 3.868 20 5 GHBDHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274180 867163202 /nfs/dbraw/zinc/16/32/02/867163202.db2.gz PSHVCQHUUOEGDG-SNVBAGLBSA-N -1 3 379.276 3.604 20 5 GHBDHM CCOC(=O)Nc1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001124681082 868605828 /nfs/dbraw/zinc/60/58/28/868605828.db2.gz KZRPSJVCFOPPRV-UHFFFAOYSA-N -1 3 383.282 3.833 20 5 GHBDHM CCOc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1[N+](=O)[O-] ZINC000744218324 868674479 /nfs/dbraw/zinc/67/44/79/868674479.db2.gz YIRWBQHJXSWHTD-UHFFFAOYSA-N -1 3 395.371 3.684 20 5 GHBDHM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc4c(cc3[O-])CCCC4)n2)c1 ZINC000445574791 868686929 /nfs/dbraw/zinc/68/69/29/868686929.db2.gz NZAUJWCWEYJTAU-UHFFFAOYSA-N -1 3 381.388 3.829 20 5 GHBDHM CC(C)(C)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000443528691 873513386 /nfs/dbraw/zinc/51/33/86/873513386.db2.gz JRIASALOCNSQCZ-UHFFFAOYSA-N -1 3 378.450 3.582 20 5 GHBDHM O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2ccccn2)no1 ZINC000770327381 874602078 /nfs/dbraw/zinc/60/20/78/874602078.db2.gz ZTIOZZUMYPPFTN-UHFFFAOYSA-N -1 3 389.165 3.660 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccc(Cl)c2I)c1 ZINC001199802755 875194748 /nfs/dbraw/zinc/19/47/48/875194748.db2.gz XVPAOKJKTZZVPL-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM COC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)cc1Br ZINC001201224957 875587076 /nfs/dbraw/zinc/58/70/76/875587076.db2.gz XEWWMAOHONHLEF-UHFFFAOYSA-N -1 3 381.182 3.902 20 5 GHBDHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186815904 876273107 /nfs/dbraw/zinc/27/31/07/876273107.db2.gz ZQJXZARASCMKBD-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000610006697 877280389 /nfs/dbraw/zinc/28/03/89/877280389.db2.gz ZWHCCLFWJDRIQD-OAHLLOKOSA-N -1 3 384.404 3.919 20 5 GHBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152210577 877314081 /nfs/dbraw/zinc/31/40/81/877314081.db2.gz LVAQQVBNHCHAFL-UHFFFAOYSA-N -1 3 384.310 3.631 20 5 GHBDHM Cc1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)c2ccc(C)cc2)c1C ZINC000461185165 879336352 /nfs/dbraw/zinc/33/63/52/879336352.db2.gz JCQBVUSVHHUBNW-UHFFFAOYSA-N -1 3 398.444 3.798 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2cncc(Cl)n2)c([N+](=O)[O-])cc1OCCC ZINC000790163371 879500375 /nfs/dbraw/zinc/50/03/75/879500375.db2.gz CPAVREWYKBHONR-UHFFFAOYSA-N -1 3 394.815 3.868 20 5 GHBDHM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cncc(Cl)n1 ZINC000790984512 880141502 /nfs/dbraw/zinc/14/15/02/880141502.db2.gz BZOWNBDWNLSWNF-UHFFFAOYSA-N -1 3 384.779 3.870 20 5 GHBDHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303075552 885448525 /nfs/dbraw/zinc/44/85/25/885448525.db2.gz QYISBUGKAVUSHP-GFCCVEGCSA-N -1 3 396.428 3.677 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1[O-] ZINC000808188366 886083024 /nfs/dbraw/zinc/08/30/24/886083024.db2.gz ULHXQNNAEFEYHU-UHFFFAOYSA-N -1 3 383.404 3.746 20 5 GHBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130217308 889099854 /nfs/dbraw/zinc/09/98/54/889099854.db2.gz BOSQXLZGRSHYKQ-UHFFFAOYSA-N -1 3 383.414 3.975 20 5 GHBDHM COc1ccc(SC)c(OC)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000763394263 889229524 /nfs/dbraw/zinc/22/95/24/889229524.db2.gz SRHDMVHFZNEJQJ-UHFFFAOYSA-N -1 3 384.360 3.864 20 5 GHBDHM COc1cc(CNc2cc([C@@H](O)c3ccccn3)ccc2C)c([N+](=O)[O-])cc1[O-] ZINC000812845645 891034936 /nfs/dbraw/zinc/03/49/36/891034936.db2.gz JQKXNJBHHQLKFN-OAQYLSRUSA-N -1 3 395.415 3.706 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ncc(F)cc1F ZINC000192101857 892228296 /nfs/dbraw/zinc/22/82/96/892228296.db2.gz URQNQNJTMZDNRC-UHFFFAOYSA-N -1 3 383.310 3.751 20 5 GHBDHM CC1CCN([C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c2cccs2)CC1 ZINC000567980835 897521348 /nfs/dbraw/zinc/52/13/48/897521348.db2.gz PBAGMCXTIKZYLI-AWEZNQCLSA-N -1 3 390.465 3.635 20 5 GHBDHM O=c1[n-]ccc(N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC001186054286 914286476 /nfs/dbraw/zinc/28/64/76/914286476.db2.gz PGRBLJMMENXXST-UHFFFAOYSA-N -1 3 376.210 3.752 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCc2csc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000823639541 899151072 /nfs/dbraw/zinc/15/10/72/899151072.db2.gz CVXNYEUBTQDYQC-UHFFFAOYSA-N -1 3 393.432 3.553 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCc2csc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000823639541 899151084 /nfs/dbraw/zinc/15/10/84/899151084.db2.gz CVXNYEUBTQDYQC-UHFFFAOYSA-N -1 3 393.432 3.553 20 5 GHBDHM CN(C)c1cc(F)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000824168466 899440070 /nfs/dbraw/zinc/44/00/70/899440070.db2.gz SJZGLLDFXGIZIH-UHFFFAOYSA-N -1 3 393.444 3.951 20 5 GHBDHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000901787739 921565082 /nfs/dbraw/zinc/56/50/82/921565082.db2.gz RGSULCKWWQFFAB-INIZCTEOSA-N -1 3 384.310 3.694 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001187209975 915120553 /nfs/dbraw/zinc/12/05/53/915120553.db2.gz RUHBXMBNLASIHY-GDBMZVCRSA-N -1 3 394.880 3.938 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(F)c(Cl)c3)no2)[n-]nc1C(F)(F)F ZINC001212972311 916162492 /nfs/dbraw/zinc/16/24/92/916162492.db2.gz NLXTXAJYRXNOEE-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc(F)c3Cl)no2)[n-]nc1C(F)(F)F ZINC001212973181 916167356 /nfs/dbraw/zinc/16/73/56/916167356.db2.gz ULKMSBXFSTUUEA-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001190025497 917062596 /nfs/dbraw/zinc/06/25/96/917062596.db2.gz SNAMTEZZVBTXGC-HUUCEWRRSA-N -1 3 380.491 3.969 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cc(F)cc32)c([N+](=O)[O-])s1 ZINC001190759005 917524313 /nfs/dbraw/zinc/52/43/13/917524313.db2.gz HPMOCAVWCWSHIA-ZDUSSCGKSA-N -1 3 388.417 3.599 20 5 GHBDHM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000012017376 925884305 /nfs/dbraw/zinc/88/43/05/925884305.db2.gz JMSRQFAXXZXRPB-UHFFFAOYSA-N -1 3 390.808 3.648 20 5 GHBDHM CC(C)CO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000750028639 927395407 /nfs/dbraw/zinc/39/54/07/927395407.db2.gz URNCOTGANHIBJE-UHFFFAOYSA-N -1 3 394.431 3.694 20 5 GHBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000467714383 929330366 /nfs/dbraw/zinc/33/03/66/929330366.db2.gz NLNSVUBPQZQQPX-UHFFFAOYSA-N -1 3 378.722 3.591 20 5 GHBDHM O=C([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952301 934355997 /nfs/dbraw/zinc/35/59/97/934355997.db2.gz RWHWGGNJMRKFFA-IAGOWNOFSA-N -1 3 394.349 3.862 20 5 GHBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001575118768 951985239 /nfs/dbraw/zinc/98/52/39/951985239.db2.gz SUJMKZLLFJWPKD-SNVBAGLBSA-N -1 3 381.421 3.600 20 5 GHBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001575118768 951985246 /nfs/dbraw/zinc/98/52/46/951985246.db2.gz SUJMKZLLFJWPKD-SNVBAGLBSA-N -1 3 381.421 3.600 20 5 GHBDHM C[C@@](NCc1cccc(-c2ccccn2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304951 994756544 /nfs/dbraw/zinc/75/65/44/994756544.db2.gz UPUZLUGKVJMEFH-NRFANRHFSA-N -1 3 377.400 3.746 20 5 GHBDHM O=C([N-]Cc1coc(-c2cccs2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777922000 1017854028 /nfs/dbraw/zinc/85/40/28/1017854028.db2.gz IOSJNORLGUDNDE-UHFFFAOYSA-N -1 3 379.344 3.720 20 5 GHBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155272 1032811854 /nfs/dbraw/zinc/81/18/54/1032811854.db2.gz RESVFSHFJXXDGZ-CYBMUJFWSA-N -1 3 381.388 3.504 20 5 GHBDHM O=c1[n-]ccc(NCc2c(F)c(F)c(Br)c(F)c2F)c1[N+](=O)[O-] ZINC001163565996 1026236831 /nfs/dbraw/zinc/23/68/31/1026236831.db2.gz KRMAFIOBVKHHOO-UHFFFAOYSA-N -1 3 396.094 3.626 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001164225738 1026456736 /nfs/dbraw/zinc/45/67/36/1026456736.db2.gz KZQXAKCQJRNXQX-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC001462843212 1070591006 /nfs/dbraw/zinc/59/10/06/1070591006.db2.gz IAXCQYPDHPKLJO-OAHLLOKOSA-N -1 3 388.367 3.794 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c(F)cc1[N+](=O)[O-] ZINC001462897168 1070637383 /nfs/dbraw/zinc/63/73/83/1070637383.db2.gz GQUBIKJREXMPMT-AWEZNQCLSA-N -1 3 384.816 3.662 20 5 GHBDHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC001301962077 1046764039 /nfs/dbraw/zinc/76/40/39/1046764039.db2.gz KFTRBMODGWSOQQ-UHFFFAOYSA-N -1 3 388.430 3.858 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC001463130871 1070834322 /nfs/dbraw/zinc/83/43/22/1070834322.db2.gz WQWDGFCVZLQRDZ-HNNXBMFYSA-N -1 3 384.404 3.919 20 5 GHBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(Oc2ccccc2)ccc1[O-] ZINC001290275560 1049787347 /nfs/dbraw/zinc/78/73/47/1049787347.db2.gz SOXAXVAAUVYLGK-UHFFFAOYSA-N -1 3 393.399 3.935 20 5 GHBDHM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475282013 1050204167 /nfs/dbraw/zinc/20/41/67/1050204167.db2.gz LFRNMLVXEDMCHQ-NXEZZACHSA-N -1 3 380.388 3.717 20 5 GHBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC001309243456 1050511839 /nfs/dbraw/zinc/51/18/39/1050511839.db2.gz JNDNSDWSPMTMKC-HUUCEWRRSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)cc1C ZINC001309455478 1050732614 /nfs/dbraw/zinc/73/26/14/1050732614.db2.gz ACVCJZNYYSKGMA-UHFFFAOYSA-N -1 3 392.452 3.751 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c2ncccc12 ZINC001309697932 1050925904 /nfs/dbraw/zinc/92/59/04/1050925904.db2.gz MCZGDMAJCSPCOK-HNNXBMFYSA-N -1 3 399.419 3.635 20 5 GHBDHM O=C(Nc1cc([O-])cc(Br)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001449491756 1060413382 /nfs/dbraw/zinc/41/33/82/1060413382.db2.gz CCLKEPIJOSQMRY-UHFFFAOYSA-N -1 3 392.209 3.890 20 5 GHBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC001460047556 1064373002 /nfs/dbraw/zinc/37/30/02/1064373002.db2.gz AGGXNJPGSVBWDJ-UHFFFAOYSA-N -1 3 384.994 3.589 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1F ZINC001463568242 1064467327 /nfs/dbraw/zinc/46/73/27/1064467327.db2.gz OVFCLTUJLZCWLF-UHFFFAOYSA-N -1 3 390.795 3.740 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)c(F)cc1[N+](=O)[O-] ZINC001463652750 1064528586 /nfs/dbraw/zinc/52/85/86/1064528586.db2.gz UHBPTSJTLHJZKC-DZGCQCFKSA-N -1 3 396.415 3.796 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001463654964 1064530982 /nfs/dbraw/zinc/53/09/82/1064530982.db2.gz DGEJUYAIUKNNQH-GJZGRUSLSA-N -1 3 378.425 3.739 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C)c3ccccc23)c([N+](=O)[O-])s1 ZINC001463881112 1064691895 /nfs/dbraw/zinc/69/18/95/1064691895.db2.gz VQPBTCXOOWCNFR-UHFFFAOYSA-N -1 3 376.459 3.905 20 5 GHBDHM COc1ccc([N-]C(=O)c2cc(F)c(Br)cc2F)c([N+](=O)[O-])c1 ZINC001352704182 1065241865 /nfs/dbraw/zinc/24/18/65/1065241865.db2.gz RLQVGLKCVVIREA-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1OCc1ccccc1 ZINC001472075906 1073326520 /nfs/dbraw/zinc/32/65/20/1073326520.db2.gz SILSQBDKVROKKM-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM NC(=O)c1cc(Sc2nnc([N-]c3ccccc3F)s2)ccc1[N+](=O)[O-] ZINC001472639149 1073590038 /nfs/dbraw/zinc/59/00/38/1073590038.db2.gz ISGVWGPLNMIZFC-UHFFFAOYSA-N -1 3 391.409 3.579 20 5 GHBDHM COc1c([O-])ccc(CNc2ccc(C(=O)NC3CCCC3)cc2)c1[N+](=O)[O-] ZINC001474605856 1074481345 /nfs/dbraw/zinc/48/13/45/1074481345.db2.gz XTSGCRXKQNFEQR-UHFFFAOYSA-N -1 3 385.420 3.594 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC001475206183 1074784795 /nfs/dbraw/zinc/78/47/95/1074784795.db2.gz WMDPJOZGOGYQST-LLVKDONJSA-N -1 3 388.795 3.812 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC1 ZINC001475378834 1074854273 /nfs/dbraw/zinc/85/42/73/1074854273.db2.gz DAFVUGJKEIBGDB-CYBMUJFWSA-N -1 3 380.388 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC3(CC3)C2)c(C(F)(F)F)c1 ZINC001475725603 1075009767 /nfs/dbraw/zinc/00/97/67/1075009767.db2.gz QPWUVTTWJCCZFP-JTQLQIEISA-N -1 3 378.372 3.615 20 5 GHBDHM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000738252325 599027125 /nfs/dbraw/zinc/02/71/25/599027125.db2.gz ZUQGUJVLVXLSIH-UHFFFAOYSA-N -1 3 393.384 3.723 20 5 GHBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000737291061 598782486 /nfs/dbraw/zinc/78/24/86/598782486.db2.gz HAVHKMMQOKPKGY-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000737291061 598782487 /nfs/dbraw/zinc/78/24/87/598782487.db2.gz HAVHKMMQOKPKGY-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000736370403 598814362 /nfs/dbraw/zinc/81/43/62/598814362.db2.gz QVAUGEUINVKGOP-CYBMUJFWSA-N -1 3 390.350 3.940 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000736370403 598814364 /nfs/dbraw/zinc/81/43/64/598814364.db2.gz QVAUGEUINVKGOP-CYBMUJFWSA-N -1 3 390.350 3.940 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1ccccc1Br ZINC000823634505 599322328 /nfs/dbraw/zinc/32/23/28/599322328.db2.gz IJONUFDRBMTGKH-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1ccccc1Br ZINC000823634505 599322331 /nfs/dbraw/zinc/32/23/31/599322331.db2.gz IJONUFDRBMTGKH-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736964311 599443791 /nfs/dbraw/zinc/44/37/91/599443791.db2.gz WVTMKAFOGUBULL-QLJPJBMISA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736964311 599443793 /nfs/dbraw/zinc/44/37/93/599443793.db2.gz WVTMKAFOGUBULL-QLJPJBMISA-N -1 3 388.815 3.616 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826497954 608016695 /nfs/dbraw/zinc/01/66/95/608016695.db2.gz ALGMKODAGDQNML-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826497954 608016696 /nfs/dbraw/zinc/01/66/96/608016696.db2.gz ALGMKODAGDQNML-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nnn[n-]2)c1 ZINC000826498728 609150546 /nfs/dbraw/zinc/15/05/46/609150546.db2.gz HIGQNWWWZKLPNV-QGZVFWFLSA-N -1 3 394.439 3.576 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nn[n-]n2)c1 ZINC000826498728 609150547 /nfs/dbraw/zinc/15/05/47/609150547.db2.gz HIGQNWWWZKLPNV-QGZVFWFLSA-N -1 3 394.439 3.576 20 5 GHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175558221 836680291 /nfs/dbraw/zinc/68/02/91/836680291.db2.gz ONTALPUOANCHKM-UHFFFAOYSA-N -1 3 397.156 3.535 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ncccc2C)C(C)C)c1C ZINC000480990243 838393601 /nfs/dbraw/zinc/39/36/01/838393601.db2.gz OZDUEKFQJYQWNA-MRXNPFEDSA-N -1 3 377.466 3.591 20 5 GHBDHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000489798294 861248330 /nfs/dbraw/zinc/24/83/30/861248330.db2.gz FCPSKWYXGKSZBB-KRWDZBQOSA-N -1 3 380.853 3.986 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432612226 843298638 /nfs/dbraw/zinc/29/86/38/843298638.db2.gz PHAQEUPKDSAOPK-HNNXBMFYSA-N -1 3 395.444 3.870 20 5 GHBDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)oc21 ZINC000512763743 845367914 /nfs/dbraw/zinc/36/79/14/845367914.db2.gz UHNLEAGGBKACOQ-JTQLQIEISA-N -1 3 396.446 3.841 20 5 GHBDHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514133240 851278845 /nfs/dbraw/zinc/27/88/45/851278845.db2.gz VJFPEIAZBMDVMS-UHFFFAOYSA-N -1 3 392.343 3.967 20 5 GHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(-c2ccccc2)n1 ZINC000426809627 852420909 /nfs/dbraw/zinc/42/09/09/852420909.db2.gz VXMJRVNUKMCQFA-INIZCTEOSA-N -1 3 383.429 3.504 20 5 GHBDHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439158292 853347664 /nfs/dbraw/zinc/34/76/64/853347664.db2.gz ZUFAXUIOPWHNAQ-SKDZVZGDSA-N -1 3 386.452 3.719 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(Cl)c1 ZINC000055975280 854280919 /nfs/dbraw/zinc/28/09/19/854280919.db2.gz IUOPKMDOXQXDBF-CYBMUJFWSA-N -1 3 384.866 3.764 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c(Cl)c1 ZINC000055989350 854295953 /nfs/dbraw/zinc/29/59/53/854295953.db2.gz ONXDRGGSUSESRW-KRWDZBQOSA-N -1 3 392.820 3.909 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1OC ZINC000572415291 854484682 /nfs/dbraw/zinc/48/46/82/854484682.db2.gz ZXOBTUBPAOBOOW-JJRVBVJISA-N -1 3 394.468 3.713 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(Cl)c1 ZINC000184767020 855801240 /nfs/dbraw/zinc/80/12/40/855801240.db2.gz YDDWSINULMBBGJ-UHFFFAOYSA-N -1 3 377.809 3.906 20 5 GHBDHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000508265811 857121084 /nfs/dbraw/zinc/12/10/84/857121084.db2.gz SYQWFYZXVCLVCG-ZDUSSCGKSA-N -1 3 398.868 3.694 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] ZINC000442233404 857659101 /nfs/dbraw/zinc/65/91/01/857659101.db2.gz MBBDIGYCYFWYEC-UHFFFAOYSA-N -1 3 376.768 3.944 20 5 GHBDHM COc1c([O-])ccc(CN2Cc3ccc(C)c(Br)c3C2)c1[N+](=O)[O-] ZINC001183046391 912214406 /nfs/dbraw/zinc/21/44/06/912214406.db2.gz XMEFGDUVZWRYLQ-UHFFFAOYSA-N -1 3 393.237 3.896 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000523164607 866815969 /nfs/dbraw/zinc/81/59/69/866815969.db2.gz XIRUYKSORLUIBK-HOTGVXAUSA-N -1 3 382.807 3.802 20 5 GHBDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1F ZINC000534928634 867782169 /nfs/dbraw/zinc/78/21/69/867782169.db2.gz ROFLSWBXAILGCE-UHFFFAOYSA-N -1 3 384.722 3.858 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000594733668 868373198 /nfs/dbraw/zinc/37/31/98/868373198.db2.gz BDLLSILEYKEAHK-RCCFBDPRSA-N -1 3 385.420 3.715 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)n1 ZINC000744218247 868674452 /nfs/dbraw/zinc/67/44/52/868674452.db2.gz VXKKLSCHGFKDEH-UHFFFAOYSA-N -1 3 390.355 3.766 20 5 GHBDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000462320899 869219025 /nfs/dbraw/zinc/21/90/25/869219025.db2.gz TUGSEWMNUXXUIC-LBPRGKRZSA-N -1 3 398.868 3.729 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c([O-])c1 ZINC000538925633 870937119 /nfs/dbraw/zinc/93/71/19/870937119.db2.gz AQIJJGOKGNZBBM-UHFFFAOYSA-N -1 3 390.417 3.841 20 5 GHBDHM O=C(CCc1cncc2ccccc21)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000463116084 870951982 /nfs/dbraw/zinc/95/19/82/870951982.db2.gz MNXIIFRBOBAPHS-UHFFFAOYSA-N -1 3 387.399 3.526 20 5 GHBDHM CCOC(=O)c1cnn(-c2ccc(F)cc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801682 875194597 /nfs/dbraw/zinc/19/45/97/875194597.db2.gz GLQBRJHPVHQCIC-UHFFFAOYSA-N -1 3 386.339 3.546 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cc(I)cc2F)c1 ZINC001201222089 875585679 /nfs/dbraw/zinc/58/56/79/875585679.db2.gz KCNCUHKGXYJIQX-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000610032323 877320426 /nfs/dbraw/zinc/32/04/26/877320426.db2.gz IKNMWTLEGJOPRZ-UHFFFAOYSA-N -1 3 393.440 3.697 20 5 GHBDHM O=C(Cc1c[nH]c2ccc(Cl)cc12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000610090486 877386117 /nfs/dbraw/zinc/38/61/17/877386117.db2.gz PQSNEJSJKNYNEY-UHFFFAOYSA-N -1 3 395.806 3.723 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c([O-])c1 ZINC000537826513 878347279 /nfs/dbraw/zinc/34/72/79/878347279.db2.gz UVSSMKFEZVRERL-UHFFFAOYSA-N -1 3 386.385 3.944 20 5 GHBDHM O=C(CCCc1c[nH]c2ccccc12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499018742 886367026 /nfs/dbraw/zinc/36/70/26/886367026.db2.gz HFLOIGDGHBWENS-UHFFFAOYSA-N -1 3 389.415 3.850 20 5 GHBDHM Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000862718142 886557451 /nfs/dbraw/zinc/55/74/51/886557451.db2.gz GSGWJMBBYHKWSD-UHFFFAOYSA-N -1 3 388.380 3.603 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000809809270 887819420 /nfs/dbraw/zinc/81/94/20/887819420.db2.gz VDQDDHGLTUYRAU-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778403082 894891317 /nfs/dbraw/zinc/89/13/17/894891317.db2.gz GGHDEBAXPNUJKV-UHFFFAOYSA-N -1 3 387.136 3.793 20 5 GHBDHM CC(C)Oc1nc(NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC001185801429 914093445 /nfs/dbraw/zinc/09/34/45/914093445.db2.gz HDGRRGCPQIXLNB-UHFFFAOYSA-N -1 3 382.214 3.857 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000800144593 898659595 /nfs/dbraw/zinc/65/95/95/898659595.db2.gz XPJCXPJCWCWJHN-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000800147895 898664532 /nfs/dbraw/zinc/66/45/32/898664532.db2.gz USERFOSQOAALQS-JTQLQIEISA-N -1 3 382.816 3.660 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1[O-] ZINC000577800243 903208726 /nfs/dbraw/zinc/20/87/26/903208726.db2.gz MJDDRASQVAERGF-UHFFFAOYSA-N -1 3 393.193 3.826 20 5 GHBDHM Cc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1[N+](=O)[O-] ZINC000265166837 903681076 /nfs/dbraw/zinc/68/10/76/903681076.db2.gz GIBSGTZGVPNDNV-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1[N+](=O)[O-] ZINC001212844018 903685490 /nfs/dbraw/zinc/68/54/90/903685490.db2.gz IQCHNSIFQQMYQZ-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000901787741 921565942 /nfs/dbraw/zinc/56/59/42/921565942.db2.gz RGSULCKWWQFFAB-MRXNPFEDSA-N -1 3 384.310 3.694 20 5 GHBDHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001187102664 915011701 /nfs/dbraw/zinc/01/17/01/915011701.db2.gz XSRLEOOLWPTIDM-JTQLQIEISA-N -1 3 393.303 3.850 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccc(F)cc1F ZINC001187131147 915046675 /nfs/dbraw/zinc/04/66/75/915046675.db2.gz ZOFSWUHICFDLRU-AWEZNQCLSA-N -1 3 388.367 3.750 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])s1 ZINC001187173219 915093612 /nfs/dbraw/zinc/09/36/12/915093612.db2.gz LSSQQZRGYBWWGY-UHFFFAOYSA-N -1 3 386.882 3.628 20 5 GHBDHM COc1cc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000800272496 919826549 /nfs/dbraw/zinc/82/65/49/919826549.db2.gz RZGCAXGVKJGAOE-PKOBYXMFSA-N -1 3 388.420 3.603 20 5 GHBDHM C/C(=C\C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752600997 928917336 /nfs/dbraw/zinc/91/73/36/928917336.db2.gz RONUIYYZSFSEKA-DHZHZOJOSA-N -1 3 391.221 3.783 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467809753 929449372 /nfs/dbraw/zinc/44/93/72/929449372.db2.gz PXDUPKIKEATHGG-UHFFFAOYSA-N -1 3 392.749 3.520 20 5 GHBDHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559145400 932461924 /nfs/dbraw/zinc/46/19/24/932461924.db2.gz JIFQLHCPEJURMU-AEFFLSMTSA-N -1 3 379.819 3.628 20 5 GHBDHM O=C(CCC(=O)c1ccc(Cl)cc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000544859800 1015115215 /nfs/dbraw/zinc/11/52/15/1015115215.db2.gz QMHZYQUZWKHCPK-UHFFFAOYSA-N -1 3 398.806 3.662 20 5 GHBDHM COc1cc(O[C@H](C)C2CCOCC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647204 1032501022 /nfs/dbraw/zinc/50/10/22/1032501022.db2.gz WRSDWGXSCGKPIG-LLVKDONJSA-N -1 3 386.400 3.560 20 5 GHBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cc(Br)ccc1F ZINC001227691555 1032518669 /nfs/dbraw/zinc/51/86/69/1032518669.db2.gz PIKIQAXJVMZEFR-SSDOTTSWSA-N -1 3 381.161 3.908 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000778017952 1018025209 /nfs/dbraw/zinc/02/52/09/1018025209.db2.gz OHUVWKDVPHGUKH-UHFFFAOYSA-N -1 3 390.248 3.510 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228672235 1033037618 /nfs/dbraw/zinc/03/76/18/1033037618.db2.gz RCNKWSMHOJVMDM-GFCCVEGCSA-N -1 3 376.413 3.558 20 5 GHBDHM Cc1[n-]c(=O)cc(OC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC001228685636 1033044982 /nfs/dbraw/zinc/04/49/82/1033044982.db2.gz IZBFOYGBIGTTGG-UHFFFAOYSA-N -1 3 393.440 3.562 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001228689660 1033047005 /nfs/dbraw/zinc/04/70/05/1033047005.db2.gz VNWRJMMRAJYIAL-GFCCVEGCSA-N -1 3 381.429 3.561 20 5 GHBDHM CC(=O)c1cccc([N+](=O)[O-])c1OC(=C([O-])c1ccccn1)c1ccccn1 ZINC001228970416 1033208007 /nfs/dbraw/zinc/20/80/07/1033208007.db2.gz IHSGZDLVYGRTNP-HXUWFJFHSA-N -1 3 377.356 3.590 20 5 GHBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001163063087 1026032560 /nfs/dbraw/zinc/03/25/60/1026032560.db2.gz WVHRXANTFVFCLR-UHFFFAOYSA-N -1 3 393.425 3.692 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c(F)cc1[N+](=O)[O-] ZINC001208561561 1034934574 /nfs/dbraw/zinc/93/45/74/1034934574.db2.gz WOZPANALJPWDJG-UHFFFAOYSA-N -1 3 393.223 3.828 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001247999104 1038531962 /nfs/dbraw/zinc/53/19/62/1038531962.db2.gz HMAVWUPVWDTFEL-UHFFFAOYSA-N -1 3 394.265 3.796 20 5 GHBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497218 1039391587 /nfs/dbraw/zinc/39/15/87/1039391587.db2.gz GBPITQJELYAJAZ-MGCOHNPYSA-N -1 3 396.831 3.901 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500371 1039393743 /nfs/dbraw/zinc/39/37/43/1039393743.db2.gz RGXWBRZZWFIDMO-OTYXRUKQSA-N -1 3 396.831 3.759 20 5 GHBDHM CCCOc1ccc(-c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001256287287 1041684820 /nfs/dbraw/zinc/68/48/20/1041684820.db2.gz LTEDCSJRNKLSCS-UHFFFAOYSA-N -1 3 383.286 3.843 20 5 GHBDHM CCCOc1ccc(-c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001256287287 1041684829 /nfs/dbraw/zinc/68/48/29/1041684829.db2.gz LTEDCSJRNKLSCS-UHFFFAOYSA-N -1 3 383.286 3.843 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2c(ccnc2Cl)o1 ZINC001264282135 1047295405 /nfs/dbraw/zinc/29/54/05/1047295405.db2.gz JAPOGCRKAXXNOF-UHFFFAOYSA-N -1 3 389.751 3.803 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001306927800 1048963515 /nfs/dbraw/zinc/96/35/15/1048963515.db2.gz MBLHAHGSTJCVQG-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM CCOc1ccccc1Oc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001306936052 1048967994 /nfs/dbraw/zinc/96/79/94/1048967994.db2.gz ZVVVTGWVWSZHNM-UHFFFAOYSA-N -1 3 382.376 3.894 20 5 GHBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001309552574 1050805246 /nfs/dbraw/zinc/80/52/46/1050805246.db2.gz XGBWKJGJNKHVGV-HNNXBMFYSA-N -1 3 380.853 3.913 20 5 GHBDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccnc12 ZINC001318740025 1054836135 /nfs/dbraw/zinc/83/61/35/1054836135.db2.gz NULTZGQJLSQQPZ-UHFFFAOYSA-N -1 3 377.809 3.906 20 5 GHBDHM COc1cc(C(=O)Nc2cc([O-])cc(Br)c2)cc([N+](=O)[O-])c1C ZINC001449504424 1060416298 /nfs/dbraw/zinc/41/62/98/1060416298.db2.gz JDDKRSJDXVTXJK-UHFFFAOYSA-N -1 3 381.182 3.632 20 5 GHBDHM CC(C)Oc1cc(C(=O)[N-]c2nc(-c3cccnc3)ns2)ccc1[N+](=O)[O-] ZINC001458069077 1063542579 /nfs/dbraw/zinc/54/25/79/1063542579.db2.gz RPDITIPWZAZRNT-UHFFFAOYSA-N -1 3 385.405 3.548 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)CC1 ZINC001464396600 1064987371 /nfs/dbraw/zinc/98/73/71/1064987371.db2.gz FUPUJPZDEVENEQ-IBGZPJMESA-N -1 3 383.448 3.503 20 5 GHBDHM CC(C)C(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001471789695 1073219507 /nfs/dbraw/zinc/21/95/07/1073219507.db2.gz MUQZTIZPIHODPS-MRXNPFEDSA-N -1 3 376.359 3.769 20 5 GHBDHM Cc1ccc(-c2nc(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])n[n-]2)o1 ZINC001472526785 1073531415 /nfs/dbraw/zinc/53/14/15/1073531415.db2.gz UJQCQUMTKSZEQB-UHFFFAOYSA-N -1 3 375.772 3.506 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)c2ncnc(NCCc3c(F)cc([O-])cc3F)c2c1 ZINC001472885713 1073712735 /nfs/dbraw/zinc/71/27/35/1073712735.db2.gz GQYGXDBASWSEEL-UHFFFAOYSA-N -1 3 380.738 3.830 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001474969793 1074659450 /nfs/dbraw/zinc/65/94/50/1074659450.db2.gz OBBMBTXTBZMFKQ-DMDPSCGWSA-N -1 3 392.399 3.861 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC001475102950 1074738534 /nfs/dbraw/zinc/73/85/34/1074738534.db2.gz NXWSZEADLSFTST-UHFFFAOYSA-N -1 3 394.396 3.586 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735913828 599065313 /nfs/dbraw/zinc/06/53/13/599065313.db2.gz RMDSDFADNVEVSW-UHFFFAOYSA-N -1 3 389.412 3.994 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735913828 599065315 /nfs/dbraw/zinc/06/53/15/599065315.db2.gz RMDSDFADNVEVSW-UHFFFAOYSA-N -1 3 389.412 3.994 20 5 GHBDHM C[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736140361 599120820 /nfs/dbraw/zinc/12/08/20/599120820.db2.gz UOYWGRRJIVKOJG-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736140361 599120823 /nfs/dbraw/zinc/12/08/23/599120823.db2.gz UOYWGRRJIVKOJG-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738360653 599173863 /nfs/dbraw/zinc/17/38/63/599173863.db2.gz RRLVADZSHZKWHR-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000738367020 599258583 /nfs/dbraw/zinc/25/85/83/599258583.db2.gz NNVHIEJZBVJTRS-HNNXBMFYSA-N -1 3 393.432 3.726 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3cccs3)cc(-c3nn[n-]n3)c2c1 ZINC000738367020 599258586 /nfs/dbraw/zinc/25/85/86/599258586.db2.gz NNVHIEJZBVJTRS-HNNXBMFYSA-N -1 3 393.432 3.726 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735640007 598298569 /nfs/dbraw/zinc/29/85/69/598298569.db2.gz UKMNYKKPELAJQA-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735640007 598298571 /nfs/dbraw/zinc/29/85/71/598298571.db2.gz UKMNYKKPELAJQA-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM O=[N+]([O-])c1cccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000738366136 599326650 /nfs/dbraw/zinc/32/66/50/599326650.db2.gz DSZBWIGJMMENRT-UHFFFAOYSA-N -1 3 389.375 3.574 20 5 GHBDHM O=C([O-])/C=C/c1ccc(Nc2cccc(CN3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000739625443 599711556 /nfs/dbraw/zinc/71/15/56/599711556.db2.gz PTIPHPJHHAPFCM-FNORWQNLSA-N -1 3 399.472 3.985 20 5 GHBDHM C[C@@H](c1ccncc1)N1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833552157 604929557 /nfs/dbraw/zinc/92/95/57/604929557.db2.gz WWJPJBWUOSOEBE-QTLSWZBMSA-N -1 3 396.447 3.725 20 5 GHBDHM C[C@H](c1ccccc1F)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570861 606456947 /nfs/dbraw/zinc/45/69/47/606456947.db2.gz SAKFPPGXFCPQMZ-LLVKDONJSA-N -1 3 393.382 3.660 20 5 GHBDHM C[C@H](c1ccccc1F)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820570861 606456948 /nfs/dbraw/zinc/45/69/48/606456948.db2.gz SAKFPPGXFCPQMZ-LLVKDONJSA-N -1 3 393.382 3.660 20 5 GHBDHM CCCC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)CCC ZINC000825221172 608161859 /nfs/dbraw/zinc/16/18/59/608161859.db2.gz YPPBIKVVTBRYLU-UHFFFAOYSA-N -1 3 378.820 3.893 20 5 GHBDHM CCCC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)CCC ZINC000825221172 608161861 /nfs/dbraw/zinc/16/18/61/608161861.db2.gz YPPBIKVVTBRYLU-UHFFFAOYSA-N -1 3 378.820 3.893 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000826499700 608186209 /nfs/dbraw/zinc/18/62/09/608186209.db2.gz SUSIFCQWIFFOCS-UHFFFAOYSA-N -1 3 383.311 3.667 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000826499700 608186211 /nfs/dbraw/zinc/18/62/11/608186211.db2.gz SUSIFCQWIFFOCS-UHFFFAOYSA-N -1 3 383.311 3.667 20 5 GHBDHM Cc1ccnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000826314398 608294614 /nfs/dbraw/zinc/29/46/14/608294614.db2.gz VFCPUZYBPIQMIJ-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1ccnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826314398 608294615 /nfs/dbraw/zinc/29/46/15/608294615.db2.gz VFCPUZYBPIQMIJ-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000824649509 608416159 /nfs/dbraw/zinc/41/61/59/608416159.db2.gz NACHTGSTEZINTQ-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccncc2)cc1 ZINC000826498478 608878155 /nfs/dbraw/zinc/87/81/55/608878155.db2.gz WOYVTVUVBXHCIZ-GZTJUZNOSA-N -1 3 388.362 3.898 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccncc2)cc1 ZINC000826498478 608878158 /nfs/dbraw/zinc/87/81/58/608878158.db2.gz WOYVTVUVBXHCIZ-GZTJUZNOSA-N -1 3 388.362 3.898 20 5 GHBDHM CSCCCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826228617 609588114 /nfs/dbraw/zinc/58/81/14/609588114.db2.gz VEQXMNLOFGITPZ-UHFFFAOYSA-N -1 3 387.469 3.658 20 5 GHBDHM CSCCCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826228617 609588117 /nfs/dbraw/zinc/58/81/17/609588117.db2.gz VEQXMNLOFGITPZ-UHFFFAOYSA-N -1 3 387.469 3.658 20 5 GHBDHM COc1c([O-])ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000892352818 834956134 /nfs/dbraw/zinc/95/61/34/834956134.db2.gz ORVJFFWIDMHANN-KBPBESRZSA-N -1 3 387.436 3.535 20 5 GHBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)cc1Br ZINC000319035905 835844924 /nfs/dbraw/zinc/84/49/24/835844924.db2.gz ADMXAAGVNUUSPN-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)ccc1[N+](=O)[O-] ZINC000177383464 837948276 /nfs/dbraw/zinc/94/82/76/837948276.db2.gz XJFQCECVTVRVMC-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM CC(C)Cc1nnc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000014380414 840169292 /nfs/dbraw/zinc/16/92/92/840169292.db2.gz OXUFVAIKAAZEMO-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM CCOC[C@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417601632 841056397 /nfs/dbraw/zinc/05/63/97/841056397.db2.gz IIJSUIWFSDKPNQ-INIZCTEOSA-N -1 3 390.461 3.634 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000051160783 842004485 /nfs/dbraw/zinc/00/44/85/842004485.db2.gz HOXAPERPYXUBPR-UHFFFAOYSA-N -1 3 398.868 3.524 20 5 GHBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH][n-]1 ZINC000512847015 843880932 /nfs/dbraw/zinc/88/09/32/843880932.db2.gz SVIJCHVAGMFMRC-UHFFFAOYSA-N -1 3 386.795 3.630 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)c(Cl)c1 ZINC000604017392 861589232 /nfs/dbraw/zinc/58/92/32/861589232.db2.gz BBEOQJXJSAJILW-UHFFFAOYSA-N -1 3 386.882 3.709 20 5 GHBDHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000178571754 847009357 /nfs/dbraw/zinc/00/93/57/847009357.db2.gz LSPXGHGZHJFFFY-JTQLQIEISA-N -1 3 394.225 3.623 20 5 GHBDHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001211555822 848252208 /nfs/dbraw/zinc/25/22/08/848252208.db2.gz SXDURPVVCJJTGC-CYBMUJFWSA-N -1 3 398.481 3.810 20 5 GHBDHM CCN(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1)C(C)C ZINC000731781301 861885647 /nfs/dbraw/zinc/88/56/47/861885647.db2.gz LVCZRCLGYNQKLX-UHFFFAOYSA-N -1 3 377.466 3.939 20 5 GHBDHM Cc1c(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000435428761 850511224 /nfs/dbraw/zinc/51/12/24/850511224.db2.gz UTELUXNXHSVEQS-UHFFFAOYSA-N -1 3 393.223 3.828 20 5 GHBDHM CC(C)N1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000550075065 851397082 /nfs/dbraw/zinc/39/70/82/851397082.db2.gz LYCMUFVWOLHUCM-AZUAARDMSA-N -1 3 391.418 3.892 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)c(Cl)c1 ZINC000515755187 851435273 /nfs/dbraw/zinc/43/52/73/851435273.db2.gz QNHKVSVEKJIOMC-UHFFFAOYSA-N -1 3 396.877 3.984 20 5 GHBDHM CCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000488674700 851700258 /nfs/dbraw/zinc/70/02/58/851700258.db2.gz MOWBNRFWKZPMEQ-UHFFFAOYSA-N -1 3 379.210 3.555 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436960517 852532440 /nfs/dbraw/zinc/53/24/40/852532440.db2.gz QVAUZSIPALXBCW-YJBOKZPZSA-N -1 3 383.448 3.598 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(Cl)c1 ZINC000490001843 852697916 /nfs/dbraw/zinc/69/79/16/852697916.db2.gz KQBFABPIWIZQGS-JTQLQIEISA-N -1 3 382.816 3.742 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000490172108 852804357 /nfs/dbraw/zinc/80/43/57/852804357.db2.gz KRFYYWWMRLBDGD-UHFFFAOYSA-N -1 3 386.882 3.709 20 5 GHBDHM Cc1cccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)c1C ZINC000485426770 856486574 /nfs/dbraw/zinc/48/65/74/856486574.db2.gz RCLCVJSBLDURSX-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000509619279 858814940 /nfs/dbraw/zinc/81/49/40/858814940.db2.gz NPDRXOQPGTURSC-OAHLLOKOSA-N -1 3 378.450 3.732 20 5 GHBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3N)s2)c1 ZINC000522344023 859096614 /nfs/dbraw/zinc/09/66/14/859096614.db2.gz XFMAVYDOXJNWTB-UHFFFAOYSA-N -1 3 387.396 3.704 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)c1 ZINC000727354831 860050852 /nfs/dbraw/zinc/05/08/52/860050852.db2.gz RICADIAFTJMYIO-FPLPWBNLSA-N -1 3 383.223 3.770 20 5 GHBDHM CN(C)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000598997824 860717751 /nfs/dbraw/zinc/71/77/51/860717751.db2.gz JPKIVZIBXVYKAG-INIZCTEOSA-N -1 3 384.263 4.000 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000603640217 860968828 /nfs/dbraw/zinc/96/88/28/860968828.db2.gz RVMUHRBPNMEHDN-AWEZNQCLSA-N -1 3 384.841 3.686 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@](C)(Cc2ccccc2)C2CC2)c([N+](=O)[O-])s1 ZINC001212187939 861045520 /nfs/dbraw/zinc/04/55/20/861045520.db2.gz LLQXILMBAPLJKC-QGZVFWFLSA-N -1 3 380.491 3.654 20 5 GHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186128382 864323171 /nfs/dbraw/zinc/32/31/71/864323171.db2.gz OVZKSBWYQMMJCJ-UHFFFAOYSA-N -1 3 393.787 3.740 20 5 GHBDHM CCCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000063737566 865267684 /nfs/dbraw/zinc/26/76/84/865267684.db2.gz KKEYDENUTRKEHC-UHFFFAOYSA-N -1 3 377.466 3.859 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534247415 866371483 /nfs/dbraw/zinc/37/14/83/866371483.db2.gz TYYWROHTOUJYPM-UHFFFAOYSA-N -1 3 376.166 3.797 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463172948 871086194 /nfs/dbraw/zinc/08/61/94/871086194.db2.gz SRRHQSMOJFKRTC-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Oc4ccccc4)cc3s2)n1 ZINC000539017750 871116730 /nfs/dbraw/zinc/11/67/30/871116730.db2.gz OWHMXDKLPFQLKA-UHFFFAOYSA-N -1 3 395.400 3.983 20 5 GHBDHM CCOC(=O)CCCc1nc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2n1C ZINC001201221546 875585187 /nfs/dbraw/zinc/58/51/87/875585187.db2.gz ALEQQXJGMOAEHO-UHFFFAOYSA-N -1 3 398.419 3.817 20 5 GHBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000030007969 875813596 /nfs/dbraw/zinc/81/35/96/875813596.db2.gz SZWRAFVIVKHZIS-KRWDZBQOSA-N -1 3 396.852 3.686 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000609917371 877184711 /nfs/dbraw/zinc/18/47/11/877184711.db2.gz PHTHXDNAMAXPEV-OAHLLOKOSA-N -1 3 380.853 3.548 20 5 GHBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2c2cccnc12 ZINC000178189786 879037709 /nfs/dbraw/zinc/03/77/09/879037709.db2.gz AOTGLNFFLNQRAP-UHFFFAOYSA-N -1 3 380.411 3.744 20 5 GHBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2c2cccnc12 ZINC000178189786 879037722 /nfs/dbraw/zinc/03/77/22/879037722.db2.gz AOTGLNFFLNQRAP-UHFFFAOYSA-N -1 3 380.411 3.744 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)ccc1[N+](=O)[O-] ZINC000609520807 883296845 /nfs/dbraw/zinc/29/68/45/883296845.db2.gz GGKBOWAUCOBMHD-UHFFFAOYSA-N -1 3 388.430 3.858 20 5 GHBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1[O-] ZINC000804902537 883465727 /nfs/dbraw/zinc/46/57/27/883465727.db2.gz KGGPAKCUTQJSRP-UHFFFAOYSA-N -1 3 385.159 3.646 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3cccs3)n2)cc([N+](=O)[O-])c1 ZINC000609838504 883744360 /nfs/dbraw/zinc/74/43/60/883744360.db2.gz YTKAPGVIGPGHDV-UHFFFAOYSA-N -1 3 389.414 3.819 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533005450 889506002 /nfs/dbraw/zinc/50/60/02/889506002.db2.gz FZLBGUVTVMUAHV-UHFFFAOYSA-N -1 3 391.309 3.506 20 5 GHBDHM CN(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000811394840 889536397 /nfs/dbraw/zinc/53/63/97/889536397.db2.gz KMVIZDXSZNILDR-UHFFFAOYSA-N -1 3 393.808 3.611 20 5 GHBDHM O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000497831545 892546976 /nfs/dbraw/zinc/54/69/76/892546976.db2.gz JXMTWGVKXGUHJB-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM COc1ccc([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000565037763 895361862 /nfs/dbraw/zinc/36/18/62/895361862.db2.gz HDRRVQQPEKKWJP-IBGZPJMESA-N -1 3 385.420 3.551 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc2)CC1 ZINC001136363397 897454371 /nfs/dbraw/zinc/45/43/71/897454371.db2.gz XDXJULRFUSUTRN-IBGZPJMESA-N -1 3 383.448 3.503 20 5 GHBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901467394 921136695 /nfs/dbraw/zinc/13/66/95/921136695.db2.gz HRRYADLDQXRMJH-GOSISDBHSA-N -1 3 375.450 3.651 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c1 ZINC000779899941 909066543 /nfs/dbraw/zinc/06/65/43/909066543.db2.gz SZVROTFMGFHEBX-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM CCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001187208078 915117344 /nfs/dbraw/zinc/11/73/44/915117344.db2.gz FBWBZFWKXJFGHX-UHFFFAOYSA-N -1 3 389.260 3.943 20 5 GHBDHM C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001191844833 918261320 /nfs/dbraw/zinc/26/13/20/918261320.db2.gz FWBJWYPATTYSBR-JLTOFOAXSA-N -1 3 393.484 3.864 20 5 GHBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000467713610 929328650 /nfs/dbraw/zinc/32/86/50/929328650.db2.gz MVASQVILNBHDBL-UHFFFAOYSA-N -1 3 384.298 3.684 20 5 GHBDHM COc1ccc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC000559980938 932994619 /nfs/dbraw/zinc/99/46/19/932994619.db2.gz BWJTWTDAWZONRK-IERDGZPVSA-N -1 3 384.432 3.816 20 5 GHBDHM CCC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001595625578 981750637 /nfs/dbraw/zinc/75/06/37/981750637.db2.gz WYGQFPZWOKLWHB-HXUWFJFHSA-N -1 3 397.475 3.780 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3COc4c3cccc4Br)[n-]c2c1 ZINC001227743034 1032538897 /nfs/dbraw/zinc/53/88/97/1032538897.db2.gz GPXCTCZPCBWZOF-CYBMUJFWSA-N -1 3 376.166 3.746 20 5 GHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3COc4c3cccc4Br)nc2c1 ZINC001227743034 1032538901 /nfs/dbraw/zinc/53/89/01/1032538901.db2.gz GPXCTCZPCBWZOF-CYBMUJFWSA-N -1 3 376.166 3.746 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC001228686999 1033044396 /nfs/dbraw/zinc/04/43/96/1033044396.db2.gz SSYPEYXWWCPNTF-AWEZNQCLSA-N -1 3 393.440 3.562 20 5 GHBDHM O=c1cc(C(F)(F)F)[n-]c(OC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001228862815 1033144804 /nfs/dbraw/zinc/14/48/04/1033144804.db2.gz PCANVLJYDWJYSM-UHFFFAOYSA-N -1 3 397.353 3.758 20 5 GHBDHM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCN(Cc2ccccc2)CC1 ZINC001228862815 1033144813 /nfs/dbraw/zinc/14/48/13/1033144813.db2.gz PCANVLJYDWJYSM-UHFFFAOYSA-N -1 3 397.353 3.758 20 5 GHBDHM COc1ccc(CC(=O)Nc2c([O-])ccc(Br)c2C)cc1[N+](=O)[O-] ZINC001141437525 1025054096 /nfs/dbraw/zinc/05/40/96/1025054096.db2.gz UZCWMPIXTUVGDF-UHFFFAOYSA-N -1 3 395.209 3.561 20 5 GHBDHM COC(=O)c1ccnc([N-][C@H](c2ccccc2OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001162903232 1025960484 /nfs/dbraw/zinc/96/04/84/1025960484.db2.gz MMXTXCXMMQNKOQ-CYBMUJFWSA-N -1 3 385.298 3.501 20 5 GHBDHM O=c1[n-]ccc(N2CCc3c(Cl)ccc(Br)c3C2)c1[N+](=O)[O-] ZINC001164265053 1026469286 /nfs/dbraw/zinc/46/92/86/1026469286.db2.gz MZJYBBPZBRTHTK-UHFFFAOYSA-N -1 3 384.617 3.674 20 5 GHBDHM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001210583449 1027565343 /nfs/dbraw/zinc/56/53/43/1027565343.db2.gz WVQXWIYOFVAGLK-GJZGRUSLSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001211477085 1027978971 /nfs/dbraw/zinc/97/89/71/1027978971.db2.gz MJPUEIIGAJWZRN-CQSZACIVSA-N -1 3 380.388 3.693 20 5 GHBDHM C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225852041 1031651097 /nfs/dbraw/zinc/65/10/97/1031651097.db2.gz AJTWBFKNRIVMEY-ZCFIWIBFSA-N -1 3 389.311 3.561 20 5 GHBDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230884664 1034270747 /nfs/dbraw/zinc/27/07/47/1034270747.db2.gz GDAZABOIDJGYQU-MRVPVSSYSA-N -1 3 389.751 3.766 20 5 GHBDHM C[C@@H]1[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507666 1039398247 /nfs/dbraw/zinc/39/82/47/1039398247.db2.gz ZVPZSMAENTVWLA-OQPBUACISA-N -1 3 382.804 3.511 20 5 GHBDHM CC(C)Oc1ccc(-c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001256903321 1043731475 /nfs/dbraw/zinc/73/14/75/1043731475.db2.gz NLLDHTMJUVJBIO-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM CC(C)Oc1ccc(-c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001256903321 1043731486 /nfs/dbraw/zinc/73/14/86/1043731486.db2.gz NLLDHTMJUVJBIO-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293158 1043958991 /nfs/dbraw/zinc/95/89/91/1043958991.db2.gz ABONNKHKHKHLIW-ZJUUUORDSA-N -1 3 390.197 3.710 20 5 GHBDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293158 1043958995 /nfs/dbraw/zinc/95/89/95/1043958995.db2.gz ABONNKHKHKHLIW-ZJUUUORDSA-N -1 3 390.197 3.710 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001462862531 1070604858 /nfs/dbraw/zinc/60/48/58/1070604858.db2.gz ZUCBTFSKBVUUII-GFCCVEGCSA-N -1 3 389.458 3.758 20 5 GHBDHM COc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc1[N+](=O)[O-] ZINC001295474900 1045029248 /nfs/dbraw/zinc/02/92/48/1045029248.db2.gz JTQGVNZWDPKAHX-UHFFFAOYSA-N -1 3 395.371 3.541 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001304101414 1047586843 /nfs/dbraw/zinc/58/68/43/1047586843.db2.gz OXQFIAWBWKYWCF-UHFFFAOYSA-N -1 3 392.437 3.638 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001304101414 1047586850 /nfs/dbraw/zinc/58/68/50/1047586850.db2.gz OXQFIAWBWKYWCF-UHFFFAOYSA-N -1 3 392.437 3.638 20 5 GHBDHM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463282768 1070961290 /nfs/dbraw/zinc/96/12/90/1070961290.db2.gz SRRQHQYMKZALOG-INIZCTEOSA-N -1 3 396.440 3.808 20 5 GHBDHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306436518 1048664650 /nfs/dbraw/zinc/66/46/50/1048664650.db2.gz TWOIWTBYSDGWNM-UHFFFAOYSA-N -1 3 377.784 3.923 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1nc(C)cs1 ZINC001309168197 1050424085 /nfs/dbraw/zinc/42/40/85/1050424085.db2.gz WGLUHTJEWHSDPU-NSHDSACASA-N -1 3 389.886 3.751 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC001475251970 1057554339 /nfs/dbraw/zinc/55/43/39/1057554339.db2.gz FQLNIQLDYJKYGO-AULYBMBSSA-N -1 3 384.816 3.612 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])s1 ZINC001463653720 1064529230 /nfs/dbraw/zinc/52/92/30/1064529230.db2.gz XJISVZSVMLCEMG-UHFFFAOYSA-N -1 3 396.421 3.842 20 5 GHBDHM CCOc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[n-]1 ZINC001471300037 1073005296 /nfs/dbraw/zinc/00/52/96/1073005296.db2.gz GNOVRZQQDXTBRJ-UHFFFAOYSA-N -1 3 391.453 3.646 20 5 GHBDHM CCOc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[n-]1 ZINC001471300037 1073005298 /nfs/dbraw/zinc/00/52/98/1073005298.db2.gz GNOVRZQQDXTBRJ-UHFFFAOYSA-N -1 3 391.453 3.646 20 5 GHBDHM CCOc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 ZINC001471300037 1073005306 /nfs/dbraw/zinc/00/53/06/1073005306.db2.gz GNOVRZQQDXTBRJ-UHFFFAOYSA-N -1 3 391.453 3.646 20 5 GHBDHM Cc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cc([N+](=O)[O-])c1 ZINC001472375047 1073452231 /nfs/dbraw/zinc/45/22/31/1073452231.db2.gz UFNYLHKYCZQWGF-UHFFFAOYSA-N -1 3 379.372 3.841 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])s1 ZINC001475268532 1074813902 /nfs/dbraw/zinc/81/39/02/1074813902.db2.gz JKTMHOMPBMWAJM-GXTWGEPZSA-N -1 3 384.454 3.718 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC001475467736 1074886100 /nfs/dbraw/zinc/88/61/00/1074886100.db2.gz UGAWUTJIJAYBEA-OLZOCXBDSA-N -1 3 385.244 3.540 20 5 GHBDHM O=[N+]([O-])c1cccnc1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738370246 598854875 /nfs/dbraw/zinc/85/48/75/598854875.db2.gz SFPFUYSPJHQTGB-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822233634 599108665 /nfs/dbraw/zinc/10/86/65/599108665.db2.gz SFZHWSFXCQCZHO-APWZRJJASA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822233634 599108666 /nfs/dbraw/zinc/10/86/66/599108666.db2.gz SFZHWSFXCQCZHO-APWZRJJASA-N -1 3 394.435 3.663 20 5 GHBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735874159 599267598 /nfs/dbraw/zinc/26/75/98/599267598.db2.gz NRUKLOHQJFFVNN-UHFFFAOYSA-N -1 3 386.843 3.839 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000736369937 598814453 /nfs/dbraw/zinc/81/44/53/598814453.db2.gz PAZFNXDZOWZZDH-GFCCVEGCSA-N -1 3 390.350 3.940 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000736369937 598814455 /nfs/dbraw/zinc/81/44/55/598814455.db2.gz PAZFNXDZOWZZDH-GFCCVEGCSA-N -1 3 390.350 3.940 20 5 GHBDHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736197954 598814699 /nfs/dbraw/zinc/81/46/99/598814699.db2.gz FKRHIUQTNULEEA-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736197954 598814700 /nfs/dbraw/zinc/81/47/00/598814700.db2.gz FKRHIUQTNULEEA-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM Cc1ccccc1C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822355939 599486315 /nfs/dbraw/zinc/48/63/15/599486315.db2.gz CIUQKVSOOJTLDL-CYBMUJFWSA-N -1 3 389.419 3.675 20 5 GHBDHM Cc1ccccc1C[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822355939 599486317 /nfs/dbraw/zinc/48/63/17/599486317.db2.gz CIUQKVSOOJTLDL-CYBMUJFWSA-N -1 3 389.419 3.675 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4c3cccc4F)cc(-c3nnn[n-]3)c2c1 ZINC000823645584 599494632 /nfs/dbraw/zinc/49/46/32/599494632.db2.gz UHSRTIVXABMEBZ-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4c3cccc4F)cc(-c3nn[n-]n3)c2c1 ZINC000823645584 599494635 /nfs/dbraw/zinc/49/46/35/599494635.db2.gz UHSRTIVXABMEBZ-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820925333 599688286 /nfs/dbraw/zinc/68/82/86/599688286.db2.gz GUUTVRLGXCWSAY-QMMMGPOBSA-N -1 3 399.358 3.813 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820925333 599688287 /nfs/dbraw/zinc/68/82/87/599688287.db2.gz GUUTVRLGXCWSAY-QMMMGPOBSA-N -1 3 399.358 3.813 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644250 606448075 /nfs/dbraw/zinc/44/80/75/606448075.db2.gz HKJKTCXPMPBNKW-SFHVURJKSA-N -1 3 387.403 3.665 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644250 606448076 /nfs/dbraw/zinc/44/80/76/606448076.db2.gz HKJKTCXPMPBNKW-SFHVURJKSA-N -1 3 387.403 3.665 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1SCc1cccc(OC(F)F)c1 ZINC000823634204 606475116 /nfs/dbraw/zinc/47/51/16/606475116.db2.gz CVTIHDAIBFSAJJ-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1SCc1cccc(OC(F)F)c1 ZINC000823634204 606475118 /nfs/dbraw/zinc/47/51/18/606475118.db2.gz CVTIHDAIBFSAJJ-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000824065231 608160768 /nfs/dbraw/zinc/16/07/68/608160768.db2.gz WZJVIJVWIIROII-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000824065231 608160770 /nfs/dbraw/zinc/16/07/70/608160770.db2.gz WZJVIJVWIIROII-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826497370 608234697 /nfs/dbraw/zinc/23/46/97/608234697.db2.gz FERJRRAJSQAUCR-GOSISDBHSA-N -1 3 391.366 3.511 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826497370 608234699 /nfs/dbraw/zinc/23/46/99/608234699.db2.gz FERJRRAJSQAUCR-GOSISDBHSA-N -1 3 391.366 3.511 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000503062907 609505807 /nfs/dbraw/zinc/50/58/07/609505807.db2.gz SXGUHSQALDPOAL-UHFFFAOYSA-N -1 3 384.421 3.529 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000503062907 609505810 /nfs/dbraw/zinc/50/58/10/609505810.db2.gz SXGUHSQALDPOAL-UHFFFAOYSA-N -1 3 384.421 3.529 20 5 GHBDHM CSc1ccc([C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000514940510 834821314 /nfs/dbraw/zinc/82/13/14/834821314.db2.gz WVRCEXMZEJQLAQ-SFHVURJKSA-N -1 3 389.477 3.659 20 5 GHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629086 836320182 /nfs/dbraw/zinc/32/01/82/836320182.db2.gz BXKKHVFSUPAKJU-LJQANCHMSA-N -1 3 397.456 3.675 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)n1 ZINC000175819225 838138040 /nfs/dbraw/zinc/13/80/40/838138040.db2.gz KGVBJATUSNCMIE-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599470777 861221371 /nfs/dbraw/zinc/22/13/71/861221371.db2.gz WLIBFEPLORLTNY-WDEREUQCSA-N -1 3 392.380 3.510 20 5 GHBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178403085 843717401 /nfs/dbraw/zinc/71/74/01/843717401.db2.gz CAKCKVGFAYWGOC-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c(F)c1 ZINC000604028329 861636680 /nfs/dbraw/zinc/63/66/80/861636680.db2.gz VCOSCVFVDMUEQB-UHFFFAOYSA-N -1 3 378.425 3.739 20 5 GHBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000502890100 846583265 /nfs/dbraw/zinc/58/32/65/846583265.db2.gz UTTHXBHKPQHBFI-UHFFFAOYSA-N -1 3 399.353 3.519 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)cc1C ZINC000420733554 847393252 /nfs/dbraw/zinc/39/32/52/847393252.db2.gz ICEGANBTMIYVGL-CQSZACIVSA-N -1 3 384.404 3.886 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000503649951 847861630 /nfs/dbraw/zinc/86/16/30/847861630.db2.gz OEWXHPJTQOZGET-UHFFFAOYSA-N -1 3 389.371 3.903 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nccs1 ZINC000176721981 847948242 /nfs/dbraw/zinc/94/82/42/847948242.db2.gz BCTIQQAOUWTTSD-AWEZNQCLSA-N -1 3 389.886 3.617 20 5 GHBDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])oc21 ZINC000514688999 848927721 /nfs/dbraw/zinc/92/77/21/848927721.db2.gz CFFXZVVTYCBHGP-GFCCVEGCSA-N -1 3 390.417 3.779 20 5 GHBDHM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000437925683 850174203 /nfs/dbraw/zinc/17/42/03/850174203.db2.gz KGAJJNDHQRSIOQ-UHFFFAOYSA-N -1 3 378.357 3.829 20 5 GHBDHM Cc1cc(NC[C@H](c2ccc(Cl)cc2)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910373639 851163470 /nfs/dbraw/zinc/16/34/70/851163470.db2.gz PQRQMENZHXREBT-MRXNPFEDSA-N -1 3 377.828 3.970 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1Cl ZINC000604473714 862216559 /nfs/dbraw/zinc/21/65/59/862216559.db2.gz URRMNGFBULGBKM-UHFFFAOYSA-N -1 3 375.233 3.689 20 5 GHBDHM CC(C)N1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000550075068 851397174 /nfs/dbraw/zinc/39/71/74/851397174.db2.gz LYCMUFVWOLHUCM-UYAOXDASSA-N -1 3 391.418 3.892 20 5 GHBDHM COC(=O)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc([N+](=O)[O-])c1 ZINC000436605932 852105103 /nfs/dbraw/zinc/10/51/03/852105103.db2.gz GQKGXAJXBGSRFQ-UHFFFAOYSA-N -1 3 391.339 3.957 20 5 GHBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473844885 852248474 /nfs/dbraw/zinc/24/84/74/852248474.db2.gz DKSDCOGTABLZLR-SFHVURJKSA-N -1 3 394.387 3.636 20 5 GHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccsc2)n1 ZINC000426798353 852408601 /nfs/dbraw/zinc/40/86/01/852408601.db2.gz DYGDMPBTTFZNIV-HNNXBMFYSA-N -1 3 389.458 3.565 20 5 GHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(-c2ccsc2)n1 ZINC000426819755 852431083 /nfs/dbraw/zinc/43/10/83/852431083.db2.gz WHLGRYVRFPUDOY-AWEZNQCLSA-N -1 3 389.458 3.565 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000436933096 852515703 /nfs/dbraw/zinc/51/57/03/852515703.db2.gz BBMJBEJEZUIBAN-UHFFFAOYSA-N -1 3 392.415 3.565 20 5 GHBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n[nH]2)cc1 ZINC000556048841 862491081 /nfs/dbraw/zinc/49/10/81/862491081.db2.gz QIZLHKLEKXDAPD-UHFFFAOYSA-N -1 3 391.309 3.959 20 5 GHBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000427604836 855788997 /nfs/dbraw/zinc/78/89/97/855788997.db2.gz SRUPHWFDMXMADX-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c2ncccc12 ZINC000184768524 855802769 /nfs/dbraw/zinc/80/27/69/855802769.db2.gz OPLUFLYEMNZCCE-UHFFFAOYSA-N -1 3 381.772 3.736 20 5 GHBDHM COc1ccc([C@@H](C)CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000427983925 856974107 /nfs/dbraw/zinc/97/41/07/856974107.db2.gz NBPLRVIBXNYNPU-ZDUSSCGKSA-N -1 3 380.404 3.548 20 5 GHBDHM CSc1cccc(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)c1[N+](=O)[O-] ZINC000486216154 857560386 /nfs/dbraw/zinc/56/03/86/857560386.db2.gz BHQWJMRTJYMFGD-UHFFFAOYSA-N -1 3 391.359 3.632 20 5 GHBDHM O=c1[n-]ccc(NCC2(c3ccc(Br)cc3)CCC2)c1[N+](=O)[O-] ZINC000596086516 858778549 /nfs/dbraw/zinc/77/85/49/858778549.db2.gz COZWHRQAHHAPAT-UHFFFAOYSA-N -1 3 378.226 3.992 20 5 GHBDHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000544557681 860824388 /nfs/dbraw/zinc/82/43/88/860824388.db2.gz GPBSWCZPLZGLDU-SECBINFHSA-N -1 3 390.321 3.566 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1csc2ccccc21 ZINC000730018380 860841595 /nfs/dbraw/zinc/84/15/95/860841595.db2.gz RUOCLUJTWJMXAR-SNVBAGLBSA-N -1 3 380.422 3.988 20 5 GHBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1[O-] ZINC000603626648 860931381 /nfs/dbraw/zinc/93/13/81/860931381.db2.gz PFJQLUNYLHTEHM-UHFFFAOYSA-N -1 3 394.225 3.894 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000603640218 860968506 /nfs/dbraw/zinc/96/85/06/860968506.db2.gz RVMUHRBPNMEHDN-CQSZACIVSA-N -1 3 384.841 3.686 20 5 GHBDHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185695063 861017390 /nfs/dbraw/zinc/01/73/90/861017390.db2.gz SIEOGWFXHYWYME-UHFFFAOYSA-N -1 3 389.767 3.958 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)Nc3cccnc3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000428330178 863536711 /nfs/dbraw/zinc/53/67/11/863536711.db2.gz OMFQQNHGNKZKOA-UHFFFAOYSA-N -1 3 394.387 3.568 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)oc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000184926647 865052801 /nfs/dbraw/zinc/05/28/01/865052801.db2.gz XOAISBCNFUCRMB-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000737239552 865380495 /nfs/dbraw/zinc/38/04/95/865380495.db2.gz DFUMLMGLQMVNQU-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000737239552 865380510 /nfs/dbraw/zinc/38/05/10/865380510.db2.gz DFUMLMGLQMVNQU-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000183520779 866808400 /nfs/dbraw/zinc/80/84/00/866808400.db2.gz DJKVFQYVONVOHR-MRVPVSSYSA-N -1 3 383.173 3.944 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1C ZINC000523458619 867338285 /nfs/dbraw/zinc/33/82/85/867338285.db2.gz OYZGARXOKJJPTA-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030275 870884459 /nfs/dbraw/zinc/88/44/59/870884459.db2.gz UTXWQQSOLADMRT-RYUDHWBXSA-N -1 3 398.428 3.566 20 5 GHBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)c1cccc(Cl)c1 ZINC000769600908 874187316 /nfs/dbraw/zinc/18/73/16/874187316.db2.gz AHINZQHKAXZZMR-UHFFFAOYSA-N -1 3 380.738 3.533 20 5 GHBDHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029971060 875760641 /nfs/dbraw/zinc/76/06/41/875760641.db2.gz UTHACLGNPLQYJP-NSHDSACASA-N -1 3 384.841 3.686 20 5 GHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790837354 880034817 /nfs/dbraw/zinc/03/48/17/880034817.db2.gz YYHWCVTYKHTSFF-NSHDSACASA-N -1 3 399.450 3.529 20 5 GHBDHM O=C1[N-]C(=O)/C(=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000112770431 880144318 /nfs/dbraw/zinc/14/43/18/880144318.db2.gz FOCXWCUDFIWLEY-SXGWCWSVSA-N -1 3 377.381 3.529 20 5 GHBDHM CCCCc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000792554208 881185772 /nfs/dbraw/zinc/18/57/72/881185772.db2.gz YXNNWVIEQCAYKO-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM CCOC(=O)/C(=C\c1cc([O-])cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000811691129 889898631 /nfs/dbraw/zinc/89/86/31/889898631.db2.gz KVVYNLYIPSEWCS-AUWJEWJLSA-N -1 3 382.294 3.818 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1Cl ZINC000811831780 890015952 /nfs/dbraw/zinc/01/59/52/890015952.db2.gz GYVWWBXCWOYUSZ-UHFFFAOYSA-N -1 3 396.730 3.948 20 5 GHBDHM O=C([N-]Cc1nc(-c2ccncc2)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778255134 893724349 /nfs/dbraw/zinc/72/43/49/893724349.db2.gz RXOUMLMWRJGXAF-UHFFFAOYSA-N -1 3 390.371 3.522 20 5 GHBDHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126659482 893766148 /nfs/dbraw/zinc/76/61/48/893766148.db2.gz AOUDARWALMUBAX-UHFFFAOYSA-N -1 3 396.153 3.532 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000476100110 895186218 /nfs/dbraw/zinc/18/62/18/895186218.db2.gz CGYVPFDOIZLMQW-UHFFFAOYSA-N -1 3 395.371 3.906 20 5 GHBDHM Cc1ccnc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000826314675 897504235 /nfs/dbraw/zinc/50/42/35/897504235.db2.gz ILQDEPPQLOOJFX-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1ccnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000826314675 897504242 /nfs/dbraw/zinc/50/42/42/897504242.db2.gz ILQDEPPQLOOJFX-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000800150194 898667895 /nfs/dbraw/zinc/66/78/95/898667895.db2.gz FUTVDPGUDXIBML-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM COc1ccccc1[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCCC1 ZINC000569813488 898964913 /nfs/dbraw/zinc/96/49/13/898964913.db2.gz HSGQWHWYZSPMGX-SFHVURJKSA-N -1 3 385.420 3.551 20 5 GHBDHM C[C@H]1CCCN(Cc2csc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])n2)C1 ZINC000601010823 903225492 /nfs/dbraw/zinc/22/54/92/903225492.db2.gz PBJDLPYCIIJVIH-NSHDSACASA-N -1 3 378.429 3.675 20 5 GHBDHM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844407 903719907 /nfs/dbraw/zinc/71/99/07/903719907.db2.gz RYLBIOUJXXONFH-UHFFFAOYSA-N -1 3 382.254 3.619 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC001212935745 911769562 /nfs/dbraw/zinc/76/95/62/911769562.db2.gz KMRYTDXRZVVEPK-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212937001 911784504 /nfs/dbraw/zinc/78/45/04/911784504.db2.gz IVQCLIONRRSIDL-UHFFFAOYSA-N -1 3 386.327 3.509 20 5 GHBDHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC001188522802 916004725 /nfs/dbraw/zinc/00/47/25/916004725.db2.gz KOCJSYLNKOUQAK-QGZVFWFLSA-N -1 3 380.853 3.778 20 5 GHBDHM CCc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001188687730 916112576 /nfs/dbraw/zinc/11/25/76/916112576.db2.gz CKMCULYEIHNMLL-CYBMUJFWSA-N -1 3 382.404 3.803 20 5 GHBDHM CCc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001188687731 916112687 /nfs/dbraw/zinc/11/26/87/916112687.db2.gz CKMCULYEIHNMLL-ZDUSSCGKSA-N -1 3 382.404 3.803 20 5 GHBDHM CCN(CC)c1ccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)cc1 ZINC001212973144 916166030 /nfs/dbraw/zinc/16/60/30/916166030.db2.gz SHCKERFFGWLNSH-UHFFFAOYSA-N -1 3 396.329 3.900 20 5 GHBDHM C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001191844834 918261275 /nfs/dbraw/zinc/26/12/75/918261275.db2.gz FWBJWYPATTYSBR-VBKZILBWSA-N -1 3 393.484 3.864 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CC1(Cl)Cl ZINC001191977641 918350444 /nfs/dbraw/zinc/35/04/44/918350444.db2.gz VOKSSOGUCLINAE-QMMMGPOBSA-N -1 3 387.672 3.501 20 5 GHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000751985135 928530754 /nfs/dbraw/zinc/53/07/54/928530754.db2.gz AYTDRKLGWOXGNA-JTQLQIEISA-N -1 3 399.812 3.504 20 5 GHBDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001573881736 950753517 /nfs/dbraw/zinc/75/35/17/950753517.db2.gz GPBSUTMEQUVYEC-UHFFFAOYSA-N -1 3 388.815 3.700 20 5 GHBDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001573881736 950753541 /nfs/dbraw/zinc/75/35/41/950753541.db2.gz GPBSUTMEQUVYEC-UHFFFAOYSA-N -1 3 388.815 3.700 20 5 GHBDHM CCC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001595625576 981750184 /nfs/dbraw/zinc/75/01/84/981750184.db2.gz WYGQFPZWOKLWHB-FQEVSTJZSA-N -1 3 397.475 3.780 20 5 GHBDHM CCCN(Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595888579 982918083 /nfs/dbraw/zinc/91/80/83/982918083.db2.gz OPIMKPZKTGBSFD-UHFFFAOYSA-N -1 3 376.384 3.610 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c([O-])c1 ZINC000545843437 1016502776 /nfs/dbraw/zinc/50/27/76/1016502776.db2.gz SFNMEWSHCNDGSF-UHFFFAOYSA-N -1 3 390.367 3.533 20 5 GHBDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000470606404 1016833115 /nfs/dbraw/zinc/83/31/15/1016833115.db2.gz MQMJHVPZHIFBAZ-UHFFFAOYSA-N -1 3 380.809 3.781 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743453 1032539609 /nfs/dbraw/zinc/53/96/09/1032539609.db2.gz PNTDWUIDKUZRJH-HNNXBMFYSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743453 1032539617 /nfs/dbraw/zinc/53/96/17/1032539617.db2.gz PNTDWUIDKUZRJH-HNNXBMFYSA-N -1 3 388.424 3.640 20 5 GHBDHM O=C([N-][C@H]1CCOc2c(Cl)cccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777957192 1017926587 /nfs/dbraw/zinc/92/65/87/1017926587.db2.gz SGFWRFSWJJCCQW-AWEZNQCLSA-N -1 3 382.750 3.980 20 5 GHBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989656 1032824528 /nfs/dbraw/zinc/82/45/28/1032824528.db2.gz ATTAYFLATDDRMC-UHFFFAOYSA-N -1 3 390.350 3.786 20 5 GHBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989656 1032824541 /nfs/dbraw/zinc/82/45/41/1032824541.db2.gz ATTAYFLATDDRMC-UHFFFAOYSA-N -1 3 390.350 3.786 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cc([N+](=O)[O-])c1C ZINC000191457917 1020767865 /nfs/dbraw/zinc/76/78/65/1020767865.db2.gz KLCQLDPIUGMYDM-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM Cc1cc2[n-]c(OC3CCN(C(=O)c4ccc(F)cc4)CC3)nc2cc1[N+](=O)[O-] ZINC001228675707 1033038422 /nfs/dbraw/zinc/03/84/22/1033038422.db2.gz SNAVWGFOFJDIPX-UHFFFAOYSA-N -1 3 398.394 3.602 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001228689661 1033047616 /nfs/dbraw/zinc/04/76/16/1033047616.db2.gz VNWRJMMRAJYIAL-LBPRGKRZSA-N -1 3 381.429 3.561 20 5 GHBDHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001210583451 1027564965 /nfs/dbraw/zinc/56/49/65/1027564965.db2.gz WVQXWIYOFVAGLK-HUUCEWRRSA-N -1 3 390.889 3.510 20 5 GHBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC001211404757 1027944151 /nfs/dbraw/zinc/94/41/51/1027944151.db2.gz UTOUTKXVAIJKMH-GOSISDBHSA-N -1 3 394.880 3.821 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])s1 ZINC001213698162 1028337167 /nfs/dbraw/zinc/33/71/67/1028337167.db2.gz NEXBLHPSCGRKMD-GFCCVEGCSA-N -1 3 384.479 3.791 20 5 GHBDHM COC(=O)c1ccc2[n-]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)nc2c1 ZINC001226258492 1031882903 /nfs/dbraw/zinc/88/29/03/1031882903.db2.gz PSRSDARWNAJCAX-CQSZACIVSA-N -1 3 395.293 3.940 20 5 GHBDHM O=c1nc2c(c(O[C@@H](c3ccccc3)c3ccccc3[N+](=O)[O-])[n-]1)SCC2 ZINC001230791385 1034226384 /nfs/dbraw/zinc/22/63/84/1034226384.db2.gz CBNDWMBOYXFBII-INIZCTEOSA-N -1 3 381.413 3.907 20 5 GHBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001462813149 1070564581 /nfs/dbraw/zinc/56/45/81/1070564581.db2.gz GBWFACLJRCTIGA-GXFFZTMASA-N -1 3 380.388 3.861 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])nc21 ZINC001463316622 1070983726 /nfs/dbraw/zinc/98/37/26/1070983726.db2.gz UQTWZQUUQDAWBM-UHFFFAOYSA-N -1 3 388.767 3.554 20 5 GHBDHM COc1c([O-])ccc(CN2CCCC[C@@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC001308626156 1050038141 /nfs/dbraw/zinc/03/81/41/1050038141.db2.gz BPFHUAIXQVAJFK-CYBMUJFWSA-N -1 3 376.413 3.543 20 5 GHBDHM COc1c([O-])ccc(CN2CCn3c(cc4c3cccc4Cl)C2)c1[N+](=O)[O-] ZINC001308727763 1050073116 /nfs/dbraw/zinc/07/31/16/1050073116.db2.gz XKQYIEIUTVQYGQ-UHFFFAOYSA-N -1 3 387.823 3.933 20 5 GHBDHM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475282014 1050204191 /nfs/dbraw/zinc/20/41/91/1050204191.db2.gz LFRNMLVXEDMCHQ-UWVGGRQHSA-N -1 3 380.388 3.717 20 5 GHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C(F)(F)F)o1 ZINC001309627846 1050877078 /nfs/dbraw/zinc/87/70/78/1050877078.db2.gz DYQIMUGTSGHTHW-AWEZNQCLSA-N -1 3 392.355 3.695 20 5 GHBDHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001463532829 1064441519 /nfs/dbraw/zinc/44/15/19/1064441519.db2.gz MWTAVFJKSDVOOR-SNVBAGLBSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001353710465 1066190008 /nfs/dbraw/zinc/19/00/08/1066190008.db2.gz ZPTBEPBQNWCMMZ-UHFFFAOYSA-N -1 3 385.254 3.804 20 5 GHBDHM C[C@@H]1C[C@H]1[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667594 599054545 /nfs/dbraw/zinc/05/45/45/599054545.db2.gz MVFBQQWGQSMMMC-XXLQHYSLSA-N -1 3 385.815 3.633 20 5 GHBDHM C[C@@H]1C[C@H]1[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667594 599054548 /nfs/dbraw/zinc/05/45/48/599054548.db2.gz MVFBQQWGQSMMMC-XXLQHYSLSA-N -1 3 385.815 3.633 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233982 599108572 /nfs/dbraw/zinc/10/85/72/599108572.db2.gz ZDIQAIKCXVACBW-HNAYVOBHSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233982 599108574 /nfs/dbraw/zinc/10/85/74/599108574.db2.gz ZDIQAIKCXVACBW-HNAYVOBHSA-N -1 3 394.435 3.663 20 5 GHBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2ccccc2c2cccnc12 ZINC000738101619 598302632 /nfs/dbraw/zinc/30/26/32/598302632.db2.gz KGFXNFLGLIYVQH-UHFFFAOYSA-N -1 3 398.401 3.637 20 5 GHBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2c2cccnc12 ZINC000738101619 598302635 /nfs/dbraw/zinc/30/26/35/598302635.db2.gz KGFXNFLGLIYVQH-UHFFFAOYSA-N -1 3 398.401 3.637 20 5 GHBDHM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821778414 599503359 /nfs/dbraw/zinc/50/33/59/599503359.db2.gz ZQSHXOWBSOQOAJ-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821778414 599503362 /nfs/dbraw/zinc/50/33/62/599503362.db2.gz ZQSHXOWBSOQOAJ-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM CC(C)(C)C1=CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824072171 607966835 /nfs/dbraw/zinc/96/68/35/607966835.db2.gz SFIQWWITRVRUAO-UHFFFAOYSA-N -1 3 379.424 3.506 20 5 GHBDHM CC(C)(C)C1=CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824072171 607966836 /nfs/dbraw/zinc/96/68/36/607966836.db2.gz SFIQWWITRVRUAO-UHFFFAOYSA-N -1 3 379.424 3.506 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3Cl)co2)cc1 ZINC000826498446 608023299 /nfs/dbraw/zinc/02/32/99/608023299.db2.gz VEFNUSXLNLLCLS-UHFFFAOYSA-N -1 3 398.766 3.662 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3Cl)co2)cc1 ZINC000826498446 608023300 /nfs/dbraw/zinc/02/33/00/608023300.db2.gz VEFNUSXLNLLCLS-UHFFFAOYSA-N -1 3 398.766 3.662 20 5 GHBDHM Cc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826263103 608160631 /nfs/dbraw/zinc/16/06/31/608160631.db2.gz LMMJPVNZRXYELO-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM Cc1cc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826263103 608160634 /nfs/dbraw/zinc/16/06/34/608160634.db2.gz LMMJPVNZRXYELO-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824385530 608162961 /nfs/dbraw/zinc/16/29/61/608162961.db2.gz WGKMBQNYHQPZQH-JTQLQIEISA-N -1 3 392.847 3.973 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000824385530 608162963 /nfs/dbraw/zinc/16/29/63/608162963.db2.gz WGKMBQNYHQPZQH-JTQLQIEISA-N -1 3 392.847 3.973 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccncc2)cc1 ZINC000826498477 608878593 /nfs/dbraw/zinc/87/85/93/608878593.db2.gz WOYVTVUVBXHCIZ-BOPFTXTBSA-N -1 3 388.362 3.898 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccncc2)cc1 ZINC000826498477 608878596 /nfs/dbraw/zinc/87/85/96/608878596.db2.gz WOYVTVUVBXHCIZ-BOPFTXTBSA-N -1 3 388.362 3.898 20 5 GHBDHM Cc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C(F)(F)F)o1 ZINC000274552379 834401143 /nfs/dbraw/zinc/40/11/43/834401143.db2.gz WVBLVAYARMAGRG-UHFFFAOYSA-N -1 3 386.282 3.929 20 5 GHBDHM CSc1ccc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC000472908607 838171394 /nfs/dbraw/zinc/17/13/94/838171394.db2.gz UIAVMMQFGZUXKV-UHFFFAOYSA-N -1 3 388.430 3.793 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ncccc2C)C(C)C)c1C ZINC000480990239 838392225 /nfs/dbraw/zinc/39/22/25/838392225.db2.gz OZDUEKFQJYQWNA-INIZCTEOSA-N -1 3 377.466 3.591 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000103420747 838404588 /nfs/dbraw/zinc/40/45/88/838404588.db2.gz JCGBDGPHNMWVHN-UHFFFAOYSA-N -1 3 376.438 3.830 20 5 GHBDHM COc1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])sc1Br ZINC000120260965 839494597 /nfs/dbraw/zinc/49/45/97/839494597.db2.gz QJSWCYFWPCZJMN-UHFFFAOYSA-N -1 3 387.211 3.688 20 5 GHBDHM COc1cccc(Cc2nnc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])s2)c1 ZINC000107177919 841206510 /nfs/dbraw/zinc/20/65/10/841206510.db2.gz GSGKYPFMEKEUFF-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM CC1CCN([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000566621385 841722410 /nfs/dbraw/zinc/72/24/10/841722410.db2.gz DPFPWCRHKHVLJX-HNNXBMFYSA-N -1 3 390.465 3.635 20 5 GHBDHM O=C([N-]c1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000112265013 842281931 /nfs/dbraw/zinc/28/19/31/842281931.db2.gz RUCOPTUXPMTOBR-UHFFFAOYSA-N -1 3 381.373 3.749 20 5 GHBDHM Cc1ncc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000544180687 845230892 /nfs/dbraw/zinc/23/08/92/845230892.db2.gz LEWWOXIBSVZRIL-UHFFFAOYSA-N -1 3 384.367 3.620 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000604038065 861618637 /nfs/dbraw/zinc/61/86/37/861618637.db2.gz BOKPFDGRMMEWCH-UHFFFAOYSA-N -1 3 386.882 3.667 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000518967101 850420167 /nfs/dbraw/zinc/42/01/67/850420167.db2.gz ALQZZOBZSUYNDA-HUUCEWRRSA-N -1 3 380.853 3.863 20 5 GHBDHM O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439871580 850520670 /nfs/dbraw/zinc/52/06/70/850520670.db2.gz JYWATTLSBATYQZ-UHFFFAOYSA-N -1 3 379.372 3.665 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000604403207 862143437 /nfs/dbraw/zinc/14/34/37/862143437.db2.gz VELLXORERBPDAK-AWEZNQCLSA-N -1 3 375.450 3.611 20 5 GHBDHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000515711370 851366637 /nfs/dbraw/zinc/36/66/37/851366637.db2.gz XAHCGNRPZVOVHT-UHFFFAOYSA-N -1 3 386.429 3.544 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000436563573 852067077 /nfs/dbraw/zinc/06/70/77/852067077.db2.gz DSRAEEHSSMWYCL-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ncsc1-c1ccccc1 ZINC000438659038 852674028 /nfs/dbraw/zinc/67/40/28/852674028.db2.gz XYEWTUWNPDYPEJ-UHFFFAOYSA-N -1 3 391.412 3.783 20 5 GHBDHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c[nH]c2c1 ZINC000485864334 857150672 /nfs/dbraw/zinc/15/06/72/857150672.db2.gz QJNGPGBSPDUIDT-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000544626984 858563348 /nfs/dbraw/zinc/56/33/48/858563348.db2.gz XFSLFMIIXJHMNP-UHFFFAOYSA-N -1 3 389.477 3.921 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000601687537 859459265 /nfs/dbraw/zinc/45/92/65/859459265.db2.gz DGIVZSKYTXMXHU-UHFFFAOYSA-N -1 3 382.270 3.661 20 5 GHBDHM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000124357801 860337572 /nfs/dbraw/zinc/33/75/72/860337572.db2.gz KHESQOUGRZVVDV-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000593733452 861081320 /nfs/dbraw/zinc/08/13/20/861081320.db2.gz ULWLVDCYHYPOJM-CQSZACIVSA-N -1 3 381.388 3.814 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC000593736655 861109792 /nfs/dbraw/zinc/10/97/92/861109792.db2.gz QQBLGLOKOJYSCZ-UHFFFAOYSA-N -1 3 384.432 3.722 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000744217975 868672887 /nfs/dbraw/zinc/67/28/87/868672887.db2.gz UNAQVNVNJXLTGO-UHFFFAOYSA-N -1 3 397.412 3.764 20 5 GHBDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000446763134 870357672 /nfs/dbraw/zinc/35/76/72/870357672.db2.gz UFWVWFFRFAXKEM-UHFFFAOYSA-N -1 3 391.232 3.852 20 5 GHBDHM CSc1ccc(O[C@@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000525391317 870591008 /nfs/dbraw/zinc/59/10/08/870591008.db2.gz GQWDODSJORYKDW-LBPRGKRZSA-N -1 3 398.444 3.535 20 5 GHBDHM CC(C)Oc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccn1 ZINC000618695136 871863276 /nfs/dbraw/zinc/86/32/76/871863276.db2.gz MHMXOZYDYAJWTH-UHFFFAOYSA-N -1 3 386.227 3.853 20 5 GHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(I)c1 ZINC001201223275 875585103 /nfs/dbraw/zinc/58/51/03/875585103.db2.gz VZZLXPXHAOWSFN-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2sccc2c([O-])c1 ZINC000786140414 876469357 /nfs/dbraw/zinc/46/93/57/876469357.db2.gz PFFNYNAAKDPECO-UHFFFAOYSA-N -1 3 397.368 3.922 20 5 GHBDHM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000461106222 879181516 /nfs/dbraw/zinc/18/15/16/879181516.db2.gz FPFWUICMRNSKLX-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000448458391 879517711 /nfs/dbraw/zinc/51/77/11/879517711.db2.gz XMJJOASNLMWWEN-UHFFFAOYSA-N -1 3 382.254 3.817 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc([N+](=O)[O-])ccc1Cl ZINC000790646236 879913237 /nfs/dbraw/zinc/91/32/37/879913237.db2.gz KXOLXVUKPZKISP-UHFFFAOYSA-N -1 3 393.739 3.570 20 5 GHBDHM O=C([N-]c1nccc(Br)c1Cl)c1cc(F)c([N+](=O)[O-])cc1F ZINC001130424183 884182083 /nfs/dbraw/zinc/18/20/83/884182083.db2.gz IXKBOOPCJUCMDO-UHFFFAOYSA-N -1 3 392.543 3.936 20 5 GHBDHM CCOc1ccc(-c2csc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])n2)cc1 ZINC000191543681 885334990 /nfs/dbraw/zinc/33/49/90/885334990.db2.gz TYYQZGKOWGTRCM-UHFFFAOYSA-N -1 3 387.421 3.586 20 5 GHBDHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000812791342 890968154 /nfs/dbraw/zinc/96/81/54/890968154.db2.gz NQRKEWNNLAVYKF-UHFFFAOYSA-N -1 3 392.415 3.590 20 5 GHBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001212101849 892061624 /nfs/dbraw/zinc/06/16/24/892061624.db2.gz HBGMXLTWCQERHS-YOEHRIQHSA-N -1 3 394.880 3.966 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])nc21 ZINC001134753238 893289254 /nfs/dbraw/zinc/28/92/54/893289254.db2.gz IBDVZMNXHRDUNX-UHFFFAOYSA-N -1 3 396.403 3.564 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000800051517 898537416 /nfs/dbraw/zinc/53/74/16/898537416.db2.gz MPCCJUYJQLDKQT-UHFFFAOYSA-N -1 3 380.397 3.557 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c1 ZINC000800146706 898663232 /nfs/dbraw/zinc/66/32/32/898663232.db2.gz GKHVFRSOBSTAKS-JTQLQIEISA-N -1 3 382.816 3.660 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000800151278 898669407 /nfs/dbraw/zinc/66/94/07/898669407.db2.gz IRYXARCHIVBVEC-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576230169 901845148 /nfs/dbraw/zinc/84/51/48/901845148.db2.gz RJMZYXRMTFGELE-UHFFFAOYSA-N -1 3 383.448 3.702 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cc(F)cc(Cl)c3)no2)c1Br ZINC001212837447 903529186 /nfs/dbraw/zinc/52/91/86/903529186.db2.gz LLSIZYIYPNHPTN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cc(F)cc(Cl)c3)no2)c1Br ZINC001212837447 903529193 /nfs/dbraw/zinc/52/91/93/903529193.db2.gz LLSIZYIYPNHPTN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=C(c1ccccc1)c1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212844156 903686997 /nfs/dbraw/zinc/68/69/97/903686997.db2.gz LKSFPKRAEQMOGC-UHFFFAOYSA-N -1 3 388.339 3.643 20 5 GHBDHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147618564 903840420 /nfs/dbraw/zinc/84/04/20/903840420.db2.gz YOXRNGUNLGZGII-UHFFFAOYSA-N -1 3 380.735 3.720 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccc(Cl)s3)C2)c1[N+](=O)[O-] ZINC001180164675 910000971 /nfs/dbraw/zinc/00/09/71/910000971.db2.gz AFGWMYAYHOJXAZ-LBPRGKRZSA-N -1 3 384.841 3.597 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000270702863 910667481 /nfs/dbraw/zinc/66/74/81/910667481.db2.gz MIVLVBHARZSHDT-UHFFFAOYSA-N -1 3 396.494 3.735 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001187897768 915583598 /nfs/dbraw/zinc/58/35/98/915583598.db2.gz SCDKEFKWZXHUBH-CYBMUJFWSA-N -1 3 380.445 3.535 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(c2ccccc2)CCCC1 ZINC001189333843 916562108 /nfs/dbraw/zinc/56/21/08/916562108.db2.gz WYXAJJKVJMKPBG-CQSZACIVSA-N -1 3 392.452 3.913 20 5 GHBDHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000803636690 923111377 /nfs/dbraw/zinc/11/13/77/923111377.db2.gz DFQBHYWKIMXMLL-UHFFFAOYSA-N -1 3 395.213 3.537 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000798243765 932574512 /nfs/dbraw/zinc/57/45/12/932574512.db2.gz VGPMCAWOYGBUBA-UHFFFAOYSA-N -1 3 394.343 3.826 20 5 GHBDHM COc1ccc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC000559980936 932994799 /nfs/dbraw/zinc/99/47/99/932994799.db2.gz BWJTWTDAWZONRK-HRAATJIYSA-N -1 3 384.432 3.816 20 5 GHBDHM CC(C)c1cccc2c1CCN(c1cc(F)c(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001574419898 948789798 /nfs/dbraw/zinc/78/97/98/948789798.db2.gz LFSBQNGNRVSJGT-UHFFFAOYSA-N -1 3 382.399 3.600 20 5 GHBDHM CC(C)c1cccc2c1CCN(c1cc(F)c(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001574419898 948789808 /nfs/dbraw/zinc/78/98/08/948789808.db2.gz LFSBQNGNRVSJGT-UHFFFAOYSA-N -1 3 382.399 3.600 20 5 GHBDHM C[C@]1(c2ccccc2)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001575856502 949249671 /nfs/dbraw/zinc/24/96/71/949249671.db2.gz GLOGZKIYHMEECA-FQEVSTJZSA-N -1 3 396.426 3.862 20 5 GHBDHM C[C@]1(c2ccccc2)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001575856502 949249687 /nfs/dbraw/zinc/24/96/87/949249687.db2.gz GLOGZKIYHMEECA-FQEVSTJZSA-N -1 3 396.426 3.862 20 5 GHBDHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000901984002 980664434 /nfs/dbraw/zinc/66/44/34/980664434.db2.gz XRCOQXNMYBUCNX-GFCCVEGCSA-N -1 3 396.852 3.900 20 5 GHBDHM CCOc1cc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC001597035397 986470637 /nfs/dbraw/zinc/47/06/37/986470637.db2.gz JYADIKDLUHAWRN-SZNDQCEHSA-N -1 3 384.432 3.961 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001598507877 992530163 /nfs/dbraw/zinc/53/01/63/992530163.db2.gz WBXIRBONQLMVON-MJGOQNOKSA-N -1 3 388.395 3.784 20 5 GHBDHM C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594388118 999468862 /nfs/dbraw/zinc/46/88/62/999468862.db2.gz IAOYJMLHFYLRJC-LHSJRXKWSA-N -1 3 384.432 3.862 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228684925 1033043006 /nfs/dbraw/zinc/04/30/06/1033043006.db2.gz BRVBKISPGCKZKE-IFXJQAMLSA-N -1 3 393.440 3.562 20 5 GHBDHM CCOC(=O)C1CCN(Cc2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001210397633 1027487641 /nfs/dbraw/zinc/48/76/41/1027487641.db2.gz ATWMIWLIFLPXBW-UHFFFAOYSA-N -1 3 399.447 3.819 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2F)c1C ZINC001213506797 1028232118 /nfs/dbraw/zinc/23/21/18/1028232118.db2.gz IIPUIHSPYVAFAQ-NVXWUHKLSA-N -1 3 378.425 3.516 20 5 GHBDHM O=C1[N-]c2c(cccc2-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1=O ZINC001217354276 1030330358 /nfs/dbraw/zinc/33/03/58/1030330358.db2.gz CCQMTGPVVMFHFG-UHFFFAOYSA-N -1 3 393.362 3.635 20 5 GHBDHM Nc1c(Cl)cc(C(=O)Nc2cc([O-])cc(Br)c2)cc1[N+](=O)[O-] ZINC001157901684 1033817030 /nfs/dbraw/zinc/81/70/30/1033817030.db2.gz CRPMVCVPXPMAPD-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001209694723 1035358456 /nfs/dbraw/zinc/35/84/56/1035358456.db2.gz VSYHYOMXDBQWNA-CKYFFXLPSA-N -1 3 380.388 3.717 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001248001023 1038532711 /nfs/dbraw/zinc/53/27/11/1038532711.db2.gz XBHRUCHVTUVKSQ-UHFFFAOYSA-N -1 3 378.266 3.916 20 5 GHBDHM C[C@@H]1[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507664 1039398736 /nfs/dbraw/zinc/39/87/36/1039398736.db2.gz ZVPZSMAENTVWLA-AMIZOPFISA-N -1 3 382.804 3.511 20 5 GHBDHM COc1cc([O-])cc2oc3cc([O-])c(OC4CCC([NH+](C)C)CC4)cc3c(=O)c12 ZINC001234802482 1040334228 /nfs/dbraw/zinc/33/42/28/1040334228.db2.gz YIBYVBHICQENBK-UHFFFAOYSA-N -1 3 399.443 3.618 20 5 GHBDHM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475282012 1050204654 /nfs/dbraw/zinc/20/46/54/1050204654.db2.gz LFRNMLVXEDMCHQ-MSRIBSCDSA-N -1 3 380.388 3.717 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])s1 ZINC001309454289 1050731936 /nfs/dbraw/zinc/73/19/36/1050731936.db2.gz KQVJSBPHCCEDFF-LDYMZIIASA-N -1 3 390.845 3.592 20 5 GHBDHM CC(C)(O)c1nnc([N-]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)o1 ZINC001320782108 1055959022 /nfs/dbraw/zinc/95/90/22/1055959022.db2.gz HNKJCPNWHVQIRQ-UHFFFAOYSA-N -1 3 378.772 3.731 20 5 GHBDHM CC(C)n1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1Br ZINC001349544600 1063781839 /nfs/dbraw/zinc/78/18/39/1063781839.db2.gz ZMGLDUGPXCCJQR-UHFFFAOYSA-N -1 3 389.156 3.665 20 5 GHBDHM COc1ccc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001349950690 1063950197 /nfs/dbraw/zinc/95/01/97/1063950197.db2.gz FUYDRVYFLJNJKJ-UHFFFAOYSA-N -1 3 385.254 3.783 20 5 GHBDHM O=c1[n-]c(S/C=C\c2ccc([N+](=O)[O-])o2)nc2c1cnn2Cc1ccccc1 ZINC001459179676 1064014999 /nfs/dbraw/zinc/01/49/99/1064014999.db2.gz NODPVWIXTXCYLG-HJWRWDBZSA-N -1 3 395.400 3.844 20 5 GHBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCCC1 ZINC001463732629 1064576534 /nfs/dbraw/zinc/57/65/34/1064576534.db2.gz ATSDPIZKHBMHQE-UHFFFAOYSA-N -1 3 391.287 3.749 20 5 GHBDHM O=C(NCCN1CCC2(CCCCC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001472550721 1073547799 /nfs/dbraw/zinc/54/77/99/1073547799.db2.gz CGVQFJBMCOUTNV-UHFFFAOYSA-N -1 3 395.887 3.730 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001474878115 1074607919 /nfs/dbraw/zinc/60/79/19/1074607919.db2.gz JIRFOWOZIVDGFV-ZDUSSCGKSA-N -1 3 396.440 3.869 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)cc1C ZINC001475342314 1074840375 /nfs/dbraw/zinc/84/03/75/1074840375.db2.gz SWMONCCDASCAPC-CYBMUJFWSA-N -1 3 376.425 3.706 20 5 GHBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](c2ccccc2)C1 ZINC001475385326 1074856513 /nfs/dbraw/zinc/85/65/13/1074856513.db2.gz FGDDQUAXYZYPSB-CWRNSKLLSA-N -1 3 392.452 3.985 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738369646 598245649 /nfs/dbraw/zinc/24/56/49/598245649.db2.gz LFVJVYMGGGOWTM-NHYWBVRUSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738369646 598245650 /nfs/dbraw/zinc/24/56/50/598245650.db2.gz LFVJVYMGGGOWTM-NHYWBVRUSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000738360274 598246051 /nfs/dbraw/zinc/24/60/51/598246051.db2.gz UOZJSEHHICSOFK-SMDDNHRTSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000738360274 598246053 /nfs/dbraw/zinc/24/60/53/598246053.db2.gz UOZJSEHHICSOFK-SMDDNHRTSA-N -1 3 390.325 3.762 20 5 GHBDHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736199941 598814816 /nfs/dbraw/zinc/81/48/16/598814816.db2.gz PVYSUSUXDLBJFA-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736199941 598814817 /nfs/dbraw/zinc/81/48/17/598814817.db2.gz PVYSUSUXDLBJFA-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455826 599353986 /nfs/dbraw/zinc/35/39/86/599353986.db2.gz NLWKWYJZQXJANY-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455826 599353989 /nfs/dbraw/zinc/35/39/89/599353989.db2.gz NLWKWYJZQXJANY-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)cs1 ZINC000822418841 599446587 /nfs/dbraw/zinc/44/65/87/599446587.db2.gz GRBZCGVUDNOPRK-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)cs1 ZINC000822418841 599446589 /nfs/dbraw/zinc/44/65/89/599446589.db2.gz GRBZCGVUDNOPRK-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822275896 599493149 /nfs/dbraw/zinc/49/31/49/599493149.db2.gz ZMSLGVQAEROWFQ-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822275896 599493152 /nfs/dbraw/zinc/49/31/52/599493152.db2.gz ZMSLGVQAEROWFQ-QGZVFWFLSA-N -1 3 387.403 3.731 20 5 GHBDHM O=C([O-])[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000833165797 600734120 /nfs/dbraw/zinc/73/41/20/600734120.db2.gz LUQYMDNZUMUEMT-HNNXBMFYSA-N -1 3 384.219 3.729 20 5 GHBDHM C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739031857 602875818 /nfs/dbraw/zinc/87/58/18/602875818.db2.gz RFQHJALHBWXQMD-OCCSQVGLSA-N -1 3 390.465 3.586 20 5 GHBDHM Cc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000826290813 607832668 /nfs/dbraw/zinc/83/26/68/607832668.db2.gz AXYWBUMEBMGFEF-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000826290813 607832669 /nfs/dbraw/zinc/83/26/69/607832669.db2.gz AXYWBUMEBMGFEF-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000826498502 608023431 /nfs/dbraw/zinc/02/34/31/608023431.db2.gz XWIBNBJNPLIPLL-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000826498502 608023432 /nfs/dbraw/zinc/02/34/32/608023432.db2.gz XWIBNBJNPLIPLL-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000824648428 608416145 /nfs/dbraw/zinc/41/61/45/608416145.db2.gz GABUVAFGKNBUIK-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000824648428 608416146 /nfs/dbraw/zinc/41/61/46/608416146.db2.gz GABUVAFGKNBUIK-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2ccncc21 ZINC000826498285 608443130 /nfs/dbraw/zinc/44/31/30/608443130.db2.gz OJQXVXGTFGJLIC-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2ccncc21 ZINC000826498285 608443131 /nfs/dbraw/zinc/44/31/31/608443131.db2.gz OJQXVXGTFGJLIC-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000536221005 837488901 /nfs/dbraw/zinc/48/89/01/837488901.db2.gz PSDJGDKGPDKSMC-UHFFFAOYSA-N -1 3 382.825 3.834 20 5 GHBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3N)s2)c(C)c1 ZINC000065122645 844134944 /nfs/dbraw/zinc/13/49/44/844134944.db2.gz HKJJDLCLXPIUNB-UHFFFAOYSA-N -1 3 387.396 3.704 20 5 GHBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000134189255 839287127 /nfs/dbraw/zinc/28/71/27/839287127.db2.gz CRHWEIQYQYWCNU-UHFFFAOYSA-N -1 3 392.293 3.757 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c(Cl)c1 ZINC000492314236 842077540 /nfs/dbraw/zinc/07/75/40/842077540.db2.gz SBBALXOSGPJXTC-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000104740299 842218640 /nfs/dbraw/zinc/21/86/40/842218640.db2.gz BGFKSCHJSWXXAL-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187543766 842631128 /nfs/dbraw/zinc/63/11/28/842631128.db2.gz BHQJRKYQUGGVEO-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000131466145 861408574 /nfs/dbraw/zinc/40/85/74/861408574.db2.gz IYJXGVAKWBNCEC-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000183243452 846801205 /nfs/dbraw/zinc/80/12/05/846801205.db2.gz IRFMPMNWHVEVPD-LBPRGKRZSA-N -1 3 396.378 3.535 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc([C@H]2CCCOC2)c1 ZINC000501848448 847249747 /nfs/dbraw/zinc/24/97/47/847249747.db2.gz SGEBSASHPHUJPK-KRWDZBQOSA-N -1 3 392.415 3.553 20 5 GHBDHM Cc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000504482878 850093948 /nfs/dbraw/zinc/09/39/48/850093948.db2.gz SZSXCLYMUZMFDN-UHFFFAOYSA-N -1 3 378.157 3.708 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438065192 851141839 /nfs/dbraw/zinc/14/18/39/851141839.db2.gz WHEQTVAQXDZQPP-UHFFFAOYSA-N -1 3 395.272 3.790 20 5 GHBDHM CCN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000550075166 851397030 /nfs/dbraw/zinc/39/70/30/851397030.db2.gz PUZJYDYAMMCOQE-QFBILLFUSA-N -1 3 395.381 3.643 20 5 GHBDHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000427111333 852738086 /nfs/dbraw/zinc/73/80/86/852738086.db2.gz QVRHBNXGSPJLOG-UHFFFAOYSA-N -1 3 393.237 3.657 20 5 GHBDHM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507302452 852779715 /nfs/dbraw/zinc/77/97/15/852779715.db2.gz MGBUSGDOIZOUPR-QAPCUYQASA-N -1 3 383.448 3.598 20 5 GHBDHM COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000518284930 853163403 /nfs/dbraw/zinc/16/34/03/853163403.db2.gz BKZZHZWVSPINLH-UHFFFAOYSA-N -1 3 399.334 3.888 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(Cl)c1 ZINC000055975282 854280728 /nfs/dbraw/zinc/28/07/28/854280728.db2.gz IUOPKMDOXQXDBF-ZDUSSCGKSA-N -1 3 384.866 3.764 20 5 GHBDHM O=C(Nc1cccc(CSc2ccccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485367487 856412628 /nfs/dbraw/zinc/41/26/28/856412628.db2.gz JVBATFWZAWBXKD-UHFFFAOYSA-N -1 3 382.401 3.635 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000427905440 856863544 /nfs/dbraw/zinc/86/35/44/856863544.db2.gz FKINTIXZMYOVPJ-QGZVFWFLSA-N -1 3 389.477 3.565 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000173374798 856895545 /nfs/dbraw/zinc/89/55/45/856895545.db2.gz ZEUBKLFALVDZOR-AWEZNQCLSA-N -1 3 389.886 3.617 20 5 GHBDHM CSc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000151514191 857464446 /nfs/dbraw/zinc/46/44/46/857464446.db2.gz VRSCYQZVGITMSM-UHFFFAOYSA-N -1 3 397.250 3.715 20 5 GHBDHM O=c1[n-]ccc(N2CCC(Nc3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000596215793 858817827 /nfs/dbraw/zinc/81/78/27/858817827.db2.gz YLCJBFSXAOHLNT-UHFFFAOYSA-N -1 3 393.241 3.539 20 5 GHBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000596241449 858826352 /nfs/dbraw/zinc/82/63/52/858826352.db2.gz TZCOLJAEQWTOSC-QMTHXVAHSA-N -1 3 383.326 3.681 20 5 GHBDHM CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCSC2 ZINC000060448378 859289324 /nfs/dbraw/zinc/28/93/24/859289324.db2.gz LPKVOMFJFODUCC-UHFFFAOYSA-N -1 3 398.487 3.936 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000429417882 859322492 /nfs/dbraw/zinc/32/24/92/859322492.db2.gz HZFMFJSAFYKVNI-VXGBXAGGSA-N -1 3 388.836 3.864 20 5 GHBDHM O=C(Oc1cccc(OCC(F)(F)F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000727053300 859908408 /nfs/dbraw/zinc/90/84/08/859908408.db2.gz OQMVLEAOXFRLAU-UHFFFAOYSA-N -1 3 381.266 3.631 20 5 GHBDHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000469812462 860013101 /nfs/dbraw/zinc/01/31/01/860013101.db2.gz YNMOQBYYWGZTMP-UHFFFAOYSA-N -1 3 380.803 3.775 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Br)c1 ZINC000727353026 860049893 /nfs/dbraw/zinc/04/98/93/860049893.db2.gz CGKYNLRMWDZHEH-CMDGGOBGSA-N -1 3 383.223 3.770 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000064029649 865813510 /nfs/dbraw/zinc/81/35/10/865813510.db2.gz MUNIMVCFHVCSNM-UHFFFAOYSA-N -1 3 381.841 3.870 20 5 GHBDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000445971463 869247013 /nfs/dbraw/zinc/24/70/13/869247013.db2.gz MTMOTXFNGFEGSW-CQSZACIVSA-N -1 3 395.293 3.764 20 5 GHBDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000780417690 869744384 /nfs/dbraw/zinc/74/43/84/869744384.db2.gz VXTZENMLRUBRTK-UHFFFAOYSA-N -1 3 376.843 3.898 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(Br)c1 ZINC000446942060 870748247 /nfs/dbraw/zinc/74/82/47/870748247.db2.gz PZVWQRBRSBCBIH-UHFFFAOYSA-N -1 3 389.271 3.526 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001194107070 871479278 /nfs/dbraw/zinc/47/92/78/871479278.db2.gz ASUCKHHSXMONDT-JTQLQIEISA-N -1 3 382.816 3.660 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000191915648 882666295 /nfs/dbraw/zinc/66/62/95/882666295.db2.gz YZVOCCSMCLNGER-UHFFFAOYSA-N -1 3 376.221 3.714 20 5 GHBDHM O=C(OCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000769711643 874246351 /nfs/dbraw/zinc/24/63/51/874246351.db2.gz HDUUTQVNDDSBTJ-INIZCTEOSA-N -1 3 398.415 3.542 20 5 GHBDHM COc1cc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)c([N+](=O)[O-])cc1[O-] ZINC001201581201 875763936 /nfs/dbraw/zinc/76/39/36/875763936.db2.gz UHRFZQIZEFVGMA-UHFFFAOYSA-N -1 3 390.396 3.663 20 5 GHBDHM COC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000785791809 876246532 /nfs/dbraw/zinc/24/65/32/876246532.db2.gz VRIDLRDNIJEEQD-OAHLLOKOSA-N -1 3 384.766 3.844 20 5 GHBDHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000180338384 878789121 /nfs/dbraw/zinc/78/91/21/878789121.db2.gz ZNELKJWCVFKJNC-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853448688 879024348 /nfs/dbraw/zinc/02/43/48/879024348.db2.gz PXHPQPSRQWBQHL-GFCCVEGCSA-N -1 3 388.424 3.893 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)[C@@H](O)CCCC3)s1 ZINC000853812681 879297746 /nfs/dbraw/zinc/29/77/46/879297746.db2.gz LCSQRKWKNIAKDG-AWEZNQCLSA-N -1 3 382.463 3.563 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc(C)ccc3OC)cs2)n1 ZINC000191475733 885129477 /nfs/dbraw/zinc/12/94/77/885129477.db2.gz YSEYLDGLLVPQIR-UHFFFAOYSA-N -1 3 387.421 3.504 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC001211968480 888417645 /nfs/dbraw/zinc/41/76/45/888417645.db2.gz PKUNMFXGOJYFDR-UHFFFAOYSA-N -1 3 382.850 3.941 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393893 889534845 /nfs/dbraw/zinc/53/48/45/889534845.db2.gz GZESWDVJOPSULS-UHFFFAOYSA-N -1 3 393.808 3.895 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC001212229713 892467727 /nfs/dbraw/zinc/46/77/27/892467727.db2.gz UTMWCVPRKZCJCR-NWDGAFQWSA-N -1 3 392.399 3.861 20 5 GHBDHM CC(C)(C)OC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001134605614 893125548 /nfs/dbraw/zinc/12/55/48/893125548.db2.gz GLPGFNJJLGTTGE-UHFFFAOYSA-N -1 3 398.406 3.847 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000126692062 893791792 /nfs/dbraw/zinc/79/17/92/893791792.db2.gz AADRRHJVDVNSRV-UHFFFAOYSA-N -1 3 396.153 3.532 20 5 GHBDHM CCOc1cc([N-]C(=O)c2c(C)onc2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000459904558 894352197 /nfs/dbraw/zinc/35/21/97/894352197.db2.gz RSGFUEVCSOIGML-UHFFFAOYSA-N -1 3 375.381 3.818 20 5 GHBDHM CC(C)Oc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576282857 901911156 /nfs/dbraw/zinc/91/11/56/901911156.db2.gz WLCQJFDUJZMQBM-LJQANCHMSA-N -1 3 387.436 3.795 20 5 GHBDHM Cc1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c(Cl)c1 ZINC001212837345 903524730 /nfs/dbraw/zinc/52/47/30/903524730.db2.gz GZESCIQNHFQSGJ-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c(Cl)c1 ZINC001212837345 903524741 /nfs/dbraw/zinc/52/47/41/903524741.db2.gz GZESCIQNHFQSGJ-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(Br)c(F)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212937248 911786190 /nfs/dbraw/zinc/78/61/90/911786190.db2.gz VHOPJNZFMWTJTM-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC001190937224 917649540 /nfs/dbraw/zinc/64/95/40/917649540.db2.gz DDAJVAUOJBTTGV-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C1CC1 ZINC001191340251 917916210 /nfs/dbraw/zinc/91/62/10/917916210.db2.gz JWGMUNUYDISNAN-AAEUAGOBSA-N -1 3 392.399 3.718 20 5 GHBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011809055 925635841 /nfs/dbraw/zinc/63/58/41/925635841.db2.gz SLLBRFFZTOEETB-UHFFFAOYSA-N -1 3 392.582 3.679 20 5 GHBDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)no2)c1 ZINC000470697339 930834666 /nfs/dbraw/zinc/83/46/66/930834666.db2.gz PGJCOZHGVQVNIK-UHFFFAOYSA-N -1 3 399.334 3.756 20 5 GHBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)c1ccc(Cl)cc1 ZINC001116789824 933756787 /nfs/dbraw/zinc/75/67/87/933756787.db2.gz AIEHTOCORPKPHV-UHFFFAOYSA-N -1 3 380.738 3.533 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598507878 992530438 /nfs/dbraw/zinc/53/04/38/992530438.db2.gz WBXIRBONQLMVON-PKOBYXMFSA-N -1 3 388.395 3.784 20 5 GHBDHM COc1cc(O[C@@H](C)c2ccccn2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647462 1032500785 /nfs/dbraw/zinc/50/07/85/1032500785.db2.gz YUGWJOTWLXUFQT-NSHDSACASA-N -1 3 379.368 3.901 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@H]2CCOc3ccc(Br)cc32)c2[n-]cnc21 ZINC001227693866 1032519263 /nfs/dbraw/zinc/51/92/63/1032519263.db2.gz YQQJPNPZLWEHCJ-LBPRGKRZSA-N -1 3 391.181 3.531 20 5 GHBDHM C[C@H](COc1ccc(F)cc1F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777954802 1017925721 /nfs/dbraw/zinc/92/57/21/1017925721.db2.gz DJYJOYBBADAEAM-SNVBAGLBSA-N -1 3 386.301 3.549 20 5 GHBDHM CCOC(=O)c1cc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)[n-]n1 ZINC001155990929 1032825251 /nfs/dbraw/zinc/82/52/51/1032825251.db2.gz OSVQDKNWSQMPGA-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM CCOC(=O)c1cc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)n[n-]1 ZINC001155990929 1032825271 /nfs/dbraw/zinc/82/52/71/1032825271.db2.gz OSVQDKNWSQMPGA-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM COc1ccccc1CO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001139376062 1026247211 /nfs/dbraw/zinc/24/72/11/1026247211.db2.gz XHUOXQKYKWBWID-UHFFFAOYSA-N -1 3 389.166 3.911 20 5 GHBDHM O=C([N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000840526654 1027598718 /nfs/dbraw/zinc/59/87/18/1027598718.db2.gz IORQZWAUVPFRIA-RCOVLWMOSA-N -1 3 375.105 3.647 20 5 GHBDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001210786472 1027651447 /nfs/dbraw/zinc/65/14/47/1027651447.db2.gz MLOXAPGOBJNDRO-ZDUSSCGKSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccsc2C(F)(F)F)c1C ZINC001213315270 1028103905 /nfs/dbraw/zinc/10/39/05/1028103905.db2.gz DFFOHBLNODUINO-UHFFFAOYSA-N -1 3 394.396 3.770 20 5 GHBDHM CCC(CC)Nc1ccncc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001159871293 1034769317 /nfs/dbraw/zinc/76/93/17/1034769317.db2.gz AJAKFAULUJSKRV-UHFFFAOYSA-N -1 3 378.816 3.624 20 5 GHBDHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001234689791 1040222372 /nfs/dbraw/zinc/22/23/72/1040222372.db2.gz UNVYPHJIMBWDON-NSHDSACASA-N -1 3 381.344 3.626 20 5 GHBDHM COc1c([O-])ccc2c(=O)c3c(OC4CCC([NH+](C)C)CC4)cc([O-])cc3oc21 ZINC001234750296 1040276656 /nfs/dbraw/zinc/27/66/56/1040276656.db2.gz WPXHJKLKYYAYST-UHFFFAOYSA-N -1 3 399.443 3.618 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC001463130877 1070833367 /nfs/dbraw/zinc/83/33/67/1070833367.db2.gz WQWDGFCVZLQRDZ-OAHLLOKOSA-N -1 3 384.404 3.919 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCCC2)c(C(F)(F)F)c1 ZINC001308991557 1050251673 /nfs/dbraw/zinc/25/16/73/1050251673.db2.gz YOGCCYSGGYCKPC-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)c(F)c1 ZINC001309119829 1050374503 /nfs/dbraw/zinc/37/45/03/1050374503.db2.gz QIGCNTKWLXCKGK-GOSISDBHSA-N -1 3 378.425 3.944 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001321196353 1056151295 /nfs/dbraw/zinc/15/12/95/1056151295.db2.gz QWNFJGKJCKUGHE-UHFFFAOYSA-N -1 3 381.367 3.753 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001322366850 1056654830 /nfs/dbraw/zinc/65/48/30/1056654830.db2.gz AUUDVTUARSJARH-UHFFFAOYSA-N -1 3 375.381 3.634 20 5 GHBDHM CC(C)(C)c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001454297751 1061704572 /nfs/dbraw/zinc/70/45/72/1061704572.db2.gz RFWGUQQPAYMGLL-UHFFFAOYSA-N -1 3 384.436 3.585 20 5 GHBDHM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC001455051826 1061988386 /nfs/dbraw/zinc/98/83/86/1061988386.db2.gz AFCPXPFLMPHVPC-UHFFFAOYSA-N -1 3 390.367 3.900 20 5 GHBDHM O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCc1ccc([O-])c(F)c1 ZINC001458198709 1063650423 /nfs/dbraw/zinc/65/04/23/1063650423.db2.gz OADLEXNIBGDRHQ-UHFFFAOYSA-N -1 3 392.184 3.784 20 5 GHBDHM CCOc1ccc(C(=O)Nc2cc([O-])cc(Br)c2)cc1[N+](=O)[O-] ZINC001468024411 1067570440 /nfs/dbraw/zinc/57/04/40/1067570440.db2.gz CNQRCUUBAUNZBS-UHFFFAOYSA-N -1 3 381.182 3.714 20 5 GHBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](c2ccccc2)C1 ZINC001475385328 1074856252 /nfs/dbraw/zinc/85/62/52/1074856252.db2.gz FGDDQUAXYZYPSB-NUEKZKHPSA-N -1 3 392.452 3.985 20 5 GHBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)(F)F ZINC001475600682 1074924285 /nfs/dbraw/zinc/92/42/85/1074924285.db2.gz FJRWHYUGBAZWBN-UHFFFAOYSA-N -1 3 382.404 3.859 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736194198 598492049 /nfs/dbraw/zinc/49/20/49/598492049.db2.gz XOBJQQBFMICWRW-NWDGAFQWSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736194198 598492051 /nfs/dbraw/zinc/49/20/51/598492051.db2.gz XOBJQQBFMICWRW-NWDGAFQWSA-N -1 3 399.432 3.560 20 5 GHBDHM Cc1c(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000737212947 599333197 /nfs/dbraw/zinc/33/31/97/599333197.db2.gz UQCKRVNMXGIOEX-UHFFFAOYSA-N -1 3 378.314 3.714 20 5 GHBDHM Cc1c(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000737212947 599333201 /nfs/dbraw/zinc/33/32/01/599333201.db2.gz UQCKRVNMXGIOEX-UHFFFAOYSA-N -1 3 378.314 3.714 20 5 GHBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000820275813 599492615 /nfs/dbraw/zinc/49/26/15/599492615.db2.gz SBVULVRNFGSDAG-LLVKDONJSA-N -1 3 393.382 3.678 20 5 GHBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC000820275813 599492617 /nfs/dbraw/zinc/49/26/17/599492617.db2.gz SBVULVRNFGSDAG-LLVKDONJSA-N -1 3 393.382 3.678 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccncc2)cc1 ZINC000823635190 607459742 /nfs/dbraw/zinc/45/97/42/607459742.db2.gz SFFUCEFIPYLQRC-WOJGMQOQSA-N -1 3 388.362 3.898 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccncc2)cc1 ZINC000823635190 607459744 /nfs/dbraw/zinc/45/97/44/607459744.db2.gz SFFUCEFIPYLQRC-WOJGMQOQSA-N -1 3 388.362 3.898 20 5 GHBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833552200 604950420 /nfs/dbraw/zinc/95/04/20/604950420.db2.gz XWPNRTFAVZRYEU-JSGCOSHPSA-N -1 3 388.424 3.529 20 5 GHBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833552202 604951061 /nfs/dbraw/zinc/95/10/61/604951061.db2.gz XWPNRTFAVZRYEU-TZMCWYRMSA-N -1 3 388.424 3.529 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000820461466 607045401 /nfs/dbraw/zinc/04/54/01/607045401.db2.gz KLRKNUOLFKPKAS-NSHDSACASA-N -1 3 398.398 3.876 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820461466 607045402 /nfs/dbraw/zinc/04/54/02/607045402.db2.gz KLRKNUOLFKPKAS-NSHDSACASA-N -1 3 398.398 3.876 20 5 GHBDHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178197 608160740 /nfs/dbraw/zinc/16/07/40/608160740.db2.gz NYYPHGLKZKZWQS-ZWNOBZJWSA-N -1 3 390.831 3.605 20 5 GHBDHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178197 608160744 /nfs/dbraw/zinc/16/07/44/608160744.db2.gz NYYPHGLKZKZWQS-ZWNOBZJWSA-N -1 3 390.831 3.605 20 5 GHBDHM C[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824390780 608161347 /nfs/dbraw/zinc/16/13/47/608161347.db2.gz DKBFKMSRKQEDBO-SECBINFHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824390780 608161348 /nfs/dbraw/zinc/16/13/48/608161348.db2.gz DKBFKMSRKQEDBO-SECBINFHSA-N -1 3 378.820 3.583 20 5 GHBDHM Cc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826288907 608163598 /nfs/dbraw/zinc/16/35/98/608163598.db2.gz BLQVLEIHYHLOOW-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826288907 608163600 /nfs/dbraw/zinc/16/36/00/608163600.db2.gz BLQVLEIHYHLOOW-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000826278796 609479507 /nfs/dbraw/zinc/47/95/07/609479507.db2.gz UEVWSIAVGQKDPY-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000826278796 609479508 /nfs/dbraw/zinc/47/95/08/609479508.db2.gz UEVWSIAVGQKDPY-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000190010899 838537230 /nfs/dbraw/zinc/53/72/30/838537230.db2.gz SHAFLXQSRLMEOT-MRXNPFEDSA-N -1 3 383.495 3.580 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580349633 839349850 /nfs/dbraw/zinc/34/98/50/839349850.db2.gz MFVHJLACXNQNQD-UHFFFAOYSA-N -1 3 391.309 3.506 20 5 GHBDHM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000432278861 842498097 /nfs/dbraw/zinc/49/80/97/842498097.db2.gz ARFAEPYEUCDRRT-UHFFFAOYSA-N -1 3 390.795 3.838 20 5 GHBDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162772247 862123942 /nfs/dbraw/zinc/12/39/42/862123942.db2.gz IQACNVLSFCSEJE-VIFPVBQESA-N -1 3 394.396 3.585 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436960515 852532762 /nfs/dbraw/zinc/53/27/62/852532762.db2.gz QVAUZSIPALXBCW-MAUKXSAKSA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1C ZINC000481886659 862486725 /nfs/dbraw/zinc/48/67/25/862486725.db2.gz GQIFYOJTQSGSPN-UHFFFAOYSA-N -1 3 382.825 3.601 20 5 GHBDHM CC(C)(C)c1csc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000895109056 856073122 /nfs/dbraw/zinc/07/31/22/856073122.db2.gz ORDOGSRMXQFNHE-UHFFFAOYSA-N -1 3 376.482 3.909 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000046065374 856465228 /nfs/dbraw/zinc/46/52/28/856465228.db2.gz REWGBQQQLBSICC-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485931643 857226785 /nfs/dbraw/zinc/22/67/85/857226785.db2.gz JPYAIQWIBWXPLR-VIFPVBQESA-N -1 3 397.865 3.897 20 5 GHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151532934 857807091 /nfs/dbraw/zinc/80/70/91/857807091.db2.gz GHTCDBGEFHFSDF-UHFFFAOYSA-N -1 3 397.250 3.715 20 5 GHBDHM CC(C)(C)c1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000067478397 858585414 /nfs/dbraw/zinc/58/54/14/858585414.db2.gz QGPSFMVUPIFYCE-UHFFFAOYSA-N -1 3 377.422 3.762 20 5 GHBDHM O=C([O-])CC[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000596023401 858763179 /nfs/dbraw/zinc/76/31/79/858763179.db2.gz XSVKDYUHPXCGSW-LBPRGKRZSA-N -1 3 386.326 3.988 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3ccccc3Br)CC2)c1[N+](=O)[O-] ZINC000596202067 858806955 /nfs/dbraw/zinc/80/69/55/858806955.db2.gz AHZBOXUUAUAPEF-UHFFFAOYSA-N -1 3 378.226 3.842 20 5 GHBDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904399737 860404684 /nfs/dbraw/zinc/40/46/84/860404684.db2.gz AHQXVSHVEURBRJ-GOSISDBHSA-N -1 3 375.450 3.795 20 5 GHBDHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000124758638 860488538 /nfs/dbraw/zinc/48/85/38/860488538.db2.gz MAHCXPLQDTUJSZ-MRXNPFEDSA-N -1 3 377.784 3.549 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)c(Cl)c1 ZINC000522798869 863363026 /nfs/dbraw/zinc/36/30/26/863363026.db2.gz MFTZHULXOQPWMD-UHFFFAOYSA-N -1 3 396.852 3.658 20 5 GHBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444254482 863764112 /nfs/dbraw/zinc/76/41/12/863764112.db2.gz TUELWSNWZYSFPY-UHFFFAOYSA-N -1 3 398.340 3.734 20 5 GHBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480064867 863939110 /nfs/dbraw/zinc/93/91/10/863939110.db2.gz FBFVAHYPTLXLBP-DZGCQCFKSA-N -1 3 390.889 3.510 20 5 GHBDHM COc1ccc([N-]C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)c([N+](=O)[O-])c1 ZINC000121475327 866915057 /nfs/dbraw/zinc/91/50/57/866915057.db2.gz KZKUNWQIETUSJQ-UHFFFAOYSA-N -1 3 395.419 3.868 20 5 GHBDHM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444822591 867267234 /nfs/dbraw/zinc/26/72/34/867267234.db2.gz AEZXVRJSJZKQJJ-UHFFFAOYSA-N -1 3 382.401 3.560 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC000609068643 867462168 /nfs/dbraw/zinc/46/21/68/867462168.db2.gz NEZNKTRRZUWJGC-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM CC(C)(C)c1ccc(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)on2)cc1 ZINC000444999825 867618157 /nfs/dbraw/zinc/61/81/57/867618157.db2.gz MKTFBPCQGGLRBH-UHFFFAOYSA-N -1 3 382.376 3.900 20 5 GHBDHM COc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000446760343 870355517 /nfs/dbraw/zinc/35/55/17/870355517.db2.gz GOYBYHPSICABIK-UHFFFAOYSA-N -1 3 391.232 3.852 20 5 GHBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000794426053 872914580 /nfs/dbraw/zinc/91/45/80/872914580.db2.gz CAXQBZDSQHSHRF-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000768412525 873277561 /nfs/dbraw/zinc/27/75/61/873277561.db2.gz HCUSVQUDKYEVTH-UHFFFAOYSA-N -1 3 391.836 3.667 20 5 GHBDHM COc1cc(CNCc2nn(CCC(C)C)c3ccccc23)c([N+](=O)[O-])cc1[O-] ZINC000449488676 874941347 /nfs/dbraw/zinc/94/13/47/874941347.db2.gz JYWWFZBKJONKOG-UHFFFAOYSA-N -1 3 398.463 3.995 20 5 GHBDHM COC(=O)c1cc(Br)c(OC)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224939 875586979 /nfs/dbraw/zinc/58/69/79/875586979.db2.gz WTHODXRVKDYEIW-UHFFFAOYSA-N -1 3 397.181 3.602 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000030371175 876016554 /nfs/dbraw/zinc/01/65/54/876016554.db2.gz OZEMSTZSQFHDTI-GFCCVEGCSA-N -1 3 386.376 3.626 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786131263 876498497 /nfs/dbraw/zinc/49/84/97/876498497.db2.gz OHYKGEMYORYAGE-UHFFFAOYSA-N -1 3 386.385 3.619 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000137812762 884791884 /nfs/dbraw/zinc/79/18/84/884791884.db2.gz IVYPPMOVGRZVIX-UHFFFAOYSA-N -1 3 387.446 3.873 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000495361143 885446777 /nfs/dbraw/zinc/44/67/77/885446777.db2.gz WXRXWRNVFQJECU-UHFFFAOYSA-N -1 3 382.825 3.945 20 5 GHBDHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000532659341 887219977 /nfs/dbraw/zinc/21/99/77/887219977.db2.gz YVOWAHNOFRRTGJ-UHFFFAOYSA-N -1 3 379.210 3.979 20 5 GHBDHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000811395196 889536199 /nfs/dbraw/zinc/53/61/99/889536199.db2.gz YXIVLFNRPFNDOE-QMMMGPOBSA-N -1 3 393.808 3.975 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811832236 890017648 /nfs/dbraw/zinc/01/76/48/890017648.db2.gz NJJSBRGGRKFIBM-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000497917356 892740830 /nfs/dbraw/zinc/74/08/30/892740830.db2.gz OKZRDTWCIPFCML-UHFFFAOYSA-N -1 3 382.413 3.884 20 5 GHBDHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270684 896840089 /nfs/dbraw/zinc/84/00/89/896840089.db2.gz KWDBNBXMZUKQCU-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270684 896840105 /nfs/dbraw/zinc/84/01/05/896840105.db2.gz KWDBNBXMZUKQCU-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM C[C@@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000820555265 897390558 /nfs/dbraw/zinc/39/05/58/897390558.db2.gz IDDLYDNNOCVLJQ-LLVKDONJSA-N -1 3 382.449 3.902 20 5 GHBDHM C[C@@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000820555265 897390565 /nfs/dbraw/zinc/39/05/65/897390565.db2.gz IDDLYDNNOCVLJQ-LLVKDONJSA-N -1 3 382.449 3.902 20 5 GHBDHM COc1ccc(Nc2ccc(I)cc2[O-])cc1[N+](=O)[O-] ZINC001176361690 908074470 /nfs/dbraw/zinc/07/44/70/908074470.db2.gz IBBCGCBUUJNTOJ-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194429044 908880710 /nfs/dbraw/zinc/88/07/10/908880710.db2.gz BSTXFHGIOUZITD-UHFFFAOYSA-N -1 3 393.224 3.568 20 5 GHBDHM Cc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c([O-])c1 ZINC000750662110 927784552 /nfs/dbraw/zinc/78/45/52/927784552.db2.gz HQBLRAMIQVTZLU-UHFFFAOYSA-N -1 3 391.221 3.570 20 5 GHBDHM O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1)c1cccs1 ZINC000753781242 929533771 /nfs/dbraw/zinc/53/37/71/929533771.db2.gz KZCNDVHGHFROCR-UHFFFAOYSA-N -1 3 384.369 3.833 20 5 GHBDHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001573363260 947709958 /nfs/dbraw/zinc/70/99/58/947709958.db2.gz NBVSSSGKGXLJCI-YVMONPNESA-N -1 3 390.812 3.532 20 5 GHBDHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001573363260 947709970 /nfs/dbraw/zinc/70/99/70/947709970.db2.gz NBVSSSGKGXLJCI-YVMONPNESA-N -1 3 390.812 3.532 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CCC2 ZINC001574416680 948754957 /nfs/dbraw/zinc/75/49/57/948754957.db2.gz DACKHLUOHJBPQA-OAHLLOKOSA-N -1 3 393.451 3.970 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CCC2 ZINC001574416680 948754961 /nfs/dbraw/zinc/75/49/61/948754961.db2.gz DACKHLUOHJBPQA-OAHLLOKOSA-N -1 3 393.451 3.970 20 5 GHBDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC001573882050 950767753 /nfs/dbraw/zinc/76/77/53/950767753.db2.gz PKGAVNRATJMTNL-UHFFFAOYSA-N -1 3 393.451 3.636 20 5 GHBDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC001573882050 950767769 /nfs/dbraw/zinc/76/77/69/950767769.db2.gz PKGAVNRATJMTNL-UHFFFAOYSA-N -1 3 393.451 3.636 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC2 ZINC001591974021 976584128 /nfs/dbraw/zinc/58/41/28/976584128.db2.gz OFOMBQQOZCHZPC-SFHVURJKSA-N -1 3 384.432 3.959 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000469023698 1016348784 /nfs/dbraw/zinc/34/87/84/1016348784.db2.gz SIGNMWBMFDQDOX-QGZVFWFLSA-N -1 3 389.477 3.565 20 5 GHBDHM COc1cc(O[C@H]2CCC(F)(F)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641422 1032498333 /nfs/dbraw/zinc/49/83/33/1032498333.db2.gz NOOKBBFMCFVUQI-VIFPVBQESA-N -1 3 378.327 3.933 20 5 GHBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cc(Br)ccc1F ZINC001227691556 1032518731 /nfs/dbraw/zinc/51/87/31/1032518731.db2.gz PIKIQAXJVMZEFR-ZETCQYMHSA-N -1 3 381.161 3.908 20 5 GHBDHM C[C@H]1C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740869 1032537999 /nfs/dbraw/zinc/53/79/99/1032537999.db2.gz BHLXOGZOZDWUJO-AAEUAGOBSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740869 1032538008 /nfs/dbraw/zinc/53/80/08/1032538008.db2.gz BHLXOGZOZDWUJO-AAEUAGOBSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740935 1032538114 /nfs/dbraw/zinc/53/81/14/1032538114.db2.gz DFAJLNPVGUHILQ-MLGOLLRUSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740935 1032538122 /nfs/dbraw/zinc/53/81/22/1032538122.db2.gz DFAJLNPVGUHILQ-MLGOLLRUSA-N -1 3 390.440 3.886 20 5 GHBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1nc2cccnc2s1 ZINC000576965963 1020097565 /nfs/dbraw/zinc/09/75/65/1020097565.db2.gz SPALHPUTUSKJCU-UHFFFAOYSA-N -1 3 379.195 3.614 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC001228687702 1033046403 /nfs/dbraw/zinc/04/64/03/1033046403.db2.gz ZSZOKZRIDFFQAE-CYBMUJFWSA-N -1 3 393.440 3.705 20 5 GHBDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000839235789 1025748587 /nfs/dbraw/zinc/74/85/87/1025748587.db2.gz MUPXVCKHUGNOEB-SECBINFHSA-N -1 3 383.376 3.784 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001211195200 1027833842 /nfs/dbraw/zinc/83/38/42/1027833842.db2.gz MJTRIGGXKZWMGR-ZDUSSCGKSA-N -1 3 390.795 3.956 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCCC2)c(F)cc1[N+](=O)[O-] ZINC001211469717 1027975952 /nfs/dbraw/zinc/97/59/52/1027975952.db2.gz QFHMRNOCAUCEMN-UHFFFAOYSA-N -1 3 392.452 3.876 20 5 GHBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229537828 1033547333 /nfs/dbraw/zinc/54/73/33/1033547333.db2.gz NCCFYPZWRDWNLX-AWEZNQCLSA-N -1 3 395.415 3.812 20 5 GHBDHM NCc1cc(Br)ccc1[N-]c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001161852334 1035315818 /nfs/dbraw/zinc/31/58/18/1035315818.db2.gz LYWUASBXUVGTRD-UHFFFAOYSA-N -1 3 393.028 3.656 20 5 GHBDHM Cc1cc(C(F)(F)F)c(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001248000893 1038532932 /nfs/dbraw/zinc/53/29/32/1038532932.db2.gz ADJFZHOPCNWWSJ-UHFFFAOYSA-N -1 3 393.281 3.619 20 5 GHBDHM COc1ccccc1OC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506694 1039398452 /nfs/dbraw/zinc/39/84/52/1039398452.db2.gz QDTHFVHSQISHHA-SNVBAGLBSA-N -1 3 377.784 3.979 20 5 GHBDHM O=c1[n-]cnc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1-c1ccccc1 ZINC001234688836 1040221486 /nfs/dbraw/zinc/22/14/86/1040221486.db2.gz KYYQADWVMBUGSE-UHFFFAOYSA-N -1 3 392.415 3.805 20 5 GHBDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 ZINC001293830184 1044341626 /nfs/dbraw/zinc/34/16/26/1044341626.db2.gz FCMKIXHNOWQELF-UHFFFAOYSA-N -1 3 390.421 3.601 20 5 GHBDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309128608 1050385883 /nfs/dbraw/zinc/38/58/83/1050385883.db2.gz UGUFEFNMUCYHQI-QWRGUYRKSA-N -1 3 380.388 3.718 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC001309508999 1050772619 /nfs/dbraw/zinc/77/26/19/1050772619.db2.gz YCLZOXCHQWUHOL-UHFFFAOYSA-N -1 3 380.388 3.718 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001318189525 1054485423 /nfs/dbraw/zinc/48/54/23/1054485423.db2.gz VUWVJEFBWRRQTJ-UHFFFAOYSA-N -1 3 389.408 3.888 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1F ZINC001319107811 1055040955 /nfs/dbraw/zinc/04/09/55/1055040955.db2.gz BBHBGOGYUXJDPR-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001440672590 1058572303 /nfs/dbraw/zinc/57/23/03/1058572303.db2.gz JORMIAOAKPAMMO-KRWDZBQOSA-N -1 3 389.839 3.521 20 5 GHBDHM O=C([N-]c1csnc1-c1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001435201148 1062384760 /nfs/dbraw/zinc/38/47/60/1062384760.db2.gz HBVMSKFDCOWVTF-UHFFFAOYSA-N -1 3 383.385 3.742 20 5 GHBDHM Cc1c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001459714447 1064183045 /nfs/dbraw/zinc/18/30/45/1064183045.db2.gz SAPZXWWWVWZWTH-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001463763815 1064597058 /nfs/dbraw/zinc/59/70/58/1064597058.db2.gz VHPXWGYFJXBQGF-UHFFFAOYSA-N -1 3 393.303 3.708 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC001464249586 1064926027 /nfs/dbraw/zinc/92/60/27/1064926027.db2.gz VXEJNBWOFRJVJG-NVBFEUDRSA-N -1 3 392.399 3.861 20 5 GHBDHM Nc1c(Cl)cc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001466633184 1066225045 /nfs/dbraw/zinc/22/50/45/1066225045.db2.gz UEWPRSRVYTVSRH-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC001474987918 1074669853 /nfs/dbraw/zinc/66/98/53/1074669853.db2.gz XXKDLLRFGZLGLJ-CQSZACIVSA-N -1 3 388.367 3.750 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])s1 ZINC001475487498 1074892687 /nfs/dbraw/zinc/89/26/87/1074892687.db2.gz ORCLPJMPNJOGMI-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475497159 1074895765 /nfs/dbraw/zinc/89/57/65/1074895765.db2.gz IHSWRIBNHNLXKQ-CQSZACIVSA-N -1 3 382.869 3.938 20 5 GHBDHM CCc1ccc([C@H]2C[C@H](C)CCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821482927 599110583 /nfs/dbraw/zinc/11/05/83/599110583.db2.gz WOSNYSZBIHUHOI-SJKOYZFVSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@H]2C[C@H](C)CCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821482927 599110586 /nfs/dbraw/zinc/11/05/86/599110586.db2.gz WOSNYSZBIHUHOI-SJKOYZFVSA-N -1 3 382.424 3.908 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCSc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367544 599260406 /nfs/dbraw/zinc/26/04/06/599260406.db2.gz VLGDHEKUXRRULD-UHFFFAOYSA-N -1 3 393.432 3.527 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCSc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367544 599260409 /nfs/dbraw/zinc/26/04/09/599260409.db2.gz VLGDHEKUXRRULD-UHFFFAOYSA-N -1 3 393.432 3.527 20 5 GHBDHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736198092 598814852 /nfs/dbraw/zinc/81/48/52/598814852.db2.gz FODQXSQEQDAVQZ-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736198092 598814853 /nfs/dbraw/zinc/81/48/53/598814853.db2.gz FODQXSQEQDAVQZ-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678892 599484507 /nfs/dbraw/zinc/48/45/07/599484507.db2.gz ZYDNKTJRXACHOE-MFKMUULPSA-N -1 3 391.391 3.652 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678892 599484509 /nfs/dbraw/zinc/48/45/09/599484509.db2.gz ZYDNKTJRXACHOE-MFKMUULPSA-N -1 3 391.391 3.652 20 5 GHBDHM Cc1cc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)ncc1[N+](=O)[O-] ZINC000822209738 606041983 /nfs/dbraw/zinc/04/19/83/606041983.db2.gz UVSGUFLZSGJJHA-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820460745 606732821 /nfs/dbraw/zinc/73/28/21/606732821.db2.gz BCBWVKQLAFGWKU-ZDUSSCGKSA-N -1 3 379.424 3.548 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820460745 606732823 /nfs/dbraw/zinc/73/28/23/606732823.db2.gz BCBWVKQLAFGWKU-ZDUSSCGKSA-N -1 3 379.424 3.548 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000823639490 606801583 /nfs/dbraw/zinc/80/15/83/606801583.db2.gz BCWQONIIHFTJMZ-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000823639490 606801584 /nfs/dbraw/zinc/80/15/84/606801584.db2.gz BCWQONIIHFTJMZ-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824656756 608416247 /nfs/dbraw/zinc/41/62/47/608416247.db2.gz MJLCZZYDKNMRSH-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824656756 608416248 /nfs/dbraw/zinc/41/62/48/608416248.db2.gz MJLCZZYDKNMRSH-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)cs1 ZINC000120225932 834942370 /nfs/dbraw/zinc/94/23/70/834942370.db2.gz ACVVOGQJCLHNNS-LLVKDONJSA-N -1 3 398.359 3.767 20 5 GHBDHM CCCCCc1nnc([N-]C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)s1 ZINC000014714317 835061226 /nfs/dbraw/zinc/06/12/26/835061226.db2.gz RFYVBCCPIBETPP-UHFFFAOYSA-N -1 3 392.437 3.608 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)c(F)c1 ZINC000536130544 835052336 /nfs/dbraw/zinc/05/23/36/835052336.db2.gz PMEMHLFIISHKPM-UHFFFAOYSA-N -1 3 385.225 3.581 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2cccs2)CC1 ZINC000022681311 835130332 /nfs/dbraw/zinc/13/03/32/835130332.db2.gz QKBFNZRLBFOGNH-MRXNPFEDSA-N -1 3 389.477 3.565 20 5 GHBDHM CC(C)Cc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)s1 ZINC000180341926 837147953 /nfs/dbraw/zinc/14/79/53/837147953.db2.gz AVTVZGOBVWQUDW-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201832 838376291 /nfs/dbraw/zinc/37/62/91/838376291.db2.gz JRCKRTQQQVFTSR-UHFFFAOYSA-N -1 3 396.388 3.657 20 5 GHBDHM Cc1c(NCc2cc(=O)[n-]c(C3CC3)n2)cc(Br)cc1[N+](=O)[O-] ZINC000417037262 840398873 /nfs/dbraw/zinc/39/88/73/840398873.db2.gz UZNOAPQJNDMFCX-UHFFFAOYSA-N -1 3 379.214 3.651 20 5 GHBDHM CC[C@@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1)c1ccccc1 ZINC000106719775 841076648 /nfs/dbraw/zinc/07/66/48/841076648.db2.gz NKLMORMJFSMIAD-CQSZACIVSA-N -1 3 383.433 3.944 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119916026 846488641 /nfs/dbraw/zinc/48/86/41/846488641.db2.gz OAWMQLUGTKYUAA-UHFFFAOYSA-N -1 3 389.217 3.635 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1sccc1Br ZINC000119984478 846651547 /nfs/dbraw/zinc/65/15/47/846651547.db2.gz OUZICWAUNDRKRE-UHFFFAOYSA-N -1 3 399.222 3.832 20 5 GHBDHM COc1c([O-])ccc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000892254834 846896137 /nfs/dbraw/zinc/89/61/37/846896137.db2.gz WPPBKZKNCMXIHQ-ZIAGYGMSSA-N -1 3 387.436 3.535 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000604403208 862144173 /nfs/dbraw/zinc/14/41/73/862144173.db2.gz VELLXORERBPDAK-CQSZACIVSA-N -1 3 375.450 3.611 20 5 GHBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514136010 851300559 /nfs/dbraw/zinc/30/05/59/851300559.db2.gz JQRMBMKVOJXMID-UHFFFAOYSA-N -1 3 382.304 3.560 20 5 GHBDHM CCOc1cc([N-]C(=O)c2nccnc2SCC)c([N+](=O)[O-])cc1OCC ZINC000430111867 851592195 /nfs/dbraw/zinc/59/21/95/851592195.db2.gz AETAJILQFKBNAO-UHFFFAOYSA-N -1 3 392.437 3.547 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000489194320 852105707 /nfs/dbraw/zinc/10/57/07/852105707.db2.gz HJMLKWXGGJABBL-UHFFFAOYSA-N -1 3 392.384 3.915 20 5 GHBDHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000436913475 852491803 /nfs/dbraw/zinc/49/18/03/852491803.db2.gz GWROYDVBOPUHPR-UHFFFAOYSA-N -1 3 394.174 3.645 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(F)c(C)c3)cs2)n1 ZINC000427376791 853018969 /nfs/dbraw/zinc/01/89/69/853018969.db2.gz UABXNBXOLBSOGM-UHFFFAOYSA-N -1 3 375.385 3.635 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC)c([N+](=O)[O-])c3)c2)n1 ZINC000517380132 853708998 /nfs/dbraw/zinc/70/89/98/853708998.db2.gz UVKHKERAJABQTR-UHFFFAOYSA-N -1 3 393.403 3.614 20 5 GHBDHM O=C(Oc1ccc(Br)c(F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000732905368 862598266 /nfs/dbraw/zinc/59/82/66/862598266.db2.gz IHRVLGANAIJGSY-UHFFFAOYSA-N -1 3 380.129 3.592 20 5 GHBDHM COc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000572527572 854863281 /nfs/dbraw/zinc/86/32/81/854863281.db2.gz CGCPENUVAUQUDE-HXUWFJFHSA-N -1 3 399.447 3.941 20 5 GHBDHM COc1cnc(F)c(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC001128068490 855221670 /nfs/dbraw/zinc/22/16/70/855221670.db2.gz INHRNVHGLNVTDX-UHFFFAOYSA-N -1 3 397.362 3.969 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000592645664 856997728 /nfs/dbraw/zinc/99/77/28/856997728.db2.gz DNNVPHFYAPFCDR-UHFFFAOYSA-N -1 3 390.749 3.606 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000151491392 857231239 /nfs/dbraw/zinc/23/12/39/857231239.db2.gz SAIABOUHDKKKMH-AWEZNQCLSA-N -1 3 389.886 3.617 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000485955618 857249628 /nfs/dbraw/zinc/24/96/28/857249628.db2.gz KOKIAFBMCVJSHA-ZDUSSCGKSA-N -1 3 388.367 3.528 20 5 GHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)nc21 ZINC000438948961 857808299 /nfs/dbraw/zinc/80/82/99/857808299.db2.gz BDHAEJLRQANJCH-UHFFFAOYSA-N -1 3 382.376 3.633 20 5 GHBDHM O=C(NCc1ncccc1[O-])c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442809687 858152665 /nfs/dbraw/zinc/15/26/65/858152665.db2.gz LEIGNEVAGVHHSL-UHFFFAOYSA-N -1 3 381.413 3.777 20 5 GHBDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067166801 858462032 /nfs/dbraw/zinc/46/20/32/858462032.db2.gz ZBYWWUSXZOIBGD-UHFFFAOYSA-N -1 3 389.824 3.803 20 5 GHBDHM Cc1c([N-]C(=O)c2ncoc2-c2ccon2)cc(Br)cc1[N+](=O)[O-] ZINC001128616446 863027226 /nfs/dbraw/zinc/02/72/26/863027226.db2.gz JGQWGDNDMMKQSC-UHFFFAOYSA-N -1 3 393.153 3.561 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000118723718 859910997 /nfs/dbraw/zinc/91/09/97/859910997.db2.gz SLTHQJTWAHHISG-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM COc1ccc([N-]C(=O)c2sc(N3CCCC3)nc2Cl)c([N+](=O)[O-])c1 ZINC000728161451 860407182 /nfs/dbraw/zinc/40/71/82/860407182.db2.gz JIXQKQPYGUJFDP-UHFFFAOYSA-N -1 3 382.829 3.566 20 5 GHBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000603626502 860928149 /nfs/dbraw/zinc/92/81/49/860928149.db2.gz JBCCPVBQGPFTLT-UHFFFAOYSA-N -1 3 392.209 3.890 20 5 GHBDHM Cc1ccc(SCC(F)(F)F)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185693956 861014328 /nfs/dbraw/zinc/01/43/28/861014328.db2.gz ZXCRMEDUIMRREP-UHFFFAOYSA-N -1 3 387.339 3.911 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)c(Cl)c1 ZINC000522981942 863833682 /nfs/dbraw/zinc/83/36/82/863833682.db2.gz PNEHSEISCFSVKH-INIZCTEOSA-N -1 3 380.853 3.548 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c(C)cccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000026118067 868271595 /nfs/dbraw/zinc/27/15/95/868271595.db2.gz ZHZWLCJBTHMNRN-JTQLQIEISA-N -1 3 387.417 3.736 20 5 GHBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000464643209 874221313 /nfs/dbraw/zinc/22/13/13/874221313.db2.gz LTSOERXPOAHSNQ-UHFFFAOYSA-N -1 3 385.689 3.562 20 5 GHBDHM COc1cc(CNc2cnc(Cl)c(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000769756306 874258971 /nfs/dbraw/zinc/25/89/71/874258971.db2.gz BBIKSDSJEGMGKE-UHFFFAOYSA-N -1 3 388.605 3.732 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000541826765 874344697 /nfs/dbraw/zinc/34/46/97/874344697.db2.gz CDBDFJAFOQZDGU-NSHDSACASA-N -1 3 388.367 3.696 20 5 GHBDHM COc1ccc(-n2nc3c(c2Nc2cc([O-])cc([N+](=O)[O-])c2)CSC3)cc1 ZINC001199818928 875180197 /nfs/dbraw/zinc/18/01/97/875180197.db2.gz HIAVLLVLKFRNFF-UHFFFAOYSA-N -1 3 384.417 3.985 20 5 GHBDHM CCc1c(C)nc2sc(C(N)=O)c(Nc3cc([O-])cc([N+](=O)[O-])c3)c2c1C ZINC001199814625 875197232 /nfs/dbraw/zinc/19/72/32/875197232.db2.gz LXGMALYTSUESLI-UHFFFAOYSA-N -1 3 386.433 3.932 20 5 GHBDHM COC(=O)c1cc(Br)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201222039 875585246 /nfs/dbraw/zinc/58/52/46/875585246.db2.gz JDORPTRWJIGNFF-UHFFFAOYSA-N -1 3 381.182 3.902 20 5 GHBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000030007970 875813553 /nfs/dbraw/zinc/81/35/53/875813553.db2.gz SZWRAFVIVKHZIS-QGZVFWFLSA-N -1 3 396.852 3.686 20 5 GHBDHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786140418 876469613 /nfs/dbraw/zinc/46/96/13/876469613.db2.gz PMDYOJGROBFDAC-JTQLQIEISA-N -1 3 386.385 3.699 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3[C@@H](C)C[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000530379597 877677762 /nfs/dbraw/zinc/67/77/62/877677762.db2.gz KTLWMVMQWXFBEV-GJZGRUSLSA-N -1 3 389.477 4.000 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC2)c(Cl)c1 ZINC001212269792 877828429 /nfs/dbraw/zinc/82/84/29/877828429.db2.gz OSLBDWWXPDBCKR-UHFFFAOYSA-N -1 3 384.816 3.745 20 5 GHBDHM O=c1[n-]c(S/C=C/c2ccc([N+](=O)[O-])o2)nc2c1cnn2-c1ccccc1 ZINC000789317887 878850643 /nfs/dbraw/zinc/85/06/43/878850643.db2.gz JFBXJFSPGWRLGN-CMDGGOBGSA-N -1 3 381.373 3.785 20 5 GHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1C ZINC000461221241 879414502 /nfs/dbraw/zinc/41/45/02/879414502.db2.gz RGGQEXQGDZGLQK-UHFFFAOYSA-N -1 3 386.433 3.507 20 5 GHBDHM C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914571872 884178267 /nfs/dbraw/zinc/17/82/67/884178267.db2.gz OAESYBAZXISKTQ-LOWQCSRCSA-N -1 3 381.432 3.551 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1[O-] ZINC000808189546 886085463 /nfs/dbraw/zinc/08/54/63/886085463.db2.gz UGQIVZKMYUPVCH-UHFFFAOYSA-N -1 3 397.156 3.657 20 5 GHBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1Cc1ccc(C)cc1 ZINC000193437335 886168769 /nfs/dbraw/zinc/16/87/69/886168769.db2.gz UAWSLPHQUBKRGN-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nc(C3CCOCC3)ns2)cc1[N+](=O)[O-] ZINC000863265308 886979579 /nfs/dbraw/zinc/97/95/79/886979579.db2.gz UCSGIYGTGDIAEI-UHFFFAOYSA-N -1 3 382.829 3.554 20 5 GHBDHM O=C([N-]CCc1nc(C(F)(F)F)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272275527 887050018 /nfs/dbraw/zinc/05/00/18/887050018.db2.gz XFCLALUKGPLQSV-UHFFFAOYSA-N -1 3 395.309 3.521 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc(O)c1 ZINC000809818742 887873461 /nfs/dbraw/zinc/87/34/61/887873461.db2.gz HNLYQWRTWORYCY-QMMMGPOBSA-N -1 3 391.232 3.647 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000121711584 889098184 /nfs/dbraw/zinc/09/81/84/889098184.db2.gz QCJWXFPVVLDTRS-UHFFFAOYSA-N -1 3 379.398 3.566 20 5 GHBDHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000811394081 889532875 /nfs/dbraw/zinc/53/28/75/889532875.db2.gz KPIZLHNEINDMTQ-UHFFFAOYSA-N -1 3 397.771 3.726 20 5 GHBDHM O=C(Oc1ccc(Br)cc1F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916857412 890295047 /nfs/dbraw/zinc/29/50/47/890295047.db2.gz WRSSWYJBVCEJJF-UHFFFAOYSA-N -1 3 380.129 3.592 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000567306132 897047637 /nfs/dbraw/zinc/04/76/37/897047637.db2.gz NISDWAFCEZSOCM-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826293475 897120853 /nfs/dbraw/zinc/12/08/53/897120853.db2.gz QPQYSDWNCWXGJD-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826293475 897120863 /nfs/dbraw/zinc/12/08/63/897120863.db2.gz QPQYSDWNCWXGJD-UHFFFAOYSA-N -1 3 382.327 3.648 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000821476603 897916758 /nfs/dbraw/zinc/91/67/58/897916758.db2.gz QACQSEQOYTZNED-UHFFFAOYSA-N -1 3 386.437 3.522 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000821476603 897916767 /nfs/dbraw/zinc/91/67/67/897916767.db2.gz QACQSEQOYTZNED-UHFFFAOYSA-N -1 3 386.437 3.522 20 5 GHBDHM CSc1ccc([O-])c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001136840440 899471092 /nfs/dbraw/zinc/47/10/92/899471092.db2.gz QGJLEMVHOUHKTQ-QGZVFWFLSA-N -1 3 376.459 3.910 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)c(F)cc1[N+](=O)[O-] ZINC001186324504 914436413 /nfs/dbraw/zinc/43/64/13/914436413.db2.gz WRZXHDUKWIWCPV-UHFFFAOYSA-N -1 3 396.415 3.582 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cccnc3OC3CCCCC3)no2)cc1[N+](=O)[O-] ZINC001212844374 903717117 /nfs/dbraw/zinc/71/71/17/903717117.db2.gz QFABFBDMPFJXND-UHFFFAOYSA-N -1 3 383.364 3.519 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001187209978 915120613 /nfs/dbraw/zinc/12/06/13/915120613.db2.gz RUHBXMBNLASIHY-HOCLYGCPSA-N -1 3 394.880 3.938 20 5 GHBDHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901982791 921788524 /nfs/dbraw/zinc/78/85/24/921788524.db2.gz GTAIKVVTMFKANC-LBPRGKRZSA-N -1 3 378.475 3.715 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c(Cl)c1 ZINC001189903108 916997902 /nfs/dbraw/zinc/99/79/02/916997902.db2.gz DKXHJGASLAFFDU-UHFFFAOYSA-N -1 3 397.186 3.658 20 5 GHBDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc(Cl)c2O1 ZINC000800927782 920611020 /nfs/dbraw/zinc/61/10/20/920611020.db2.gz AQQPCOKKNXMBEK-QMMMGPOBSA-N -1 3 386.788 3.512 20 5 GHBDHM Cc1ccc2[nH]cc(CCC(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c2c1 ZINC000470566128 930718987 /nfs/dbraw/zinc/71/89/87/930718987.db2.gz VRRFTLSAONWFBB-UHFFFAOYSA-N -1 3 389.415 3.768 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784487104 931911922 /nfs/dbraw/zinc/91/19/22/931911922.db2.gz SYBSGTRYSRSQSA-UHFFFAOYSA-N -1 3 383.360 3.633 20 5 GHBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001118324011 934138500 /nfs/dbraw/zinc/13/85/00/934138500.db2.gz KKTUOXVKLIVNFJ-LYRGGWFBSA-N -1 3 376.359 3.734 20 5 GHBDHM O=C([O-])c1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC001595226280 949298644 /nfs/dbraw/zinc/29/86/44/949298644.db2.gz ICNVRKUXHIICAS-WGSAOQKQSA-N -1 3 384.432 3.599 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591791344 975983750 /nfs/dbraw/zinc/98/37/50/975983750.db2.gz TVRRHYAHBJYVJM-GOSISDBHSA-N -1 3 398.415 3.914 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC001594963962 982715500 /nfs/dbraw/zinc/71/55/00/982715500.db2.gz AHSYWGWDJAFUQP-RRFJBIMHSA-N -1 3 394.468 3.571 20 5 GHBDHM C[C@](NCc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298049 994709193 /nfs/dbraw/zinc/70/91/93/994709193.db2.gz CXEXARPBUNQOPC-MRXNPFEDSA-N -1 3 384.310 3.583 20 5 GHBDHM COc1cc(O[C@@H]2CCC(F)(F)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641419 1032498268 /nfs/dbraw/zinc/49/82/68/1032498268.db2.gz NOOKBBFMCFVUQI-SECBINFHSA-N -1 3 378.327 3.933 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCc3ccc(Br)cc32)c2[n-]cnc21 ZINC001227692083 1032518460 /nfs/dbraw/zinc/51/84/60/1032518460.db2.gz SWKYTMUCWKIAAF-GFCCVEGCSA-N -1 3 375.182 3.695 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)[n-]c2c1 ZINC001227743721 1032540351 /nfs/dbraw/zinc/54/03/51/1032540351.db2.gz WQUBCEQREZGASX-LLVKDONJSA-N -1 3 393.856 3.624 20 5 GHBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)nc2c1 ZINC001227743721 1032540356 /nfs/dbraw/zinc/54/03/56/1032540356.db2.gz WQUBCEQREZGASX-LLVKDONJSA-N -1 3 393.856 3.624 20 5 GHBDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228627440 1033018708 /nfs/dbraw/zinc/01/87/08/1033018708.db2.gz FBEVZLDKXUSFGU-SNVBAGLBSA-N -1 3 385.328 3.584 20 5 GHBDHM CCN(CC)C(=O)[C@@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001228673351 1033037322 /nfs/dbraw/zinc/03/73/22/1033037322.db2.gz GIXXCKBVRGZOHT-SFHVURJKSA-N -1 3 382.420 3.768 20 5 GHBDHM CCN(CC)C(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228673351 1033037337 /nfs/dbraw/zinc/03/73/37/1033037337.db2.gz GIXXCKBVRGZOHT-SFHVURJKSA-N -1 3 382.420 3.768 20 5 GHBDHM CC(=O)c1cccc([N+](=O)[O-])c1OC(=C([O-])c1ccccn1)c1ccccn1 ZINC001228970413 1033208688 /nfs/dbraw/zinc/20/86/88/1033208688.db2.gz IHSGZDLVYGRTNP-FQEVSTJZSA-N -1 3 377.356 3.590 20 5 GHBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001149788843 1030305687 /nfs/dbraw/zinc/30/56/87/1030305687.db2.gz FJZSXBMTQYCRGX-UHFFFAOYSA-N -1 3 384.417 3.503 20 5 GHBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC001225664071 1031529198 /nfs/dbraw/zinc/52/91/98/1031529198.db2.gz INXDWVCFMLSAJV-ZCFIWIBFSA-N -1 3 375.125 3.876 20 5 GHBDHM CCOC(=O)C(F)(F)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001226341915 1031922662 /nfs/dbraw/zinc/92/26/62/1031922662.db2.gz WOOIICQIOHFWOW-OAHLLOKOSA-N -1 3 385.294 3.758 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2C(C)(C)C)c([N+](=O)[O-])s1 ZINC001209479590 1035287572 /nfs/dbraw/zinc/28/75/72/1035287572.db2.gz IMMTUGPLNHGXFP-UHFFFAOYSA-N -1 3 398.506 3.620 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001247999943 1038532170 /nfs/dbraw/zinc/53/21/70/1038532170.db2.gz PDVBWMHBPAWEKV-UHFFFAOYSA-N -1 3 377.316 3.552 20 5 GHBDHM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233496823 1039390936 /nfs/dbraw/zinc/39/09/36/1039390936.db2.gz ATJMWKTWLTWIQX-SNVBAGLBSA-N -1 3 394.815 3.679 20 5 GHBDHM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233496818 1039391435 /nfs/dbraw/zinc/39/14/35/1039391435.db2.gz ATJMWKTWLTWIQX-JTQLQIEISA-N -1 3 394.815 3.679 20 5 GHBDHM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1CCN(C)C1 ZINC001234742419 1040267505 /nfs/dbraw/zinc/26/75/05/1040267505.db2.gz YESNJLNEJGAEJQ-OAHLLOKOSA-N -1 3 395.455 3.949 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(O[C@@H]4C=CCC4)c(OC)c3oc-2c1 ZINC001234758222 1040287489 /nfs/dbraw/zinc/28/74/89/1040287489.db2.gz QDAOISXHVAXKGX-LLVKDONJSA-N -1 3 384.384 3.775 20 5 GHBDHM COc1cc([O-])c2c(=O)c3cc(OC)c(O[C@@H]4C=CCC4)c(OC)c3oc2c1 ZINC001234758222 1040287501 /nfs/dbraw/zinc/28/75/01/1040287501.db2.gz QDAOISXHVAXKGX-LLVKDONJSA-N -1 3 384.384 3.775 20 5 GHBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001307154064 1043961062 /nfs/dbraw/zinc/96/10/62/1043961062.db2.gz UGFCIDUXCURSML-ZJUUUORDSA-N -1 3 398.341 3.789 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(C)c1 ZINC001462862704 1070604752 /nfs/dbraw/zinc/60/47/52/1070604752.db2.gz WHYDKTQHTGKQQI-UHFFFAOYSA-N -1 3 389.260 3.997 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001462862533 1070605079 /nfs/dbraw/zinc/60/50/79/1070605079.db2.gz ZUCBTFSKBVUUII-LBPRGKRZSA-N -1 3 389.458 3.758 20 5 GHBDHM O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccc([O-])c(Br)c1 ZINC001307069482 1049050916 /nfs/dbraw/zinc/05/09/16/1049050916.db2.gz WMGWLBJVGVWRKJ-UHFFFAOYSA-N -1 3 392.184 3.784 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])s1 ZINC001309032928 1050289870 /nfs/dbraw/zinc/28/98/70/1050289870.db2.gz BFALRYYYKPRQSQ-VIFPVBQESA-N -1 3 392.405 3.606 20 5 GHBDHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309139427 1050394291 /nfs/dbraw/zinc/39/42/91/1050394291.db2.gz UQIFSRXXLMOTPY-UHFFFAOYSA-N -1 3 382.869 3.813 20 5 GHBDHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309560709 1050814082 /nfs/dbraw/zinc/81/40/82/1050814082.db2.gz IWARRCFORSPPKJ-YGRLFVJLSA-N -1 3 391.287 3.604 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)s2)c(F)c1 ZINC001309709808 1050931886 /nfs/dbraw/zinc/93/18/86/1050931886.db2.gz PZITWHUKOLEDGY-UHFFFAOYSA-N -1 3 392.433 3.941 20 5 GHBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC2)c1 ZINC001309713652 1050935059 /nfs/dbraw/zinc/93/50/59/1050935059.db2.gz WXEDMVCURINJJO-UHFFFAOYSA-N -1 3 396.852 3.615 20 5 GHBDHM CC(C)NC(=O)c1ccc(Cl)c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001356067869 1057375215 /nfs/dbraw/zinc/37/52/15/1057375215.db2.gz CZBXADYHGSNHTB-UHFFFAOYSA-N -1 3 379.775 3.778 20 5 GHBDHM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC001447074871 1059925970 /nfs/dbraw/zinc/92/59/70/1059925970.db2.gz BDILCTQUQHGLIM-UHFFFAOYSA-N -1 3 381.747 3.612 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2csc(C(F)(F)F)c2)c([N+](=O)[O-])s1 ZINC001464197995 1064902770 /nfs/dbraw/zinc/90/27/70/1064902770.db2.gz YWJXGECOYIWZMX-UHFFFAOYSA-N -1 3 386.398 3.524 20 5 GHBDHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC001472536652 1073538862 /nfs/dbraw/zinc/53/88/62/1073538862.db2.gz IFPZSBYDSQPNJS-SECBINFHSA-N -1 3 376.438 3.555 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(C)C)c(F)cc1[N+](=O)[O-] ZINC001474840023 1074587789 /nfs/dbraw/zinc/58/77/89/1074587789.db2.gz XCKBMYGRBKVICT-CYBMUJFWSA-N -1 3 396.440 3.869 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC001474968564 1074658500 /nfs/dbraw/zinc/65/85/00/1074658500.db2.gz FXNPFRHXCYZCHQ-UHFFFAOYSA-N -1 3 382.869 3.795 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC001475467737 1074886354 /nfs/dbraw/zinc/88/63/54/1074886354.db2.gz UGAWUTJIJAYBEA-QWHCGFSZSA-N -1 3 385.244 3.540 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822233636 599108555 /nfs/dbraw/zinc/10/85/55/599108555.db2.gz SFZHWSFXCQCZHO-QFBILLFUSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822233636 599108556 /nfs/dbraw/zinc/10/85/56/599108556.db2.gz SFZHWSFXCQCZHO-QFBILLFUSA-N -1 3 394.435 3.663 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000738366736 599265763 /nfs/dbraw/zinc/26/57/63/599265763.db2.gz JHEQWUWKTXEXLR-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000738366736 599265765 /nfs/dbraw/zinc/26/57/65/599265765.db2.gz JHEQWUWKTXEXLR-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCCc3cccc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823644179 599548419 /nfs/dbraw/zinc/54/84/19/599548419.db2.gz GMUPZGOZQRUGBD-UHFFFAOYSA-N -1 3 393.382 3.507 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCCc3cccc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823644179 599548420 /nfs/dbraw/zinc/54/84/20/599548420.db2.gz GMUPZGOZQRUGBD-UHFFFAOYSA-N -1 3 393.382 3.507 20 5 GHBDHM CCc1nc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504811 599550361 /nfs/dbraw/zinc/55/03/61/599550361.db2.gz LDWKRHZSJSYRPU-SECBINFHSA-N -1 3 396.436 3.515 20 5 GHBDHM CCc1nc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504811 599550362 /nfs/dbraw/zinc/55/03/62/599550362.db2.gz LDWKRHZSJSYRPU-SECBINFHSA-N -1 3 396.436 3.515 20 5 GHBDHM Cc1ccc([C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000738570065 599708024 /nfs/dbraw/zinc/70/80/24/599708024.db2.gz XQGHZGHONAOHGT-OTIVFRFGSA-N -1 3 385.420 3.843 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000823639888 606801450 /nfs/dbraw/zinc/80/14/50/606801450.db2.gz KQMYMNCGDFQABQ-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000823639888 606801452 /nfs/dbraw/zinc/80/14/52/606801452.db2.gz KQMYMNCGDFQABQ-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823629822 606803067 /nfs/dbraw/zinc/80/30/67/606803067.db2.gz IQPUYAQFBKXESO-UHFFFAOYSA-N -1 3 378.304 3.629 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823629822 606803068 /nfs/dbraw/zinc/80/30/68/606803068.db2.gz IQPUYAQFBKXESO-UHFFFAOYSA-N -1 3 378.304 3.629 20 5 GHBDHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000826207769 607845797 /nfs/dbraw/zinc/84/57/97/607845797.db2.gz CLXKZWPLIHNNQM-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000826207769 607845798 /nfs/dbraw/zinc/84/57/98/607845798.db2.gz CLXKZWPLIHNNQM-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)CC(C)(C)C ZINC000824384327 608162685 /nfs/dbraw/zinc/16/26/85/608162685.db2.gz AJVCQODNOIELOQ-SECBINFHSA-N -1 3 380.836 3.829 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)CC(C)(C)C ZINC000824384327 608162687 /nfs/dbraw/zinc/16/26/87/608162687.db2.gz AJVCQODNOIELOQ-SECBINFHSA-N -1 3 380.836 3.829 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])c2)n1 ZINC000109742564 837377475 /nfs/dbraw/zinc/37/74/75/837377475.db2.gz VVGFTNWYOMXPJO-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000102889469 838259574 /nfs/dbraw/zinc/25/95/74/838259574.db2.gz ZBSASFSEAFVKDA-UHFFFAOYSA-N -1 3 393.281 3.776 20 5 GHBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000102889469 838259583 /nfs/dbraw/zinc/25/95/83/838259583.db2.gz ZBSASFSEAFVKDA-UHFFFAOYSA-N -1 3 393.281 3.776 20 5 GHBDHM COc1cc(CNCc2cc(Br)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000101590910 842624827 /nfs/dbraw/zinc/62/48/27/842624827.db2.gz UIZIUWAVPMPJIC-UHFFFAOYSA-N -1 3 385.189 3.500 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000603939591 861422365 /nfs/dbraw/zinc/42/23/65/861422365.db2.gz WPTRZRWKBCEVGL-UHFFFAOYSA-N -1 3 379.401 3.702 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000056249038 861477870 /nfs/dbraw/zinc/47/78/70/861477870.db2.gz XVPMULJYFFRSLW-UHFFFAOYSA-N -1 3 375.797 3.722 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccccc1[N+](=O)[O-] ZINC000463171182 846428733 /nfs/dbraw/zinc/42/87/33/846428733.db2.gz MGWKUPRLEDOIRC-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000511103901 846959390 /nfs/dbraw/zinc/95/93/90/846959390.db2.gz DBWPCCDQPWZPKC-UHFFFAOYSA-N -1 3 378.388 3.664 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000501848449 847250023 /nfs/dbraw/zinc/25/00/23/847250023.db2.gz SGEBSASHPHUJPK-QGZVFWFLSA-N -1 3 392.415 3.553 20 5 GHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1 ZINC000466543261 861988013 /nfs/dbraw/zinc/98/80/13/861988013.db2.gz XZUWPVJXPBPFNM-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM CCCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488757374 851743663 /nfs/dbraw/zinc/74/36/63/851743663.db2.gz GXRXNSLUGDIKIH-MRXNPFEDSA-N -1 3 378.450 3.813 20 5 GHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccccc2)o1 ZINC000426779762 852386466 /nfs/dbraw/zinc/38/64/66/852386466.db2.gz LCGLUXNKPHYVOL-SFHVURJKSA-N -1 3 382.372 3.766 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436960514 852532621 /nfs/dbraw/zinc/53/26/21/852532621.db2.gz QVAUZSIPALXBCW-CRAIPNDOSA-N -1 3 383.448 3.598 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000489754319 852573584 /nfs/dbraw/zinc/57/35/84/852573584.db2.gz ARKVPUIFZJHIRC-UHFFFAOYSA-N -1 3 395.371 3.906 20 5 GHBDHM O=C([O-])Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000516972760 853214200 /nfs/dbraw/zinc/21/42/00/853214200.db2.gz IYPJERBXTDGSGX-INIZCTEOSA-N -1 3 375.450 3.532 20 5 GHBDHM O=C(Nc1cccc(CSc2ccccn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000517100729 853376910 /nfs/dbraw/zinc/37/69/10/853376910.db2.gz NTVLXDPGJINCIW-UHFFFAOYSA-N -1 3 382.401 3.635 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487390408 855213701 /nfs/dbraw/zinc/21/37/01/855213701.db2.gz KIRBVOASIDOEKZ-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000007418543 856133776 /nfs/dbraw/zinc/13/37/76/856133776.db2.gz BTXPEMVXIOHUCD-UHFFFAOYSA-N -1 3 380.731 3.775 20 5 GHBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000174474380 857320596 /nfs/dbraw/zinc/32/05/96/857320596.db2.gz OXHBBFWPQROFND-UHFFFAOYSA-N -1 3 393.334 3.821 20 5 GHBDHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439158290 858580398 /nfs/dbraw/zinc/58/03/98/858580398.db2.gz ZUFAXUIOPWHNAQ-OWQGQXMQSA-N -1 3 386.452 3.719 20 5 GHBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000593580852 860450789 /nfs/dbraw/zinc/45/07/89/860450789.db2.gz MTLMBIJPKFMACJ-RKDXNWHRSA-N -1 3 382.722 3.640 20 5 GHBDHM COc1cc(CNc2cc(F)c(Br)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000508458035 863113828 /nfs/dbraw/zinc/11/38/28/863113828.db2.gz LBXDEUFRKKQEDA-UHFFFAOYSA-N -1 3 389.152 3.962 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1sccc1-n1cccc1 ZINC000609202377 881718484 /nfs/dbraw/zinc/71/84/84/881718484.db2.gz OUVBMDRKOZNDJO-UHFFFAOYSA-N -1 3 379.401 3.511 20 5 GHBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129738973 864866879 /nfs/dbraw/zinc/86/68/79/864866879.db2.gz CKHGJWYNIIXRHW-LJQANCHMSA-N -1 3 397.456 3.675 20 5 GHBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741759069 866766776 /nfs/dbraw/zinc/76/67/76/866766776.db2.gz WGNKMTPJLPFEOX-ZWNOBZJWSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2CCc3ccccc3CC2)c(F)cc1[N+](=O)[O-] ZINC001192958433 870786147 /nfs/dbraw/zinc/78/61/47/870786147.db2.gz FHNRPKAYQATCHR-UHFFFAOYSA-N -1 3 392.452 3.516 20 5 GHBDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000775936371 874796739 /nfs/dbraw/zinc/79/67/39/874796739.db2.gz XVTCQFDQAATKGF-QMMMGPOBSA-N -1 3 399.186 3.791 20 5 GHBDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000775936368 874796783 /nfs/dbraw/zinc/79/67/83/874796783.db2.gz XVTCQFDQAATKGF-MRVPVSSYSA-N -1 3 399.186 3.791 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(I)c(F)c2)c1 ZINC001201221917 875585489 /nfs/dbraw/zinc/58/54/89/875585489.db2.gz FRYZMGJFHLUSGJ-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186816125 876272613 /nfs/dbraw/zinc/27/26/13/876272613.db2.gz NIHKLRGTAHXEIO-UHFFFAOYSA-N -1 3 382.357 3.817 20 5 GHBDHM O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc2sccc2c([O-])c1 ZINC000786137248 876502180 /nfs/dbraw/zinc/50/21/80/876502180.db2.gz JYDZGJWPAZAVPR-UHFFFAOYSA-N -1 3 397.368 3.922 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(F)cc1C ZINC000791304994 880313208 /nfs/dbraw/zinc/31/32/08/880313208.db2.gz IYEOPECOJBMECD-UHFFFAOYSA-N -1 3 378.331 3.919 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136021 880417171 /nfs/dbraw/zinc/41/71/71/880417171.db2.gz GQTYOXQVHZPMAY-OAHLLOKOSA-N -1 3 384.404 3.919 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476391903 885534035 /nfs/dbraw/zinc/53/40/35/885534035.db2.gz MNWFLKCFBXQGLZ-UHFFFAOYSA-N -1 3 376.768 3.890 20 5 GHBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000120571116 888371762 /nfs/dbraw/zinc/37/17/62/888371762.db2.gz DWKDRZVKSIITHV-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM CC(C)c1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514485 889708419 /nfs/dbraw/zinc/70/84/19/889708419.db2.gz LPOWMWDNVHOMDO-AWEZNQCLSA-N -1 3 387.402 3.609 20 5 GHBDHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811831473 890016197 /nfs/dbraw/zinc/01/61/97/890016197.db2.gz BOOKONTWIQKYMB-UHFFFAOYSA-N -1 3 391.232 3.849 20 5 GHBDHM O=C([N-]c1nncn1Cc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813008648 891212373 /nfs/dbraw/zinc/21/23/73/891212373.db2.gz PKZVOSZPFSYZCF-UHFFFAOYSA-N -1 3 392.202 3.794 20 5 GHBDHM Cc1c([N-]C(=O)c2cc(-c3ccn(C)n3)on2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001134432318 892852341 /nfs/dbraw/zinc/85/23/41/892852341.db2.gz OGWZFRZYRZEQMF-UHFFFAOYSA-N -1 3 395.297 3.563 20 5 GHBDHM C[C@@H]1CCCN(Cc2csc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])n2)C1 ZINC000601010822 903225865 /nfs/dbraw/zinc/22/58/65/903225865.db2.gz PBJDLPYCIIJVIH-LLVKDONJSA-N -1 3 378.429 3.675 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc4c3CCCC4)no2)c1Br ZINC001212837263 903503166 /nfs/dbraw/zinc/50/31/66/903503166.db2.gz CEEFVWRTZXRUDC-UHFFFAOYSA-N -1 3 390.197 3.676 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc4c3CCCC4)no2)c1Br ZINC001212837263 903503178 /nfs/dbraw/zinc/50/31/78/903503178.db2.gz CEEFVWRTZXRUDC-UHFFFAOYSA-N -1 3 390.197 3.676 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc4ccccc4c3)no2)c1Br ZINC001212837622 903513842 /nfs/dbraw/zinc/51/38/42/903513842.db2.gz VMSWXRMUGUNICD-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc4ccccc4c3)no2)c1Br ZINC001212837622 903513854 /nfs/dbraw/zinc/51/38/54/903513854.db2.gz VMSWXRMUGUNICD-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM Cc1ncsc1-c1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1 ZINC001212843798 903679113 /nfs/dbraw/zinc/67/91/13/903679113.db2.gz CLTHJWSHIHUDNI-UHFFFAOYSA-N -1 3 381.373 3.844 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(-c4ccc(F)cc4)cn3)no2)cc1[N+](=O)[O-] ZINC001212844431 903697759 /nfs/dbraw/zinc/69/77/59/903697759.db2.gz SYXUMDNWKCJULA-UHFFFAOYSA-N -1 3 379.307 3.614 20 5 GHBDHM COc1cc(CNc2ccc3c(c2)CCC(=O)N3CC2CC2)c([N+](=O)[O-])cc1[O-] ZINC000187529374 908101854 /nfs/dbraw/zinc/10/18/54/908101854.db2.gz SWFWLYNGMYYIGX-UHFFFAOYSA-N -1 3 397.431 3.610 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1F ZINC001191895645 918286261 /nfs/dbraw/zinc/28/62/61/918286261.db2.gz APAZKJYKQVFIIW-OAHLLOKOSA-N -1 3 389.408 3.712 20 5 GHBDHM COc1cc2c(cc1F)CC[C@@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000801082923 920765624 /nfs/dbraw/zinc/76/56/24/920765624.db2.gz LTKWJVATNZBFTG-HNNXBMFYSA-N -1 3 380.322 3.638 20 5 GHBDHM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748608151 923741896 /nfs/dbraw/zinc/74/18/96/923741896.db2.gz FQJSSUHQJWIKMG-UHFFFAOYSA-N -1 3 399.388 3.891 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccn1 ZINC000752246575 928711832 /nfs/dbraw/zinc/71/18/32/928711832.db2.gz GZPOSCLGOUMMOH-AWEZNQCLSA-N -1 3 383.857 3.771 20 5 GHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cc1 ZINC000782261825 931145534 /nfs/dbraw/zinc/14/55/34/931145534.db2.gz UPWFJDYQXNGHLW-HJWRWDBZSA-N -1 3 383.223 3.770 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CC(c2cccc(F)c2)C1 ZINC000558759010 932216588 /nfs/dbraw/zinc/21/65/88/932216588.db2.gz MQDMOQKVUYGXGJ-UHFFFAOYSA-N -1 3 380.379 3.678 20 5 GHBDHM O=C([N-]c1ccccc1SC[C@H]1CC1(Cl)Cl)c1c[nH]nc1[N+](=O)[O-] ZINC001118021801 934079659 /nfs/dbraw/zinc/07/96/59/934079659.db2.gz RWSBCXBSWCCFSX-MRVPVSSYSA-N -1 3 387.248 3.856 20 5 GHBDHM COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C)=C2 ZINC000829834688 935870533 /nfs/dbraw/zinc/87/05/33/935870533.db2.gz ZDIOIXAIERLXAQ-UHFFFAOYSA-N -1 3 388.445 3.949 20 5 GHBDHM CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001598176576 990728623 /nfs/dbraw/zinc/72/86/23/990728623.db2.gz PMXGJDCJMCDWCK-AWEZNQCLSA-N -1 3 381.791 3.800 20 5 GHBDHM CC(C)C1CCC(N2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC001591080809 991587684 /nfs/dbraw/zinc/58/76/84/991587684.db2.gz DOVALOABHOTEAQ-UHFFFAOYSA-N -1 3 389.496 3.625 20 5 GHBDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001593197227 994161258 /nfs/dbraw/zinc/16/12/58/994161258.db2.gz YNAKPLNJTSXVNJ-BMIGLBTASA-N -1 3 379.210 3.834 20 5 GHBDHM Cc1cc2[n-]c(OC[C@H]3CN([C@H](C)c4ccccc4)C(=O)O3)nc2cc1[N+](=O)[O-] ZINC001228676406 1033038750 /nfs/dbraw/zinc/03/87/50/1033038750.db2.gz FAMVUKOKNNZQOP-UKRRQHHQSA-N -1 3 396.403 3.740 20 5 GHBDHM Cc1[n-]c(=O)cc(OCc2cc(Br)cnc2OC(C)C)c1[N+](=O)[O-] ZINC001228688656 1033047415 /nfs/dbraw/zinc/04/74/15/1033047415.db2.gz MFCCXFRVZTUKSG-UHFFFAOYSA-N -1 3 398.213 3.528 20 5 GHBDHM CCc1ccc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC001461014912 1069337251 /nfs/dbraw/zinc/33/72/51/1069337251.db2.gz ATJBAOMVJPIATP-UHFFFAOYSA-N -1 3 386.408 3.991 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001210419154 1027500394 /nfs/dbraw/zinc/50/03/94/1027500394.db2.gz CDXJSUCDGHOVAG-VFZGTOFNSA-N -1 3 384.454 3.706 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001211022592 1027759037 /nfs/dbraw/zinc/75/90/37/1027759037.db2.gz QCEINCXBERZIJR-GFCCVEGCSA-N -1 3 390.248 3.726 20 5 GHBDHM C[NH2+][C@H]1C[C@@H](Oc2cc([O-])c(CC=C(C)C)c3oc4c([O-])cccc4c(=O)c23)C1 ZINC001217956933 1030686886 /nfs/dbraw/zinc/68/68/86/1030686886.db2.gz JSSYOEGAIPLXFK-OKILXGFUSA-N -1 3 395.455 3.995 20 5 GHBDHM CC(C)(Oc1c([O-])cccc1[N+](=O)[O-])[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001226334180 1031919129 /nfs/dbraw/zinc/91/91/29/1031919129.db2.gz SCENTFQDMZZRJT-QGZVFWFLSA-N -1 3 383.356 3.568 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC001309147382 1050401623 /nfs/dbraw/zinc/40/16/23/1050401623.db2.gz ZCNANFHSGZVCKC-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309293039 1050564744 /nfs/dbraw/zinc/56/47/44/1050564744.db2.gz IVNQZAUQKMGLOB-CYBMUJFWSA-N -1 3 391.287 3.604 20 5 GHBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001309319389 1050589736 /nfs/dbraw/zinc/58/97/36/1050589736.db2.gz WJSBYBOKLHXUDK-ZDUSSCGKSA-N -1 3 392.452 3.867 20 5 GHBDHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309383583 1050662372 /nfs/dbraw/zinc/66/23/72/1050662372.db2.gz AOYJVWBCTHYGCL-HNAYVOBHSA-N -1 3 392.452 3.972 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC001309495238 1050763919 /nfs/dbraw/zinc/76/39/19/1050763919.db2.gz BOELTMGJLJYWCL-ZDUSSCGKSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC001309512766 1050775136 /nfs/dbraw/zinc/77/51/36/1050775136.db2.gz PLTZPVAKBXTVBQ-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c2ncccc12 ZINC001309697935 1050925832 /nfs/dbraw/zinc/92/58/32/1050925832.db2.gz MCZGDMAJCSPCOK-OAHLLOKOSA-N -1 3 399.419 3.635 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C(C)C)c([N+](=O)[O-])s1 ZINC001309762656 1050961110 /nfs/dbraw/zinc/96/11/10/1050961110.db2.gz KKGNWBWOBXLBJY-KRWDZBQOSA-N -1 3 382.507 3.900 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1[N+](=O)[O-] ZINC001318159882 1054459840 /nfs/dbraw/zinc/45/98/40/1054459840.db2.gz DOFXSTLWKPMOPX-UHFFFAOYSA-N -1 3 375.381 3.634 20 5 GHBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001457664072 1063301280 /nfs/dbraw/zinc/30/12/80/1063301280.db2.gz ZKVOXGGUAAINBX-UHFFFAOYSA-N -1 3 381.344 3.663 20 5 GHBDHM C[C@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463471028 1064382192 /nfs/dbraw/zinc/38/21/92/1064382192.db2.gz KVKXWCAMFWCTDT-SGTLLEGYSA-N -1 3 378.425 3.726 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001463654962 1064530548 /nfs/dbraw/zinc/53/05/48/1064530548.db2.gz DGEJUYAIUKNNQH-CABCVRRESA-N -1 3 378.425 3.739 20 5 GHBDHM CC(C)[C@](C)(Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001464252392 1064927318 /nfs/dbraw/zinc/92/73/18/1064927318.db2.gz BAHRPVRESNQSSW-SFHVURJKSA-N -1 3 380.441 3.670 20 5 GHBDHM COc1cccc(Sc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc2)c1 ZINC001300226556 1065760383 /nfs/dbraw/zinc/76/03/83/1065760383.db2.gz CTCOBCKHFXODAS-UHFFFAOYSA-N -1 3 398.400 3.503 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001474539729 1074455562 /nfs/dbraw/zinc/45/55/62/1074455562.db2.gz USKYDPGNEQROBO-INIZCTEOSA-N -1 3 378.812 3.536 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])s1 ZINC001475268547 1074813973 /nfs/dbraw/zinc/81/39/73/1074813973.db2.gz JKTMHOMPBMWAJM-TZMCWYRMSA-N -1 3 384.454 3.718 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cc1C ZINC001475544898 1074910114 /nfs/dbraw/zinc/91/01/14/1074910114.db2.gz LKGFNKZBOOLJOA-UHFFFAOYSA-N -1 3 380.388 3.613 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nnn[n-]2)c1 ZINC000823640164 599066923 /nfs/dbraw/zinc/06/69/23/599066923.db2.gz WHRSXJYNCMUZHE-UHFFFAOYSA-N -1 3 383.799 3.564 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nn[n-]n2)c1 ZINC000823640164 599066926 /nfs/dbraw/zinc/06/69/26/599066926.db2.gz WHRSXJYNCMUZHE-UHFFFAOYSA-N -1 3 383.799 3.564 20 5 GHBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2ccccc2c2cccnc12 ZINC000823242349 599168302 /nfs/dbraw/zinc/16/83/02/599168302.db2.gz VNZULJOMUQSWTA-UHFFFAOYSA-N -1 3 398.401 3.637 20 5 GHBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2ccccc2c2cccnc12 ZINC000823242349 599168304 /nfs/dbraw/zinc/16/83/04/599168304.db2.gz VNZULJOMUQSWTA-UHFFFAOYSA-N -1 3 398.401 3.637 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000738367021 599258049 /nfs/dbraw/zinc/25/80/49/599258049.db2.gz NNVHIEJZBVJTRS-OAHLLOKOSA-N -1 3 393.432 3.726 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3cccs3)cc(-c3nn[n-]n3)c2c1 ZINC000738367021 599258051 /nfs/dbraw/zinc/25/80/51/599258051.db2.gz NNVHIEJZBVJTRS-OAHLLOKOSA-N -1 3 393.432 3.726 20 5 GHBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736027042 598298624 /nfs/dbraw/zinc/29/86/24/598298624.db2.gz VWPULTWZLSZWRY-MRVPVSSYSA-N -1 3 394.222 3.692 20 5 GHBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736027042 598298626 /nfs/dbraw/zinc/29/86/26/598298626.db2.gz VWPULTWZLSZWRY-MRVPVSSYSA-N -1 3 394.222 3.692 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235278 598814252 /nfs/dbraw/zinc/81/42/52/598814252.db2.gz FOQAAYFINUYFEI-XHDPSFHLSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235278 598814254 /nfs/dbraw/zinc/81/42/54/598814254.db2.gz FOQAAYFINUYFEI-XHDPSFHLSA-N -1 3 380.408 3.660 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])s2)cs1 ZINC000822418887 599319421 /nfs/dbraw/zinc/31/94/21/599319421.db2.gz ICMDTHDNYLJHLA-UHFFFAOYSA-N -1 3 399.461 3.880 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])s2)cs1 ZINC000822418887 599319423 /nfs/dbraw/zinc/31/94/23/599319423.db2.gz ICMDTHDNYLJHLA-UHFFFAOYSA-N -1 3 399.461 3.880 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736961791 599443045 /nfs/dbraw/zinc/44/30/45/599443045.db2.gz LUWGRSWZFRJYJN-QFYYESIMSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736961791 599443048 /nfs/dbraw/zinc/44/30/48/599443048.db2.gz LUWGRSWZFRJYJN-QFYYESIMSA-N -1 3 388.815 3.616 20 5 GHBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820926196 599502359 /nfs/dbraw/zinc/50/23/59/599502359.db2.gz QOJOOHZMZAJYAO-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820926196 599502362 /nfs/dbraw/zinc/50/23/62/599502362.db2.gz QOJOOHZMZAJYAO-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820926197 599502819 /nfs/dbraw/zinc/50/28/19/599502819.db2.gz QOJOOHZMZAJYAO-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820926197 599502822 /nfs/dbraw/zinc/50/28/22/599502822.db2.gz QOJOOHZMZAJYAO-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000824649862 607447831 /nfs/dbraw/zinc/44/78/31/607447831.db2.gz NVYNULBLMXAFAU-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM CC(=O)c1ccc2cc(Oc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc2c1 ZINC000819835665 606402159 /nfs/dbraw/zinc/40/21/59/606402159.db2.gz YAEKOPMHCIUMJQ-UHFFFAOYSA-N -1 3 375.344 3.923 20 5 GHBDHM CC(=O)c1ccc2cc(Oc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc2c1 ZINC000819835665 606402161 /nfs/dbraw/zinc/40/21/61/606402161.db2.gz YAEKOPMHCIUMJQ-UHFFFAOYSA-N -1 3 375.344 3.923 20 5 GHBDHM Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228908 606427986 /nfs/dbraw/zinc/42/79/86/606427986.db2.gz IPAPYTWDTBEOSH-VIFPVBQESA-N -1 3 393.329 3.670 20 5 GHBDHM Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228908 606427988 /nfs/dbraw/zinc/42/79/88/606427988.db2.gz IPAPYTWDTBEOSH-VIFPVBQESA-N -1 3 393.329 3.670 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1cccc(-c2nnn[n-]2)c1 ZINC000823634196 606429622 /nfs/dbraw/zinc/42/96/22/606429622.db2.gz CKYOQOVOSULXSQ-UHFFFAOYSA-N -1 3 392.238 3.830 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000823634196 606429623 /nfs/dbraw/zinc/42/96/23/606429623.db2.gz CKYOQOVOSULXSQ-UHFFFAOYSA-N -1 3 392.238 3.830 20 5 GHBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1F ZINC000736138700 606593239 /nfs/dbraw/zinc/59/32/39/606593239.db2.gz OGRJYOGKTSADEI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1F ZINC000736138700 606593241 /nfs/dbraw/zinc/59/32/41/606593241.db2.gz OGRJYOGKTSADEI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826498343 608024065 /nfs/dbraw/zinc/02/40/65/608024065.db2.gz QKSGYGHXYSYPBR-UHFFFAOYSA-N -1 3 398.379 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826498343 608024066 /nfs/dbraw/zinc/02/40/66/608024066.db2.gz QKSGYGHXYSYPBR-UHFFFAOYSA-N -1 3 398.379 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000826498795 608077514 /nfs/dbraw/zinc/07/75/14/608077514.db2.gz KBVWAEBTUWYMJP-MRXNPFEDSA-N -1 3 391.391 3.648 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000826498795 608077515 /nfs/dbraw/zinc/07/75/15/608077515.db2.gz KBVWAEBTUWYMJP-MRXNPFEDSA-N -1 3 391.391 3.648 20 5 GHBDHM CCCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825348071 608160948 /nfs/dbraw/zinc/16/09/48/608160948.db2.gz BRMYWSUBNOUABB-UHFFFAOYSA-N -1 3 386.799 3.633 20 5 GHBDHM CCCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825348071 608160949 /nfs/dbraw/zinc/16/09/49/608160949.db2.gz BRMYWSUBNOUABB-UHFFFAOYSA-N -1 3 386.799 3.633 20 5 GHBDHM CC1(C)CCC(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824795603 608163161 /nfs/dbraw/zinc/16/31/61/608163161.db2.gz APKDNAYGZKANAF-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM CC1(C)CCC(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824795603 608163162 /nfs/dbraw/zinc/16/31/62/608163162.db2.gz APKDNAYGZKANAF-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H](c1ccccc1)C1CC1 ZINC000826450402 608312027 /nfs/dbraw/zinc/31/20/27/608312027.db2.gz KTKFIVQSOTWQSY-OAHLLOKOSA-N -1 3 398.810 3.561 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H](c1ccccc1)C1CC1 ZINC000826450402 608312030 /nfs/dbraw/zinc/31/20/30/608312030.db2.gz KTKFIVQSOTWQSY-OAHLLOKOSA-N -1 3 398.810 3.561 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497619 609150494 /nfs/dbraw/zinc/15/04/94/609150494.db2.gz NOJPWMYEOUKGPU-MRXNPFEDSA-N -1 3 394.439 3.576 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826497619 609150495 /nfs/dbraw/zinc/15/04/95/609150495.db2.gz NOJPWMYEOUKGPU-MRXNPFEDSA-N -1 3 394.439 3.576 20 5 GHBDHM Cc1sc2nc(C)nc(Sc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c2c1C ZINC000826327283 609549414 /nfs/dbraw/zinc/54/94/14/609549414.db2.gz ASESEQIEYTUYCI-UHFFFAOYSA-N -1 3 399.461 3.856 20 5 GHBDHM Cc1sc2nc(C)nc(Sc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c2c1C ZINC000826327283 609549415 /nfs/dbraw/zinc/54/94/15/609549415.db2.gz ASESEQIEYTUYCI-UHFFFAOYSA-N -1 3 399.461 3.856 20 5 GHBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869240 609597613 /nfs/dbraw/zinc/59/76/13/609597613.db2.gz ZJAXPKPTPHGGME-ONGXEEELSA-N -1 3 392.847 3.829 20 5 GHBDHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869240 609597615 /nfs/dbraw/zinc/59/76/15/609597615.db2.gz ZJAXPKPTPHGGME-ONGXEEELSA-N -1 3 392.847 3.829 20 5 GHBDHM O=C(CCc1cnc2ccccc2c1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000473399478 844327419 /nfs/dbraw/zinc/32/74/19/844327419.db2.gz QXZRECIJNWHHPK-UHFFFAOYSA-N -1 3 387.399 3.526 20 5 GHBDHM C[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000581369465 841180778 /nfs/dbraw/zinc/18/07/78/841180778.db2.gz BLIKPSBBQCGVLD-YJBOKZPZSA-N -1 3 383.448 3.905 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccn(Cc2ccccc2)c1 ZINC000542884078 844620145 /nfs/dbraw/zinc/62/01/45/844620145.db2.gz SQTTZDJNPVGSBS-UHFFFAOYSA-N -1 3 387.399 3.509 20 5 GHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000157305103 841795469 /nfs/dbraw/zinc/79/54/69/841795469.db2.gz SYOFHIFQZUQSPU-UHFFFAOYSA-N -1 3 387.417 3.598 20 5 GHBDHM Cc1cc2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000510661749 843150704 /nfs/dbraw/zinc/15/07/04/843150704.db2.gz JQFZJXQXVODOHP-UHFFFAOYSA-N -1 3 379.825 3.516 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000500584571 843670150 /nfs/dbraw/zinc/67/01/50/843670150.db2.gz AHKAINPUQUPEEE-ZDUSSCGKSA-N -1 3 382.445 3.835 20 5 GHBDHM COc1cc(CNCc2cccc(C)c2Br)c([N+](=O)[O-])cc1[O-] ZINC000190324241 844738635 /nfs/dbraw/zinc/73/86/35/844738635.db2.gz SWZQEBVQRJYLPB-UHFFFAOYSA-N -1 3 381.226 3.670 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000731528950 861681227 /nfs/dbraw/zinc/68/12/27/861681227.db2.gz RVVPAFAVSQHLRM-MRVPVSSYSA-N -1 3 391.380 3.979 20 5 GHBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001211546456 847331491 /nfs/dbraw/zinc/33/14/91/847331491.db2.gz JLHXERHWKVNDOL-CMPLNLGQSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278095071 849156171 /nfs/dbraw/zinc/15/61/71/849156171.db2.gz QMWRYZRUXCXSFE-UHFFFAOYSA-N -1 3 388.380 3.603 20 5 GHBDHM CC(C)N1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000550075066 851396921 /nfs/dbraw/zinc/39/69/21/851396921.db2.gz LYCMUFVWOLHUCM-ICSRJNTNSA-N -1 3 391.418 3.892 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000763984431 862264986 /nfs/dbraw/zinc/26/49/86/862264986.db2.gz CMKOIVGRCXXFEL-CYBMUJFWSA-N -1 3 379.372 3.775 20 5 GHBDHM COc1c(Cl)cc(Cl)cc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000426810578 852421659 /nfs/dbraw/zinc/42/16/59/852421659.db2.gz IXRONBVMZOUOIY-AWEZNQCLSA-N -1 3 399.230 3.696 20 5 GHBDHM O=c1[nH]c(-c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)nc2ccc([O-])cc21 ZINC000436910014 852475189 /nfs/dbraw/zinc/47/51/89/852475189.db2.gz MTXBPVDYCKQEIP-UHFFFAOYSA-N -1 3 375.340 3.996 20 5 GHBDHM CC([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000507490014 852970789 /nfs/dbraw/zinc/97/07/89/852970789.db2.gz FFJIYBZQIBATAG-UHFFFAOYSA-N -1 3 382.441 3.837 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC001212144999 853656473 /nfs/dbraw/zinc/65/64/73/853656473.db2.gz HCQYBFNINCCYLE-UKRRQHHQSA-N -1 3 395.868 3.648 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000572415292 854484638 /nfs/dbraw/zinc/48/46/38/854484638.db2.gz ZXOBTUBPAOBOOW-VBQJREDUSA-N -1 3 394.468 3.713 20 5 GHBDHM O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439053912 858178996 /nfs/dbraw/zinc/17/89/96/858178996.db2.gz XWMPPPOPYJJZQB-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM O=c1[n-]ccc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1[N+](=O)[O-] ZINC000596085434 858777698 /nfs/dbraw/zinc/77/76/98/858777698.db2.gz FGXDXVDUJJSUBW-UHFFFAOYSA-N -1 3 397.353 3.875 20 5 GHBDHM O=c1[n-]ccc(N2CCC(Oc3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000596191837 858802777 /nfs/dbraw/zinc/80/27/77/858802777.db2.gz HTYCLBDGWRXWLU-UHFFFAOYSA-N -1 3 394.225 3.506 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509391988 859282546 /nfs/dbraw/zinc/28/25/46/859282546.db2.gz MOZFUUZIXPDSSH-UHFFFAOYSA-N -1 3 390.339 3.753 20 5 GHBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000160911683 859365983 /nfs/dbraw/zinc/36/59/83/859365983.db2.gz MSUXAGAXLKRLFM-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1ccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)cc1C ZINC000484266434 859916152 /nfs/dbraw/zinc/91/61/52/859916152.db2.gz GNLQVMSUOSNKOM-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484792150 860351535 /nfs/dbraw/zinc/35/15/35/860351535.db2.gz WZGJHBHUSRCBGQ-VXGBXAGGSA-N -1 3 380.388 3.550 20 5 GHBDHM O=C(Nc1c([O-])cccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000552783278 866257627 /nfs/dbraw/zinc/25/76/27/866257627.db2.gz LVIKEMPDMXCTRS-UHFFFAOYSA-N -1 3 375.812 3.809 20 5 GHBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742302243 867185102 /nfs/dbraw/zinc/18/51/02/867185102.db2.gz VQHWUPHMJZSOOC-WDEREUQCSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1cc(C)c(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1C ZINC000444832526 867313193 /nfs/dbraw/zinc/31/31/93/867313193.db2.gz FYKGLVUHQLMLTB-UHFFFAOYSA-N -1 3 384.417 3.996 20 5 GHBDHM CCc1cccc(Cc2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)c1 ZINC000444851567 867369015 /nfs/dbraw/zinc/36/90/15/867369015.db2.gz BQGFHELHHMXDEC-UHFFFAOYSA-N -1 3 384.417 3.557 20 5 GHBDHM COC(=O)c1cccc(F)c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000446103312 869409054 /nfs/dbraw/zinc/40/90/54/869409054.db2.gz CUEAKNBQRUJQMF-UHFFFAOYSA-N -1 3 386.257 3.792 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(F)c(Cl)c1F ZINC000538686320 870345778 /nfs/dbraw/zinc/34/57/78/870345778.db2.gz APXJZYGWZQIBMO-UHFFFAOYSA-N -1 3 378.722 3.591 20 5 GHBDHM COc1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000446759506 870349364 /nfs/dbraw/zinc/34/93/64/870349364.db2.gz GDILLSFIAKXEMB-UHFFFAOYSA-N -1 3 391.232 3.852 20 5 GHBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030274 870884081 /nfs/dbraw/zinc/88/40/81/870884081.db2.gz UTXWQQSOLADMRT-NWDGAFQWSA-N -1 3 398.428 3.566 20 5 GHBDHM Cc1ccc(C(=O)NCc2cccnc2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224930 875586840 /nfs/dbraw/zinc/58/68/40/875586840.db2.gz WMCDBHKIDQJJSH-UHFFFAOYSA-N -1 3 378.388 3.677 20 5 GHBDHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786139072 876469417 /nfs/dbraw/zinc/46/94/17/876469417.db2.gz XITXKLOZNOZTPM-JTQLQIEISA-N -1 3 386.385 3.699 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000858840725 883393356 /nfs/dbraw/zinc/39/33/56/883393356.db2.gz CQKDQWAUMKWJFP-BYCMXARLSA-N -1 3 392.456 3.531 20 5 GHBDHM CSCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301066397 886212285 /nfs/dbraw/zinc/21/22/85/886212285.db2.gz ZTZKHXORVZRGKY-UHFFFAOYSA-N -1 3 395.506 3.787 20 5 GHBDHM COCCCn1c(=O)[n-]nc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951535 888017444 /nfs/dbraw/zinc/01/74/44/888017444.db2.gz KKOJRZPPVJUGLU-UHFFFAOYSA-N -1 3 393.252 3.528 20 5 GHBDHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000811395195 889536425 /nfs/dbraw/zinc/53/64/25/889536425.db2.gz YXIVLFNRPFNDOE-MRVPVSSYSA-N -1 3 393.808 3.975 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831439 890016483 /nfs/dbraw/zinc/01/64/83/890016483.db2.gz ANMYHTOEYHQUJY-UHFFFAOYSA-N -1 3 385.785 3.520 20 5 GHBDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000564971585 895336439 /nfs/dbraw/zinc/33/64/39/895336439.db2.gz AEGWAXYLKBSAMU-SFHVURJKSA-N -1 3 392.433 3.554 20 5 GHBDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823944187 899326192 /nfs/dbraw/zinc/32/61/92/899326192.db2.gz ZQCHQKYEFCEXNB-YRNVUSSQSA-N -1 3 398.810 3.779 20 5 GHBDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823944187 899326205 /nfs/dbraw/zinc/32/62/05/899326205.db2.gz ZQCHQKYEFCEXNB-YRNVUSSQSA-N -1 3 398.810 3.779 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(CSc3cccc(Cl)c3-c3nnn[n-]3)nc2c1 ZINC000826499813 901307046 /nfs/dbraw/zinc/30/70/46/901307046.db2.gz YPUOVAVUGHQINJ-UHFFFAOYSA-N -1 3 388.796 3.862 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(CSc3cccc(Cl)c3-c3nn[n-]n3)nc2c1 ZINC000826499813 901307052 /nfs/dbraw/zinc/30/70/52/901307052.db2.gz YPUOVAVUGHQINJ-UHFFFAOYSA-N -1 3 388.796 3.862 20 5 GHBDHM O=C([N-]N1CCCCC1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000185730836 907826053 /nfs/dbraw/zinc/82/60/53/907826053.db2.gz ONHMRTNNQGZUEJ-UHFFFAOYSA-N -1 3 377.466 3.534 20 5 GHBDHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000194662615 908908254 /nfs/dbraw/zinc/90/82/54/908908254.db2.gz KMMBHCOKMXRZPE-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179182061 909397748 /nfs/dbraw/zinc/39/77/48/909397748.db2.gz ASDBSQVOEPEGCF-SCSAIBSYSA-N -1 3 398.128 3.530 20 5 GHBDHM COc1ccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)cc1Cl ZINC001212973154 916166100 /nfs/dbraw/zinc/16/61/00/916166100.db2.gz SPXBIBJHBVEDTD-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM COc1c(C)cc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)cc1C ZINC001212973308 916169597 /nfs/dbraw/zinc/16/95/97/916169597.db2.gz VWMXRMRMILONIS-UHFFFAOYSA-N -1 3 383.286 3.679 20 5 GHBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001189321583 916552883 /nfs/dbraw/zinc/55/28/83/916552883.db2.gz RCUCHVCIWCQKEB-GHMZBOCLSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001190930077 917645044 /nfs/dbraw/zinc/64/50/44/917645044.db2.gz FEKYALBBDVNSEN-UHFFFAOYSA-N -1 3 390.795 3.627 20 5 GHBDHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000800930684 920614734 /nfs/dbraw/zinc/61/47/34/920614734.db2.gz QFIWMSQOCAHSAE-UHFFFAOYSA-N -1 3 382.825 3.888 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700333 923218860 /nfs/dbraw/zinc/21/88/60/923218860.db2.gz BRMSUHICJOQGNE-DGFSRKRXSA-N -1 3 383.242 3.575 20 5 GHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000782261284 931145433 /nfs/dbraw/zinc/14/54/33/931145433.db2.gz LWAQIWXEUVLOQU-KTKRTIGZSA-N -1 3 383.223 3.770 20 5 GHBDHM O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc([O-])c5ccccc45)no3)c1)OCCO2 ZINC000560086608 933055707 /nfs/dbraw/zinc/05/57/07/933055707.db2.gz MYNFKWQVDLIDRJ-UHFFFAOYSA-N -1 3 391.339 3.942 20 5 GHBDHM O=C([N-][C@H]1CCCOc2ccc(F)cc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777955306 934376671 /nfs/dbraw/zinc/37/66/71/934376671.db2.gz YGWHSMWKGMSRMN-HNNXBMFYSA-N -1 3 380.322 3.856 20 5 GHBDHM C[C@@](NCc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298048 994710093 /nfs/dbraw/zinc/71/00/93/994710093.db2.gz CXEXARPBUNQOPC-INIZCTEOSA-N -1 3 384.310 3.583 20 5 GHBDHM O=[N+]([O-])c1ccccc1[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227616401 1032487059 /nfs/dbraw/zinc/48/70/59/1032487059.db2.gz PCPFYVOJJDUKCX-HNNXBMFYSA-N -1 3 379.401 3.718 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC001228686671 1033044183 /nfs/dbraw/zinc/04/41/83/1033044183.db2.gz PYZMSKWSDHQQLP-FQEVSTJZSA-N -1 3 394.383 3.867 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc([N+](=O)[O-])ccc3Cl)nc2)n1 ZINC000756974925 1023894950 /nfs/dbraw/zinc/89/49/50/1023894950.db2.gz PBXQSMYKFLNQJS-UHFFFAOYSA-N -1 3 385.811 3.980 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001211477243 1027979055 /nfs/dbraw/zinc/97/90/55/1027979055.db2.gz RGZCUJISOLGYFW-CQSZACIVSA-N -1 3 380.388 3.693 20 5 GHBDHM C[NH2+][C@H]1C[C@H](Oc2cc([O-])c(CC=C(C)C)c3oc4c([O-])cccc4c(=O)c23)C1 ZINC001217956118 1030687182 /nfs/dbraw/zinc/68/71/82/1030687182.db2.gz JSSYOEGAIPLXFK-HDJSIYSDSA-N -1 3 395.455 3.995 20 5 GHBDHM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH2+]Cc5ccccc54)cc3c([O-])c1-2 ZINC001218488474 1030959062 /nfs/dbraw/zinc/95/90/62/1030959062.db2.gz XNSXNVUCCJJYCN-HXUWFJFHSA-N -1 3 375.380 3.581 20 5 GHBDHM O=c1cc[n-]c(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1[N+](=O)[O-] ZINC001225662987 1031528449 /nfs/dbraw/zinc/52/84/49/1031528449.db2.gz WVEBWXOBRPHRQI-UHFFFAOYSA-N -1 3 377.400 3.548 20 5 GHBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001225662987 1031528462 /nfs/dbraw/zinc/52/84/62/1031528462.db2.gz WVEBWXOBRPHRQI-UHFFFAOYSA-N -1 3 377.400 3.548 20 5 GHBDHM COCCCN1CCC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)CC1 ZINC001229514469 1033532185 /nfs/dbraw/zinc/53/21/85/1033532185.db2.gz IIOCHOOSYZTGSZ-UHFFFAOYSA-N -1 3 383.444 3.532 20 5 GHBDHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001208376263 1034875837 /nfs/dbraw/zinc/87/58/37/1034875837.db2.gz YGCDCHZWGUCXMC-AWEZNQCLSA-N -1 3 396.440 3.936 20 5 GHBDHM CCc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)c1 ZINC001160693542 1035038378 /nfs/dbraw/zinc/03/83/78/1035038378.db2.gz RBHLXUWIHZXCMC-UHFFFAOYSA-N -1 3 380.360 3.697 20 5 GHBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001209682514 1035354254 /nfs/dbraw/zinc/35/42/54/1035354254.db2.gz JGXOYTDZCGLTCG-MNOVXSKESA-N -1 3 398.428 3.566 20 5 GHBDHM CC(C)=CCc1c([O-])cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1CCN(C)C1 ZINC001234742415 1040268398 /nfs/dbraw/zinc/26/83/98/1040268398.db2.gz YESNJLNEJGAEJQ-HNNXBMFYSA-N -1 3 395.455 3.949 20 5 GHBDHM Cc1cccc(Oc2ncccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC001291823904 1043488175 /nfs/dbraw/zinc/48/81/75/1043488175.db2.gz OHIMSFYVMZRHFL-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC001309311856 1050582909 /nfs/dbraw/zinc/58/29/09/1050582909.db2.gz DOZJBMOJCIAMSN-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457499541 1063211998 /nfs/dbraw/zinc/21/19/98/1063211998.db2.gz LNPYMERFIXJHGG-UHFFFAOYSA-N -1 3 396.428 3.950 20 5 GHBDHM CCOc1cc([N-]C(=O)c2c3c(ccc2F)OCO3)c([N+](=O)[O-])cc1OCC ZINC001351101853 1064265594 /nfs/dbraw/zinc/26/55/94/1064265594.db2.gz AFROTKRUDKCZIV-UHFFFAOYSA-N -1 3 392.339 3.512 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)c(F)cc1[N+](=O)[O-] ZINC001464238856 1064922094 /nfs/dbraw/zinc/92/20/94/1064922094.db2.gz CPMAGOWGAXGZEU-CQSZACIVSA-N -1 3 384.816 3.662 20 5 GHBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[n-]n1 ZINC001472090377 1073330786 /nfs/dbraw/zinc/33/07/86/1073330786.db2.gz BFJRYHBTYNKHPY-UHFFFAOYSA-N -1 3 392.437 3.636 20 5 GHBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n[n-]1 ZINC001472090377 1073330791 /nfs/dbraw/zinc/33/07/91/1073330791.db2.gz BFJRYHBTYNKHPY-UHFFFAOYSA-N -1 3 392.437 3.636 20 5 GHBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001472558742 1073550344 /nfs/dbraw/zinc/55/03/44/1073550344.db2.gz RVZZVBDBQSIPSR-UHFFFAOYSA-N -1 3 395.350 3.837 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])s1 ZINC001475268542 1074813728 /nfs/dbraw/zinc/81/37/28/1074813728.db2.gz JKTMHOMPBMWAJM-JSGCOSHPSA-N -1 3 384.454 3.718 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1 ZINC000738369765 598829113 /nfs/dbraw/zinc/82/91/13/598829113.db2.gz NYJUMQYAWYWFBX-LBPRGKRZSA-N -1 3 392.206 3.576 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1 ZINC000738369765 598829114 /nfs/dbraw/zinc/82/91/14/598829114.db2.gz NYJUMQYAWYWFBX-LBPRGKRZSA-N -1 3 392.206 3.576 20 5 GHBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cc1cccs1 ZINC000820275273 599040463 /nfs/dbraw/zinc/04/04/63/599040463.db2.gz OMVDPZCOZHXGRZ-LLVKDONJSA-N -1 3 395.448 3.675 20 5 GHBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cc1cccs1 ZINC000820275273 599040465 /nfs/dbraw/zinc/04/04/65/599040465.db2.gz OMVDPZCOZHXGRZ-LLVKDONJSA-N -1 3 395.448 3.675 20 5 GHBDHM Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822084887 607281227 /nfs/dbraw/zinc/28/12/27/607281227.db2.gz RPWSXJOSNJQGIQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822084887 607281228 /nfs/dbraw/zinc/28/12/28/607281228.db2.gz RPWSXJOSNJQGIQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736480912 599268971 /nfs/dbraw/zinc/26/89/71/599268971.db2.gz OWTBRIBRBOPKMI-UHFFFAOYSA-N -1 3 386.843 3.841 20 5 GHBDHM Cc1cccc(-c2cccc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)c1 ZINC000737381515 598368620 /nfs/dbraw/zinc/36/86/20/598368620.db2.gz YDDWYZNABLSDGT-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1cccc(-c2cccc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)c1 ZINC000737381515 598368622 /nfs/dbraw/zinc/36/86/22/598368622.db2.gz YDDWYZNABLSDGT-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)o1 ZINC000736237481 598814062 /nfs/dbraw/zinc/81/40/62/598814062.db2.gz PNCPADHXDOPOBY-ABAIWWIYSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)o1 ZINC000736237481 598814063 /nfs/dbraw/zinc/81/40/63/598814063.db2.gz PNCPADHXDOPOBY-ABAIWWIYSA-N -1 3 380.408 3.660 20 5 GHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508813280 844060690 /nfs/dbraw/zinc/06/06/90/844060690.db2.gz QTTDCYROGODCQD-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000110166029 835873907 /nfs/dbraw/zinc/87/39/07/835873907.db2.gz ACZKGGPEJCIXJN-UHFFFAOYSA-N -1 3 389.216 3.557 20 5 GHBDHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cs2)o1 ZINC000103201693 838376660 /nfs/dbraw/zinc/37/66/60/838376660.db2.gz RIKPRMMWSIBIHE-UHFFFAOYSA-N -1 3 396.388 3.657 20 5 GHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151076565 844596932 /nfs/dbraw/zinc/59/69/32/844596932.db2.gz ZLLYWSXEWHQATC-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000600181298 861202974 /nfs/dbraw/zinc/20/29/74/861202974.db2.gz NPDBLSSSQJMOEK-UHFFFAOYSA-N -1 3 385.449 3.547 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000517923591 843700786 /nfs/dbraw/zinc/70/07/86/843700786.db2.gz PXAMGTZTOJGSNR-UHFFFAOYSA-N -1 3 380.731 3.775 20 5 GHBDHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000731785122 861892553 /nfs/dbraw/zinc/89/25/53/861892553.db2.gz POHISECRQBVOOL-UHFFFAOYSA-N -1 3 393.465 3.641 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000504119937 849917719 /nfs/dbraw/zinc/91/77/19/849917719.db2.gz OBWCHRFHKFDKCY-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM CCN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000550075167 851397339 /nfs/dbraw/zinc/39/73/39/851397339.db2.gz PUZJYDYAMMCOQE-VQIMIIECSA-N -1 3 395.381 3.643 20 5 GHBDHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000426829180 852442367 /nfs/dbraw/zinc/44/23/67/852442367.db2.gz NVRATVRPPVVDMI-HNNXBMFYSA-N -1 3 393.237 3.971 20 5 GHBDHM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507302455 852779864 /nfs/dbraw/zinc/77/98/64/852779864.db2.gz MGBUSGDOIZOUPR-YJBOKZPZSA-N -1 3 383.448 3.598 20 5 GHBDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000913299708 853211102 /nfs/dbraw/zinc/21/11/02/853211102.db2.gz QGPUKNRCFPPTQP-JTQLQIEISA-N -1 3 395.331 3.546 20 5 GHBDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000913299708 853211108 /nfs/dbraw/zinc/21/11/08/853211108.db2.gz QGPUKNRCFPPTQP-JTQLQIEISA-N -1 3 395.331 3.546 20 5 GHBDHM CSc1ccc([C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000572005158 854351251 /nfs/dbraw/zinc/35/12/51/854351251.db2.gz OFCBYVWPAYYYPJ-QGZVFWFLSA-N -1 3 375.450 3.730 20 5 GHBDHM COc1ccc(C(=O)[N-]c2nc(-c3sccc3C)ns2)cc1[N+](=O)[O-] ZINC000131645636 855223824 /nfs/dbraw/zinc/22/38/24/855223824.db2.gz NHBZPKNGQFDYFH-UHFFFAOYSA-N -1 3 376.419 3.744 20 5 GHBDHM CC(C)c1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1[N+](=O)[O-] ZINC000905751062 856508219 /nfs/dbraw/zinc/50/82/19/856508219.db2.gz VDEADGCBDMNPBO-CYBMUJFWSA-N -1 3 375.450 3.862 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])c(F)cc1F ZINC000485732947 857006855 /nfs/dbraw/zinc/00/68/55/857006855.db2.gz LMDOFMMWRPFYHW-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000521328629 857860669 /nfs/dbraw/zinc/86/06/69/857860669.db2.gz FEGIGIUNGSUQRT-UHFFFAOYSA-N -1 3 393.399 3.707 20 5 GHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC000442930612 858237956 /nfs/dbraw/zinc/23/79/56/858237956.db2.gz FFPWJOFGQZWCDT-UHFFFAOYSA-N -1 3 393.277 4.000 20 5 GHBDHM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1C ZINC000522028462 858547810 /nfs/dbraw/zinc/54/78/10/858547810.db2.gz RTPHRBMCSOGJRK-UHFFFAOYSA-N -1 3 378.450 3.946 20 5 GHBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000596215695 858818069 /nfs/dbraw/zinc/81/80/69/858818069.db2.gz GRDRZLJMBCJVHM-MGCOHNPYSA-N -1 3 382.189 3.955 20 5 GHBDHM O=c1[n-]ccc(N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596239670 858826156 /nfs/dbraw/zinc/82/61/56/858826156.db2.gz JIEWOOSXELZXIX-LBPRGKRZSA-N -1 3 378.226 3.527 20 5 GHBDHM CCCOc1cc(C)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499168299 881362110 /nfs/dbraw/zinc/36/21/10/881362110.db2.gz OUGDBCASFVUIGJ-UHFFFAOYSA-N -1 3 378.450 3.676 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000543374745 859478655 /nfs/dbraw/zinc/47/86/55/859478655.db2.gz QDKPPXXCZDKBEC-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000598680901 860499809 /nfs/dbraw/zinc/49/98/09/860499809.db2.gz IQWDOFYLTQCGNW-YOEHRIQHSA-N -1 3 376.363 3.561 20 5 GHBDHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000608887100 865818213 /nfs/dbraw/zinc/81/82/13/865818213.db2.gz RDHUFOQUBGPHQX-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM O=C(Nc1ccccc1COCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444873423 867372812 /nfs/dbraw/zinc/37/28/12/867372812.db2.gz NKYBKCKVZFKGRQ-UHFFFAOYSA-N -1 3 379.372 3.665 20 5 GHBDHM Cc1ccc(-c2nc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cs2)o1 ZINC000523549271 867511825 /nfs/dbraw/zinc/51/18/25/867511825.db2.gz AWYKMBHWJVGSGX-UHFFFAOYSA-N -1 3 395.400 3.684 20 5 GHBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000445199619 867939285 /nfs/dbraw/zinc/93/92/85/867939285.db2.gz YLTRWFVOQRIJJW-UHFFFAOYSA-N -1 3 392.371 3.508 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618604743 871762112 /nfs/dbraw/zinc/76/21/12/871762112.db2.gz RHFFZGZALQTLAQ-UHFFFAOYSA-N -1 3 390.339 3.744 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000182691787 872675812 /nfs/dbraw/zinc/67/58/12/872675812.db2.gz PQMPKDNPBQNFJF-UHFFFAOYSA-N -1 3 383.330 3.963 20 5 GHBDHM CCOc1ccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)cc1[N+](=O)[O-] ZINC000109109241 873301738 /nfs/dbraw/zinc/30/17/38/873301738.db2.gz YTMWZFZEJBBKIR-UHFFFAOYSA-N -1 3 376.419 3.826 20 5 GHBDHM COC(=O)c1cc(OC)c(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224885 875586911 /nfs/dbraw/zinc/58/69/11/875586911.db2.gz VHTVKVDVGBGNOM-UHFFFAOYSA-N -1 3 397.181 3.602 20 5 GHBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000786032573 876417945 /nfs/dbraw/zinc/41/79/45/876417945.db2.gz DLXGFRIWCIGVIS-MRVPVSSYSA-N -1 3 377.740 3.507 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000609824982 883700111 /nfs/dbraw/zinc/70/01/11/883700111.db2.gz TWNCMYVHUGFQQW-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nc21 ZINC001127331839 885211817 /nfs/dbraw/zinc/21/18/17/885211817.db2.gz VDOGWFQSMNWBIF-UHFFFAOYSA-N -1 3 396.403 3.808 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395207 889535880 /nfs/dbraw/zinc/53/58/80/889535880.db2.gz ZGIFAZWIUDHYEX-UHFFFAOYSA-N -1 3 393.808 3.895 20 5 GHBDHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122865862 890161708 /nfs/dbraw/zinc/16/17/08/890161708.db2.gz FOSHPPFRRMYRLW-UHFFFAOYSA-N -1 3 379.398 3.521 20 5 GHBDHM O=C([O-])/C=C/c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062728 890897951 /nfs/dbraw/zinc/89/79/51/890897951.db2.gz WHSMNWRMVORNSG-CKDFRHGISA-N -1 3 381.432 3.769 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nc(C)cs1 ZINC000123980224 891207552 /nfs/dbraw/zinc/20/75/52/891207552.db2.gz PWROQOUTNFRAEC-LLVKDONJSA-N -1 3 389.886 3.751 20 5 GHBDHM O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1nc2cccnc2s1 ZINC000813402452 891581053 /nfs/dbraw/zinc/58/10/53/891581053.db2.gz LMFIDAQQHXODHB-UHFFFAOYSA-N -1 3 379.195 3.614 20 5 GHBDHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000917900443 892765826 /nfs/dbraw/zinc/76/58/26/892765826.db2.gz KDPYIXMNDJUKNM-JTQLQIEISA-N -1 3 389.260 3.811 20 5 GHBDHM O=c1nc(CSc2ncccc2[N+](=O)[O-])[n-]c2scc(-c3ccco3)c21 ZINC000194661480 893779394 /nfs/dbraw/zinc/77/93/94/893779394.db2.gz ZYVDTROOCLSGKC-UHFFFAOYSA-N -1 3 386.414 3.840 20 5 GHBDHM O=C(Nc1ccc(OC(=O)c2cccc([O-])c2F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001135676748 895031657 /nfs/dbraw/zinc/03/16/57/895031657.db2.gz GCKIVCIQKJKGTH-UHFFFAOYSA-N -1 3 396.330 3.911 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000131469274 897471102 /nfs/dbraw/zinc/47/11/02/897471102.db2.gz KURPTXQYTJTHLD-UHFFFAOYSA-N -1 3 395.272 3.586 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc([N+](=O)[O-])c1F ZINC000132654232 897860594 /nfs/dbraw/zinc/86/05/94/897860594.db2.gz HUDLGOILLMLYRW-UHFFFAOYSA-N -1 3 385.392 3.803 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000884150446 899090774 /nfs/dbraw/zinc/09/07/74/899090774.db2.gz MADDFXPZPSSCPQ-UHFFFAOYSA-N -1 3 396.730 3.948 20 5 GHBDHM CCC[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844213430 900608473 /nfs/dbraw/zinc/60/84/73/900608473.db2.gz XXISLSRBOYCBBT-LJQANCHMSA-N -1 3 397.475 3.713 20 5 GHBDHM CC(C)C1CCC(N2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000844212257 900608545 /nfs/dbraw/zinc/60/85/45/900608545.db2.gz TVSSMUOROSVBMY-UHFFFAOYSA-N -1 3 389.496 3.559 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc(Cl)c(F)c3)no2)c1Br ZINC001212837407 903526628 /nfs/dbraw/zinc/52/66/28/903526628.db2.gz JXBNNCZMSHIWMU-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc(Cl)c(F)c3)no2)c1Br ZINC001212837407 903526632 /nfs/dbraw/zinc/52/66/32/903526632.db2.gz JXBNNCZMSHIWMU-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1ccc2cccc(-c3noc(-c4[n-]nc(C(F)(F)F)c4[N+](=O)[O-])n3)c2n1 ZINC001212972953 916164505 /nfs/dbraw/zinc/16/45/05/916164505.db2.gz NZCOTZJZRSJVQO-UHFFFAOYSA-N -1 3 390.281 3.910 20 5 GHBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001189321584 916553016 /nfs/dbraw/zinc/55/30/16/916553016.db2.gz RCUCHVCIWCQKEB-MNOVXSKESA-N -1 3 391.287 3.604 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001189382948 916578691 /nfs/dbraw/zinc/57/86/91/916578691.db2.gz AZCJWAYARZFEGC-CABCVRRESA-N -1 3 394.880 3.938 20 5 GHBDHM COc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)ccc1[N+](=O)[O-] ZINC000544630994 929366473 /nfs/dbraw/zinc/36/64/73/929366473.db2.gz SKQFXBYMUQHRAS-UHFFFAOYSA-N -1 3 392.767 3.995 20 5 GHBDHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000753953013 929609936 /nfs/dbraw/zinc/60/99/36/929609936.db2.gz FDKSICZNAWQUNV-UHFFFAOYSA-N -1 3 398.824 3.616 20 5 GHBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001575118764 951985842 /nfs/dbraw/zinc/98/58/42/951985842.db2.gz SUJMKZLLFJWPKD-JTQLQIEISA-N -1 3 381.421 3.600 20 5 GHBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001575118764 951985848 /nfs/dbraw/zinc/98/58/48/951985848.db2.gz SUJMKZLLFJWPKD-JTQLQIEISA-N -1 3 381.421 3.600 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001598507346 992523404 /nfs/dbraw/zinc/52/34/04/992523404.db2.gz OAKMFPONPNCOFL-FXAWDEMLSA-N -1 3 384.432 3.893 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])c2[n-]cnc21 ZINC001227695248 1032519529 /nfs/dbraw/zinc/51/95/29/1032519529.db2.gz NDCLBZIXKCUCMM-SFHVURJKSA-N -1 3 391.343 3.943 20 5 GHBDHM Cc1c([O-])ccc2c(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cc(=O)oc12 ZINC000777937673 1017874533 /nfs/dbraw/zinc/87/45/33/1017874533.db2.gz UWEMIRZBAREWBQ-UHFFFAOYSA-N -1 3 377.356 3.627 20 5 GHBDHM C[C@@H](COc1ccc(F)cc1F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777954799 1017925650 /nfs/dbraw/zinc/92/56/50/1017925650.db2.gz DJYJOYBBADAEAM-JTQLQIEISA-N -1 3 386.301 3.549 20 5 GHBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155274 1032812335 /nfs/dbraw/zinc/81/23/35/1032812335.db2.gz RESVFSHFJXXDGZ-ZDUSSCGKSA-N -1 3 381.388 3.504 20 5 GHBDHM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689309 1033047964 /nfs/dbraw/zinc/04/79/64/1033047964.db2.gz QZHGLOFINSHCQV-OCCSQVGLSA-N -1 3 381.429 3.562 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1scnc1Br ZINC000754123016 1022498495 /nfs/dbraw/zinc/49/84/95/1022498495.db2.gz JIVXNMMDQASPHT-UHFFFAOYSA-N -1 3 394.153 3.668 20 5 GHBDHM CN(C)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)cc1 ZINC001139071669 1025873665 /nfs/dbraw/zinc/87/36/65/1025873665.db2.gz FQTSRFLCCDYTKS-CQSZACIVSA-N -1 3 398.246 3.640 20 5 GHBDHM O=C1c2ccccc2[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])N1Cc1ccccc1 ZINC001163722068 1026294494 /nfs/dbraw/zinc/29/44/94/1026294494.db2.gz SDNAGJUJWNTKGK-GOSISDBHSA-N -1 3 390.399 3.505 20 5 GHBDHM CCc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001213653175 1028312018 /nfs/dbraw/zinc/31/20/18/1028312018.db2.gz ITQMHQAUZUINNA-UHFFFAOYSA-N -1 3 388.420 3.928 20 5 GHBDHM COCc1cc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001225937469 1031703192 /nfs/dbraw/zinc/70/31/92/1031703192.db2.gz HEWWGRSAVQTBAK-GOSISDBHSA-N -1 3 383.429 3.988 20 5 GHBDHM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC001159256170 1034505399 /nfs/dbraw/zinc/50/53/99/1034505399.db2.gz BHMHFKUHRRKCSD-UHFFFAOYSA-N -1 3 397.475 3.817 20 5 GHBDHM CCOC(=O)[C@H](C)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233497042 1039391725 /nfs/dbraw/zinc/39/17/25/1039391725.db2.gz DLXONGBDOCVOTD-KSBSHMNSSA-N -1 3 395.721 3.633 20 5 GHBDHM C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233498291 1039393276 /nfs/dbraw/zinc/39/32/76/1039393276.db2.gz LLRZACMIOGOBCB-SECBINFHSA-N -1 3 396.831 3.759 20 5 GHBDHM C[C@@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001462609123 1070411191 /nfs/dbraw/zinc/41/11/91/1070411191.db2.gz KQNDWGVISRPPAG-ZCFIWIBFSA-N -1 3 383.252 3.601 20 5 GHBDHM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001292563181 1043788907 /nfs/dbraw/zinc/78/89/07/1043788907.db2.gz PXFHPEMINKZVBZ-IBGZPJMESA-N -1 3 397.475 3.817 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC001462804630 1070557145 /nfs/dbraw/zinc/55/71/45/1070557145.db2.gz GYUJMBOUCKOMSC-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309178286 1050435696 /nfs/dbraw/zinc/43/56/96/1050435696.db2.gz XYOGXXUTDASCBM-CYBMUJFWSA-N -1 3 388.898 3.918 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Cl)cc23)c([N+](=O)[O-])s1 ZINC001309279101 1050549229 /nfs/dbraw/zinc/54/92/29/1050549229.db2.gz NWELPHPQBJPJAQ-UHFFFAOYSA-N -1 3 399.881 3.620 20 5 GHBDHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001445652521 1059588264 /nfs/dbraw/zinc/58/82/64/1059588264.db2.gz DZHHNWNRGFHPKN-UHFFFAOYSA-N -1 3 397.818 3.895 20 5 GHBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC001436386494 1063422743 /nfs/dbraw/zinc/42/27/43/1063422743.db2.gz NOXGNQFUMXYBEJ-UHFFFAOYSA-N -1 3 391.309 3.755 20 5 GHBDHM COc1cc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])cc1OC ZINC001458258988 1063701560 /nfs/dbraw/zinc/70/15/60/1063701560.db2.gz HNYDUNFROMCWPE-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458457559 1063821426 /nfs/dbraw/zinc/82/14/26/1063821426.db2.gz PNQUVXBAMCIIER-ZJUUUORDSA-N -1 3 398.341 3.789 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)n1 ZINC001350607081 1064139523 /nfs/dbraw/zinc/13/95/23/1064139523.db2.gz MHQDIUNYWHXMLC-UHFFFAOYSA-N -1 3 382.351 3.711 20 5 GHBDHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001352541812 1065114461 /nfs/dbraw/zinc/11/44/61/1065114461.db2.gz SEUADORKOMVLQD-UHFFFAOYSA-N -1 3 386.282 3.929 20 5 GHBDHM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C1 ZINC001472536653 1073538263 /nfs/dbraw/zinc/53/82/63/1073538263.db2.gz IFPZSBYDSQPNJS-VIFPVBQESA-N -1 3 376.438 3.555 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001474969794 1074659469 /nfs/dbraw/zinc/65/94/69/1074659469.db2.gz OBBMBTXTBZMFKQ-GMXVVIOVSA-N -1 3 392.399 3.861 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC000026837240 207318699 /nfs/dbraw/zinc/31/86/99/207318699.db2.gz NZEBFTRGTPHAQG-UHFFFAOYSA-N -1 3 390.461 3.608 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000738361691 599269702 /nfs/dbraw/zinc/26/97/02/599269702.db2.gz YIFMKDDJFJJPJA-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000738361691 599269705 /nfs/dbraw/zinc/26/97/05/599269705.db2.gz YIFMKDDJFJJPJA-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000737355951 598426626 /nfs/dbraw/zinc/42/66/26/598426626.db2.gz BRFXLYRGDUJCQB-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000737355951 598426628 /nfs/dbraw/zinc/42/66/28/598426628.db2.gz BRFXLYRGDUJCQB-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737463990 598458796 /nfs/dbraw/zinc/45/87/96/598458796.db2.gz BJBQQKSIESAAFB-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737463990 598458798 /nfs/dbraw/zinc/45/87/98/598458798.db2.gz BJBQQKSIESAAFB-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nc(C)cs1 ZINC000820925694 599528953 /nfs/dbraw/zinc/52/89/53/599528953.db2.gz KOOYLXLSYXZMFB-CYBMUJFWSA-N -1 3 396.436 3.651 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1nc(C)cs1 ZINC000820925694 599528954 /nfs/dbraw/zinc/52/89/54/599528954.db2.gz KOOYLXLSYXZMFB-CYBMUJFWSA-N -1 3 396.436 3.651 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2cc(-c3nnn[n-]3)cs2)c2ccncc2)cc1 ZINC000823634721 606305392 /nfs/dbraw/zinc/30/53/92/606305392.db2.gz KMLIQXJBDMYBRZ-YVLHZVERSA-N -1 3 376.401 3.820 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2cc(-c3nn[n-]n3)cs2)c2ccncc2)cc1 ZINC000823634721 606305393 /nfs/dbraw/zinc/30/53/93/606305393.db2.gz KMLIQXJBDMYBRZ-YVLHZVERSA-N -1 3 376.401 3.820 20 5 GHBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555370 606354749 /nfs/dbraw/zinc/35/47/49/606354749.db2.gz JZOQDISOLIBQKA-RYUDHWBXSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555370 606354750 /nfs/dbraw/zinc/35/47/50/606354750.db2.gz JZOQDISOLIBQKA-RYUDHWBXSA-N -1 3 399.432 3.560 20 5 GHBDHM CCS[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456295 606400969 /nfs/dbraw/zinc/40/09/69/606400969.db2.gz OWIQNWVMZLAUGY-WCQYABFASA-N -1 3 399.480 3.799 20 5 GHBDHM CCS[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456295 606400970 /nfs/dbraw/zinc/40/09/70/606400970.db2.gz OWIQNWVMZLAUGY-WCQYABFASA-N -1 3 399.480 3.799 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000824648429 608416107 /nfs/dbraw/zinc/41/61/07/608416107.db2.gz GABUVAFGKNBUIK-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000824648429 608416108 /nfs/dbraw/zinc/41/61/08/608416108.db2.gz GABUVAFGKNBUIK-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000553906676 609138924 /nfs/dbraw/zinc/13/89/24/609138924.db2.gz HQXQDRMMIJDWPF-UHFFFAOYSA-N -1 3 398.448 3.919 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000553906676 609138926 /nfs/dbraw/zinc/13/89/26/609138926.db2.gz HQXQDRMMIJDWPF-UHFFFAOYSA-N -1 3 398.448 3.919 20 5 GHBDHM COc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826181239 609437498 /nfs/dbraw/zinc/43/74/98/609437498.db2.gz QRHHRCICOTWSND-UHFFFAOYSA-N -1 3 384.396 3.659 20 5 GHBDHM COc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826181239 609437501 /nfs/dbraw/zinc/43/75/01/609437501.db2.gz QRHHRCICOTWSND-UHFFFAOYSA-N -1 3 384.396 3.659 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)c1 ZINC000120094174 834451872 /nfs/dbraw/zinc/45/18/72/834451872.db2.gz ASUYFMVNLABFQP-UHFFFAOYSA-N -1 3 377.241 3.528 20 5 GHBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000473414003 844384801 /nfs/dbraw/zinc/38/48/01/844384801.db2.gz SSPWTKJZHGGDFC-UHFFFAOYSA-N -1 3 391.359 3.534 20 5 GHBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n[nH]2)cc1 ZINC000181781017 841712663 /nfs/dbraw/zinc/71/26/63/841712663.db2.gz SOMGDCOJLPACAD-UHFFFAOYSA-N -1 3 389.318 3.542 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000185772325 861302698 /nfs/dbraw/zinc/30/26/98/861302698.db2.gz KFVQDPOQKQERSG-LBPRGKRZSA-N -1 3 389.458 3.758 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F ZINC000511927915 842444115 /nfs/dbraw/zinc/44/41/15/842444115.db2.gz RSHIMNJNBXDZPG-SECBINFHSA-N -1 3 392.330 3.792 20 5 GHBDHM COc1ccc([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000572527571 843731139 /nfs/dbraw/zinc/73/11/39/843731139.db2.gz CGCPENUVAUQUDE-FQEVSTJZSA-N -1 3 399.447 3.941 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000501165381 846696388 /nfs/dbraw/zinc/69/63/88/846696388.db2.gz QJHJMISUEHHOEE-UHFFFAOYSA-N -1 3 375.450 3.977 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c1[N+](=O)[O-] ZINC000420732247 847392253 /nfs/dbraw/zinc/39/22/53/847392253.db2.gz GKQCRFSZHJNLSH-AWEZNQCLSA-N -1 3 384.404 3.886 20 5 GHBDHM Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910373631 851163248 /nfs/dbraw/zinc/16/32/48/851163248.db2.gz PQRQMENZHXREBT-INIZCTEOSA-N -1 3 377.828 3.970 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1csc([N+](=O)[O-])c1 ZINC000490611021 853135178 /nfs/dbraw/zinc/13/51/78/853135178.db2.gz RQWZHUGJCBNUJL-UHFFFAOYSA-N -1 3 383.311 3.713 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCSc2ccccc21 ZINC000439150147 853324033 /nfs/dbraw/zinc/32/40/33/853324033.db2.gz GKLSFIRQJRGUMM-OAHLLOKOSA-N -1 3 380.429 3.625 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@H]12 ZINC000594733666 858267659 /nfs/dbraw/zinc/26/76/59/858267659.db2.gz BDLLSILEYKEAHK-KURKYZTESA-N -1 3 385.420 3.715 20 5 GHBDHM O=c1[n-]ccc(N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1[N+](=O)[O-] ZINC000596122197 858784924 /nfs/dbraw/zinc/78/49/24/858784924.db2.gz JYKMBFVSTXGSTG-ZDUSSCGKSA-N -1 3 388.182 3.719 20 5 GHBDHM CC(C)(C)O[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000611095802 859608363 /nfs/dbraw/zinc/60/83/63/859608363.db2.gz KLPSKOLDQIOGLH-IBGZPJMESA-N -1 3 394.431 3.902 20 5 GHBDHM O=C([N-]c1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])o1 ZINC000598454068 860319415 /nfs/dbraw/zinc/31/94/15/860319415.db2.gz UIKOMVMCLGBZAL-SNVBAGLBSA-N -1 3 378.768 3.703 20 5 GHBDHM C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599175584 860881418 /nfs/dbraw/zinc/88/14/18/860881418.db2.gz DRXASSGNBAEVLZ-CMPLNLGQSA-N -1 3 378.226 3.840 20 5 GHBDHM O=C([N-]c1nc2cc(F)c(Br)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000481292041 860980367 /nfs/dbraw/zinc/98/03/67/860980367.db2.gz XEAJUCMVZGNPCK-UHFFFAOYSA-N -1 3 386.158 3.951 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1 ZINC000444283646 863816242 /nfs/dbraw/zinc/81/62/42/863816242.db2.gz ZWCJYUFCJSIURX-LURJTMIESA-N -1 3 397.297 3.520 20 5 GHBDHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000609201359 881710959 /nfs/dbraw/zinc/71/09/59/881710959.db2.gz FYPLWUVDTNAKKC-GFCCVEGCSA-N -1 3 398.444 3.535 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000523164606 866816400 /nfs/dbraw/zinc/81/64/00/866816400.db2.gz XIRUYKSORLUIBK-CVEARBPZSA-N -1 3 382.807 3.802 20 5 GHBDHM CCc1ccc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)s1 ZINC000444826379 867273310 /nfs/dbraw/zinc/27/33/10/867273310.db2.gz MKWPFKJPQQGUET-UHFFFAOYSA-N -1 3 376.419 3.695 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)[n-]1 ZINC000463186533 871121298 /nfs/dbraw/zinc/12/12/98/871121298.db2.gz UZEXSQQLKSDBPL-UHFFFAOYSA-N -1 3 379.361 3.640 20 5 GHBDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001195471576 872426937 /nfs/dbraw/zinc/42/69/37/872426937.db2.gz GFAQZLINGJUGQV-LLVKDONJSA-N -1 3 392.408 3.871 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000153139901 876341129 /nfs/dbraw/zinc/34/11/29/876341129.db2.gz KNGBWYDQCXVBCT-UHFFFAOYSA-N -1 3 385.243 3.804 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)c(Cl)c1 ZINC000520362683 881080049 /nfs/dbraw/zinc/08/00/49/881080049.db2.gz OTZDTQVOTLOCKR-UHFFFAOYSA-N -1 3 392.820 3.987 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000192577714 886682915 /nfs/dbraw/zinc/68/29/15/886682915.db2.gz PSCKOJSYKGDIMR-UHFFFAOYSA-N -1 3 380.408 3.633 20 5 GHBDHM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193574646 886848490 /nfs/dbraw/zinc/84/84/90/886848490.db2.gz RTSAAXCTMVZECN-UHFFFAOYSA-N -1 3 394.318 3.895 20 5 GHBDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001184533769 913268366 /nfs/dbraw/zinc/26/83/66/913268366.db2.gz HPWDWVIAIDDMEH-NSHDSACASA-N -1 3 393.303 3.850 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)ccc1Cl ZINC000747621129 888718126 /nfs/dbraw/zinc/71/81/26/888718126.db2.gz NBFHDDNZFAKSKV-UHFFFAOYSA-N -1 3 383.159 3.981 20 5 GHBDHM CCOC(=O)/C(=C\c1cc([O-])ccc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000794951449 889027947 /nfs/dbraw/zinc/02/79/47/889027947.db2.gz YJTHRHFEIPOCJF-JYRVWZFOSA-N -1 3 393.193 3.562 20 5 GHBDHM COc1cc(CNCc2cc(C(F)(F)F)cc(Cl)n2)c([N+](=O)[O-])cc1[O-] ZINC000873169985 891497213 /nfs/dbraw/zinc/49/72/13/891497213.db2.gz QYJNYAXLGUUKQT-UHFFFAOYSA-N -1 3 391.733 3.666 20 5 GHBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001185251460 913760817 /nfs/dbraw/zinc/76/08/17/913760817.db2.gz IIPDUQZEPJYBIV-OAHLLOKOSA-N -1 3 382.869 3.966 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000566885589 896665440 /nfs/dbraw/zinc/66/54/40/896665440.db2.gz YBKWMNLTWSZLNC-UHFFFAOYSA-N -1 3 394.225 3.947 20 5 GHBDHM Cc1c(Br)ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1F ZINC001212937180 911786096 /nfs/dbraw/zinc/78/60/96/911786096.db2.gz RTTYWFMLTBQIDY-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)cc([N+](=O)[O-])c1 ZINC000303651954 915030823 /nfs/dbraw/zinc/03/08/23/915030823.db2.gz BIGNDUOKTJXSTO-UHFFFAOYSA-N -1 3 387.373 3.659 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001187209976 915120369 /nfs/dbraw/zinc/12/03/69/915120369.db2.gz RUHBXMBNLASIHY-GOEBONIOSA-N -1 3 394.880 3.938 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])s1 ZINC001188328948 915890755 /nfs/dbraw/zinc/89/07/55/915890755.db2.gz RMPRROWAHFAKAM-QMMMGPOBSA-N -1 3 378.834 3.797 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4cnccc4c3)no2)[n-]nc1C(F)(F)F ZINC001212972942 916164281 /nfs/dbraw/zinc/16/42/81/916164281.db2.gz NBQVOLADIMUOSX-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc4c3CCCC4)no2)[n-]nc1C(F)(F)F ZINC001212973374 916169347 /nfs/dbraw/zinc/16/93/47/916169347.db2.gz YUECJNCMJXZERG-UHFFFAOYSA-N -1 3 379.298 3.933 20 5 GHBDHM CC(C)(C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000560273923 933177461 /nfs/dbraw/zinc/17/74/61/933177461.db2.gz SQDYMVOPXGNHPY-UHFFFAOYSA-N -1 3 386.358 3.601 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC(n2cc([N-]c3ncc([N+](=O)[O-])s3)cn2)CC1 ZINC000799953241 933186869 /nfs/dbraw/zinc/18/68/69/933186869.db2.gz ZZCSOVTVNFUEKW-UHFFFAOYSA-N -1 3 394.457 3.563 20 5 GHBDHM COc1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-] ZINC001137759640 935775209 /nfs/dbraw/zinc/77/52/09/935775209.db2.gz DPFMWWLXDWKUKD-UHFFFAOYSA-N -1 3 394.409 3.659 20 5 GHBDHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575191466 952467076 /nfs/dbraw/zinc/46/70/76/952467076.db2.gz XCXLAILXLMWIGB-JTQLQIEISA-N -1 3 392.341 3.837 20 5 GHBDHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575191466 952467081 /nfs/dbraw/zinc/46/70/81/952467081.db2.gz XCXLAILXLMWIGB-JTQLQIEISA-N -1 3 392.341 3.837 20 5 GHBDHM COc1cc(O[C@H]2CCCC[C@@H]2OC)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641591 1032498077 /nfs/dbraw/zinc/49/80/77/1032498077.db2.gz PPYLROGDTAUTSI-GJZGRUSLSA-N -1 3 386.400 3.702 20 5 GHBDHM Cc1cc2[n-]c(OC3CC4(C3)CN(C(=O)OC(C)(C)C)C4)nc2cc1[N+](=O)[O-] ZINC001228670824 1033035631 /nfs/dbraw/zinc/03/56/31/1033035631.db2.gz BOZRAXKXCXACRC-UHFFFAOYSA-N -1 3 388.424 3.558 20 5 GHBDHM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000831834506 1024921825 /nfs/dbraw/zinc/92/18/25/1024921825.db2.gz IJSOGGHFSCIGEU-UHFFFAOYSA-N -1 3 389.383 3.948 20 5 GHBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001149789165 1030305294 /nfs/dbraw/zinc/30/52/94/1030305294.db2.gz IMVOJBDEPAFGCM-UHFFFAOYSA-N -1 3 397.218 3.595 20 5 GHBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001225667080 1031532690 /nfs/dbraw/zinc/53/26/90/1031532690.db2.gz PACBCBFGFDBEDI-UHFFFAOYSA-N -1 3 383.326 3.762 20 5 GHBDHM COc1c([O-])ccc(CN2CCN(CC(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC001205360187 1033377219 /nfs/dbraw/zinc/37/72/19/1033377219.db2.gz NTZRRRYUFVHZCK-UHFFFAOYSA-N -1 3 397.353 3.698 20 5 GHBDHM COc1c([O-])ccc(CN[C@@H](C)c2nc(C3CCCCC3)no2)c1[N+](=O)[O-] ZINC001205650083 1033511715 /nfs/dbraw/zinc/51/17/15/1033511715.db2.gz CRVOJCAUEZJAHM-NSHDSACASA-N -1 3 376.413 3.591 20 5 GHBDHM O=c1nc2c(c(O[C@H](c3ccccc3)c3ccccc3[N+](=O)[O-])[n-]1)SCC2 ZINC001230791386 1034226698 /nfs/dbraw/zinc/22/66/98/1034226698.db2.gz CBNDWMBOYXFBII-MRXNPFEDSA-N -1 3 381.413 3.907 20 5 GHBDHM CCOC(=O)c1ccc(OC(=C([O-])c2ccco2)c2ccco2)cc1[N+](=O)[O-] ZINC001230912993 1034284327 /nfs/dbraw/zinc/28/43/27/1034284327.db2.gz OIHINSSAYIFCGD-SFHVURJKSA-N -1 3 385.328 3.961 20 5 GHBDHM COc1cccc2c1nc(=O)[n-]c2O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001231347131 1034530679 /nfs/dbraw/zinc/53/06/79/1034530679.db2.gz HMVMOBMRPXXRKW-AWEZNQCLSA-N -1 3 395.293 3.935 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001247999702 1038531982 /nfs/dbraw/zinc/53/19/82/1038531982.db2.gz MAIQOEFRMNHOBA-UHFFFAOYSA-N -1 3 378.266 3.916 20 5 GHBDHM Cc1ccc(N2CCC(Oc3nc4cc(Cl)c([N+](=O)[O-])cc4[n-]3)CC2)nc1 ZINC001233507078 1039398841 /nfs/dbraw/zinc/39/88/41/1039398841.db2.gz UVBYOSUVIDSUAM-UHFFFAOYSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1ccc(N2CCC(Oc3nc4cc([N+](=O)[O-])c(Cl)cc4[n-]3)CC2)nc1 ZINC001233507078 1039398849 /nfs/dbraw/zinc/39/88/49/1039398849.db2.gz UVBYOSUVIDSUAM-UHFFFAOYSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nn1-c1ccccc1 ZINC001460273629 1068901346 /nfs/dbraw/zinc/90/13/46/1068901346.db2.gz KFYMFSHFSMEJNY-UHFFFAOYSA-N -1 3 379.401 3.951 20 5 GHBDHM O=c1[n-]ccc(N2CCc3[nH]c4c(cccc4Br)c3C2)c1[N+](=O)[O-] ZINC001472667865 1073606621 /nfs/dbraw/zinc/60/66/21/1073606621.db2.gz CUQROLMSXIPFQN-UHFFFAOYSA-N -1 3 389.209 3.502 20 5 GHBDHM C[C@@H]1CN(Cc2ccc(CN(C)Cc3cc([O-])ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001473598657 1074040250 /nfs/dbraw/zinc/04/02/50/1074040250.db2.gz RXZXTNLHNZLNFS-CALCHBBNSA-N -1 3 399.491 3.542 20 5 GHBDHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001475250564 1074805210 /nfs/dbraw/zinc/80/52/10/1074805210.db2.gz SWYZMRRPNFETQQ-JOCQHMNTSA-N -1 3 380.853 3.781 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCCO[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738370103 598870237 /nfs/dbraw/zinc/87/02/37/598870237.db2.gz NJNUSIPMGPQNMI-LJQANCHMSA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCCO[C@@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738370103 598870238 /nfs/dbraw/zinc/87/02/38/598870238.db2.gz NJNUSIPMGPQNMI-LJQANCHMSA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000823644759 599112613 /nfs/dbraw/zinc/11/26/13/599112613.db2.gz MBYMXOUHAUUDFF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000823644759 599112616 /nfs/dbraw/zinc/11/26/16/599112616.db2.gz MBYMXOUHAUUDFF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM Cc1c2c(nc(S[C@H](C)c3ccccc3[N+](=O)[O-])c1-c1nnn[n-]1)CCC2 ZINC000822129806 599124233 /nfs/dbraw/zinc/12/42/33/599124233.db2.gz OTRRQRIWAWSQHD-LLVKDONJSA-N -1 3 382.449 3.820 20 5 GHBDHM Cc1c2c(nc(S[C@H](C)c3ccccc3[N+](=O)[O-])c1-c1nn[n-]n1)CCC2 ZINC000822129806 599124234 /nfs/dbraw/zinc/12/42/34/599124234.db2.gz OTRRQRIWAWSQHD-LLVKDONJSA-N -1 3 382.449 3.820 20 5 GHBDHM COc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1-c1nnn[n-]1 ZINC000737080797 599151268 /nfs/dbraw/zinc/15/12/68/599151268.db2.gz HMJUWTMDAHIMQX-XVNBXDOJSA-N -1 3 380.389 3.564 20 5 GHBDHM COc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3s2)cc1-c1nn[n-]n1 ZINC000737080797 599151269 /nfs/dbraw/zinc/15/12/69/599151269.db2.gz HMJUWTMDAHIMQX-XVNBXDOJSA-N -1 3 380.389 3.564 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000738359634 598369275 /nfs/dbraw/zinc/36/92/75/598369275.db2.gz KVLBCGHCBWCBPZ-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000738359634 598369277 /nfs/dbraw/zinc/36/92/77/598369277.db2.gz KVLBCGHCBWCBPZ-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1ccc(OCCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000738367964 598697156 /nfs/dbraw/zinc/69/71/56/598697156.db2.gz XSIADNZXPJNABO-UHFFFAOYSA-N -1 3 389.412 3.616 20 5 GHBDHM O=[N+]([O-])c1ccc(OCCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000738367964 598697158 /nfs/dbraw/zinc/69/71/58/598697158.db2.gz XSIADNZXPJNABO-UHFFFAOYSA-N -1 3 389.412 3.616 20 5 GHBDHM COc1cccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821860004 599488428 /nfs/dbraw/zinc/48/84/28/599488428.db2.gz VTXRYARIKREJNR-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM COc1cccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821860004 599488431 /nfs/dbraw/zinc/48/84/31/599488431.db2.gz VTXRYARIKREJNR-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NC3CC(c4ccccc4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644743 599525013 /nfs/dbraw/zinc/52/50/13/599525013.db2.gz LIYYFCNMVZTSND-UHFFFAOYSA-N -1 3 387.403 3.681 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NC3CC(c4ccccc4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644743 599525017 /nfs/dbraw/zinc/52/50/17/599525017.db2.gz LIYYFCNMVZTSND-UHFFFAOYSA-N -1 3 387.403 3.681 20 5 GHBDHM COc1cccc([C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)c1 ZINC000738092956 600942539 /nfs/dbraw/zinc/94/25/39/600942539.db2.gz TZOKCSVBOHIJLV-QGZVFWFLSA-N -1 3 393.827 3.670 20 5 GHBDHM CC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825040233 607523993 /nfs/dbraw/zinc/52/39/93/607523993.db2.gz ZVJMPRJRVQONOP-GFCCVEGCSA-N -1 3 386.799 3.561 20 5 GHBDHM CC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825040233 607523995 /nfs/dbraw/zinc/52/39/95/607523995.db2.gz ZVJMPRJRVQONOP-GFCCVEGCSA-N -1 3 386.799 3.561 20 5 GHBDHM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823443384 606463681 /nfs/dbraw/zinc/46/36/81/606463681.db2.gz BCEYZKYAVOWIFH-UHFFFAOYSA-N -1 3 393.384 3.723 20 5 GHBDHM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823443384 606463683 /nfs/dbraw/zinc/46/36/83/606463683.db2.gz BCEYZKYAVOWIFH-UHFFFAOYSA-N -1 3 393.384 3.723 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823629981 606722015 /nfs/dbraw/zinc/72/20/15/606722015.db2.gz OTOHKEOYAZRHJG-KRWDZBQOSA-N -1 3 389.419 3.988 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823629981 606722016 /nfs/dbraw/zinc/72/20/16/606722016.db2.gz OTOHKEOYAZRHJG-KRWDZBQOSA-N -1 3 389.419 3.988 20 5 GHBDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178195 608160198 /nfs/dbraw/zinc/16/01/98/608160198.db2.gz NYYPHGLKZKZWQS-MFKMUULPSA-N -1 3 390.831 3.605 20 5 GHBDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178195 608160201 /nfs/dbraw/zinc/16/02/01/608160201.db2.gz NYYPHGLKZKZWQS-MFKMUULPSA-N -1 3 390.831 3.605 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826450314 608164155 /nfs/dbraw/zinc/16/41/55/608164155.db2.gz GIZJJCPOKSZAHZ-VXGBXAGGSA-N -1 3 390.831 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826450314 608164157 /nfs/dbraw/zinc/16/41/57/608164157.db2.gz GIZJJCPOKSZAHZ-VXGBXAGGSA-N -1 3 390.831 3.583 20 5 GHBDHM CC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000825147333 608232126 /nfs/dbraw/zinc/23/21/26/608232126.db2.gz IISXJYOAWMCPFH-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000825147333 608232128 /nfs/dbraw/zinc/23/21/28/608232128.db2.gz IISXJYOAWMCPFH-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826498442 608466504 /nfs/dbraw/zinc/46/65/04/608466504.db2.gz VCGYTJRDQHLXBC-UHFFFAOYSA-N -1 3 396.838 3.718 20 5 GHBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1-c1nnn[n-]1 ZINC000826242160 608546075 /nfs/dbraw/zinc/54/60/75/608546075.db2.gz CGDPGHHYIBNKBM-UHFFFAOYSA-N -1 3 398.448 3.836 20 5 GHBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cccc1-c1nn[n-]n1 ZINC000826242160 608546076 /nfs/dbraw/zinc/54/60/76/608546076.db2.gz CGDPGHHYIBNKBM-UHFFFAOYSA-N -1 3 398.448 3.836 20 5 GHBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000826186153 609483724 /nfs/dbraw/zinc/48/37/24/609483724.db2.gz HIHWTENFBVPBPX-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000826186153 609483726 /nfs/dbraw/zinc/48/37/26/609483726.db2.gz HIHWTENFBVPBPX-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583758354 834988693 /nfs/dbraw/zinc/98/86/93/834988693.db2.gz FXWARCQVWQWHJA-LRDNONRASA-N -1 3 394.468 3.571 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000511363508 836627147 /nfs/dbraw/zinc/62/71/47/836627147.db2.gz XXXWDPHMTZPJTO-UHFFFAOYSA-N -1 3 386.779 3.568 20 5 GHBDHM CSc1cc2c(cc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl)OCCO2 ZINC000110115912 849288569 /nfs/dbraw/zinc/28/85/69/849288569.db2.gz RYIJOZSTXSAASJ-UHFFFAOYSA-N -1 3 380.809 3.994 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435585302 850674168 /nfs/dbraw/zinc/67/41/68/850674168.db2.gz QXVGUIWFENGLHE-YEORSEQZSA-N -1 3 384.816 3.612 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2ncsc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000438033381 851963790 /nfs/dbraw/zinc/96/37/90/851963790.db2.gz RZHCBMSLQORPQR-UHFFFAOYSA-N -1 3 383.385 3.757 20 5 GHBDHM Nc1c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc(F)cc1[N+](=O)[O-] ZINC000056248688 854599552 /nfs/dbraw/zinc/59/95/52/854599552.db2.gz XYQIRCPHLFQBBR-UHFFFAOYSA-N -1 3 393.787 3.740 20 5 GHBDHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000572698174 854966891 /nfs/dbraw/zinc/96/68/91/854966891.db2.gz UXCKUDYBZSMJGH-UHFFFAOYSA-N -1 3 394.453 3.500 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC001211866296 855424536 /nfs/dbraw/zinc/42/45/36/855424536.db2.gz ZLPCFLUZCQGQIN-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000120938027 856382262 /nfs/dbraw/zinc/38/22/62/856382262.db2.gz UFIQRJBVPKPZKB-MRXNPFEDSA-N -1 3 383.495 3.580 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000592978726 857146702 /nfs/dbraw/zinc/14/67/02/857146702.db2.gz VNSNWHUEGFBJGL-UHFFFAOYSA-N -1 3 387.358 3.510 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000486001230 857311223 /nfs/dbraw/zinc/31/12/23/857311223.db2.gz JCGHKAYAIMIFMU-AWEZNQCLSA-N -1 3 392.330 3.624 20 5 GHBDHM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000521107715 857626411 /nfs/dbraw/zinc/62/64/11/857626411.db2.gz CPKKOSHHXYCZJJ-NSHDSACASA-N -1 3 384.841 3.686 20 5 GHBDHM CC(C)(C)OC(=O)CC[C@@H](Cc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596256020 858843873 /nfs/dbraw/zinc/84/38/73/858843873.db2.gz WKKSZTFKUCXTCR-HNNXBMFYSA-N -1 3 387.436 3.841 20 5 GHBDHM COc1cc(CNCc2ccnc(Oc3ccccc3)c2)c([N+](=O)[O-])cc1[O-] ZINC000611429565 859753144 /nfs/dbraw/zinc/75/31/44/859753144.db2.gz QLNCVAOXQXKKEX-UHFFFAOYSA-N -1 3 381.388 3.786 20 5 GHBDHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520416777 881474355 /nfs/dbraw/zinc/47/43/55/881474355.db2.gz SVFNEZQPQGUXBR-SFHVURJKSA-N -1 3 390.823 3.917 20 5 GHBDHM O=C(C[C@]12CCCC[C@H]1C2(F)F)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000598680899 860499562 /nfs/dbraw/zinc/49/95/62/860499562.db2.gz IQWDOFYLTQCGNW-RHSMWYFYSA-N -1 3 376.363 3.561 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000170803889 881829738 /nfs/dbraw/zinc/82/97/38/881829738.db2.gz QUTZQJNFZORJPC-UHFFFAOYSA-N -1 3 375.797 3.722 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(C)c(Br)o2)c(C)c([N+](=O)[O-])c1 ZINC001271456118 865069050 /nfs/dbraw/zinc/06/90/50/865069050.db2.gz JDDMBMDRCZCAAD-UHFFFAOYSA-N -1 3 397.181 3.606 20 5 GHBDHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000509452663 866762767 /nfs/dbraw/zinc/76/27/67/866762767.db2.gz RNGUFSVFLDWIFG-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM O=C(Cc1csc2ccccc12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523551316 867515737 /nfs/dbraw/zinc/51/57/37/867515737.db2.gz LVZWXIJBXTVTMN-UHFFFAOYSA-N -1 3 378.413 3.803 20 5 GHBDHM Cc1sc(-c2ccco2)nc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523551643 867517783 /nfs/dbraw/zinc/51/77/83/867517783.db2.gz ZNGGDRUUCTVNTC-UHFFFAOYSA-N -1 3 395.400 3.684 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000523726532 867836482 /nfs/dbraw/zinc/83/64/82/867836482.db2.gz APAZDIJBBOEZFS-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12 ZINC000523735169 867869764 /nfs/dbraw/zinc/86/97/64/867869764.db2.gz ZUYIMGIHXOEAPY-UHFFFAOYSA-N -1 3 380.809 3.781 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c(Cl)c1 ZINC000524149436 868656825 /nfs/dbraw/zinc/65/68/25/868656825.db2.gz QCOVOWNMXALGLI-UHFFFAOYSA-N -1 3 380.809 3.515 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccs2)c(C(F)(F)F)c1 ZINC000538758902 870530150 /nfs/dbraw/zinc/53/01/50/870530150.db2.gz SAMPNSBBOPDXER-UHFFFAOYSA-N -1 3 394.396 3.586 20 5 GHBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030273 870884022 /nfs/dbraw/zinc/88/40/22/870884022.db2.gz UTXWQQSOLADMRT-NEPJUHHUSA-N -1 3 398.428 3.566 20 5 GHBDHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000509651065 871037322 /nfs/dbraw/zinc/03/73/22/871037322.db2.gz JSYFMPBAIOHYKK-UHFFFAOYSA-N -1 3 391.689 3.542 20 5 GHBDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)nc2c1 ZINC001193642352 871207547 /nfs/dbraw/zinc/20/75/47/871207547.db2.gz XKNLEDNDBQUBFT-UHFFFAOYSA-N -1 3 391.474 3.608 20 5 GHBDHM COc1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc1SC ZINC000540420077 871235378 /nfs/dbraw/zinc/23/53/78/871235378.db2.gz XDLPIPQYTXOIAE-UHFFFAOYSA-N -1 3 398.444 3.698 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001193914015 871392277 /nfs/dbraw/zinc/39/22/77/871392277.db2.gz DXDHUCWDSZBXRQ-CYBMUJFWSA-N -1 3 390.795 3.685 20 5 GHBDHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)cc2s1 ZINC000794027643 882557837 /nfs/dbraw/zinc/55/78/37/882557837.db2.gz BRTTWEUWGWQJCG-UHFFFAOYSA-N -1 3 383.838 3.967 20 5 GHBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc2n[n-]nc21 ZINC000526116212 872154570 /nfs/dbraw/zinc/15/45/70/872154570.db2.gz ZCRFESUAQFXYRH-UHFFFAOYSA-N -1 3 375.344 3.911 20 5 GHBDHM O=C(OCC[C@H]1CCCCN1C(=O)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000769711645 874245894 /nfs/dbraw/zinc/24/58/94/874245894.db2.gz HDUUTQVNDDSBTJ-MRXNPFEDSA-N -1 3 398.415 3.542 20 5 GHBDHM Cc1ccc(COc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cc1 ZINC000770471799 874717811 /nfs/dbraw/zinc/71/78/11/874717811.db2.gz RXRBBDWTUMOIQZ-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Br)cc(Br)n2)c1 ZINC001199819452 875179882 /nfs/dbraw/zinc/17/98/82/875179882.db2.gz RSKMGPBLBCCFIO-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Br)ccc2Br)c1 ZINC001199819433 875180386 /nfs/dbraw/zinc/18/03/86/875180386.db2.gz RFQXJDCCUNVBCH-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136020 877452563 /nfs/dbraw/zinc/45/25/63/877452563.db2.gz GQTYOXQVHZPMAY-HNNXBMFYSA-N -1 3 384.404 3.919 20 5 GHBDHM CC(C)(C)OC(=O)N1Cc2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2C1 ZINC000853508146 879073332 /nfs/dbraw/zinc/07/33/32/879073332.db2.gz BOJOJGVQXRVQHX-UHFFFAOYSA-N -1 3 386.408 3.558 20 5 GHBDHM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914571874 884177970 /nfs/dbraw/zinc/17/79/70/884177970.db2.gz OAESYBAZXISKTQ-VIHMKRCTSA-N -1 3 381.432 3.551 20 5 GHBDHM O=C(Nc1cc(Cl)c(Br)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001168215557 886148168 /nfs/dbraw/zinc/14/81/68/886148168.db2.gz GVUSBQFUMUFJKU-UHFFFAOYSA-N -1 3 390.552 3.503 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000808328837 886261565 /nfs/dbraw/zinc/26/15/65/886261565.db2.gz WKXHAVBYVXOQMI-JTQLQIEISA-N -1 3 380.422 3.988 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)c(Cl)c1 ZINC001211977251 888877069 /nfs/dbraw/zinc/87/70/69/888877069.db2.gz VZMSJMGYPSLFLK-UHFFFAOYSA-N -1 3 396.877 3.984 20 5 GHBDHM COc1ccccc1[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCCCC1 ZINC000564088235 894572670 /nfs/dbraw/zinc/57/26/70/894572670.db2.gz MVNZQUSZGBWTTG-IBGZPJMESA-N -1 3 399.447 3.941 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000800052170 898538610 /nfs/dbraw/zinc/53/86/10/898538610.db2.gz JQOSQJNJCMBEAX-UHFFFAOYSA-N -1 3 392.330 3.948 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000800145183 898661137 /nfs/dbraw/zinc/66/11/37/898661137.db2.gz DWHDQOXLRXBMHC-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303124470 914336814 /nfs/dbraw/zinc/33/68/14/914336814.db2.gz GNBBQQMKFWUAJT-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM Cc1cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)ccc1Cl ZINC001212837596 903514077 /nfs/dbraw/zinc/51/40/77/903514077.db2.gz TXQGVPUVUBVLAM-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)ccc1Cl ZINC001212837596 903514087 /nfs/dbraw/zinc/51/40/87/903514087.db2.gz TXQGVPUVUBVLAM-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303396293 914726444 /nfs/dbraw/zinc/72/64/44/914726444.db2.gz QPCFYCHEHMYLCG-UHFFFAOYSA-N -1 3 378.388 3.602 20 5 GHBDHM CCc1cc(Br)ccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844327 903699858 /nfs/dbraw/zinc/69/98/58/903699858.db2.gz ODZIMOFRXFIALN-UHFFFAOYSA-N -1 3 391.181 3.737 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001187411212 915230217 /nfs/dbraw/zinc/23/02/17/915230217.db2.gz KFWSWOQQEXZJTL-MRXNPFEDSA-N -1 3 398.431 3.727 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC001188711669 916141847 /nfs/dbraw/zinc/14/18/47/916141847.db2.gz ZWAPGQCSGJCXMX-KRWDZBQOSA-N -1 3 378.425 3.944 20 5 GHBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000800930169 920616459 /nfs/dbraw/zinc/61/64/59/920616459.db2.gz YETPWWDPOIYJEJ-UHFFFAOYSA-N -1 3 380.397 3.856 20 5 GHBDHM NC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1-c1ccccc1CCC2 ZINC000748799458 923835322 /nfs/dbraw/zinc/83/53/22/923835322.db2.gz QQLKFLQAFSCSIK-UHFFFAOYSA-N -1 3 397.412 3.756 20 5 GHBDHM COc1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000011519031 925108802 /nfs/dbraw/zinc/10/88/02/925108802.db2.gz HNCFKKZWGSXQBE-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)c2)n1 ZINC000373800510 926438871 /nfs/dbraw/zinc/43/88/71/926438871.db2.gz MJRXVLKVKCWAJS-UHFFFAOYSA-N -1 3 394.387 3.581 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccccn1 ZINC000752246576 928711745 /nfs/dbraw/zinc/71/17/45/928711745.db2.gz GZPOSCLGOUMMOH-CQSZACIVSA-N -1 3 383.857 3.771 20 5 GHBDHM O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1)c1ccccc1 ZINC000753780390 929533607 /nfs/dbraw/zinc/53/36/07/929533607.db2.gz IXUCNGZQXMZYLI-UHFFFAOYSA-N -1 3 378.340 3.772 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000757349097 929697138 /nfs/dbraw/zinc/69/71/38/929697138.db2.gz RGEJSQBWYOFQQB-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc(Br)c(F)cc2F)c1[N+](=O)[O-] ZINC000469512068 929956615 /nfs/dbraw/zinc/95/66/15/929956615.db2.gz MQRGDMLVLGPVQP-UHFFFAOYSA-N -1 3 389.156 3.734 20 5 GHBDHM COc1ccc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC000559980940 932994918 /nfs/dbraw/zinc/99/49/18/932994918.db2.gz BWJTWTDAWZONRK-IIBYNOLFSA-N -1 3 384.432 3.816 20 5 GHBDHM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001137701690 935732781 /nfs/dbraw/zinc/73/27/81/935732781.db2.gz HJVGDPRALPNOBP-UHFFFAOYSA-N -1 3 386.795 3.759 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138017379 935929858 /nfs/dbraw/zinc/92/98/58/935929858.db2.gz IKQXANQNTYEZCC-STQMWFEESA-N -1 3 377.194 3.805 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000755086884 1023067169 /nfs/dbraw/zinc/06/71/69/1023067169.db2.gz VCWBXQULXPVXTC-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001210499832 1027535086 /nfs/dbraw/zinc/53/50/86/1027535086.db2.gz SVNGIZMETJOVHG-LLVKDONJSA-N -1 3 393.303 3.995 20 5 GHBDHM CCOC(=O)c1cc(Nc2ccc([O-])c(Br)c2)cc([N+](=O)[O-])c1 ZINC001211371129 1027925572 /nfs/dbraw/zinc/92/55/72/1027925572.db2.gz IVELDRVVSSJLFW-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM c1cnc2c(c1)ccc1ccc(-c3noc(-c4ccc(-c5nnn[n-]5)cc4)n3)nc12 ZINC001216107989 1029526729 /nfs/dbraw/zinc/52/67/29/1029526729.db2.gz MNKSNHOBOZKQCQ-UHFFFAOYSA-N -1 3 392.382 3.680 20 5 GHBDHM c1cnc2c(c1)ccc1ccc(-c3noc(-c4ccc(-c5nn[n-]n5)cc4)n3)nc12 ZINC001216107989 1029526735 /nfs/dbraw/zinc/52/67/35/1029526735.db2.gz MNKSNHOBOZKQCQ-UHFFFAOYSA-N -1 3 392.382 3.680 20 5 GHBDHM C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001153741695 1031726015 /nfs/dbraw/zinc/72/60/15/1031726015.db2.gz VNSOIJFDVHMNAQ-CQSZACIVSA-N -1 3 396.447 3.667 20 5 GHBDHM C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001153741694 1031726337 /nfs/dbraw/zinc/72/63/37/1031726337.db2.gz VNSOIJFDVHMNAQ-AWEZNQCLSA-N -1 3 396.447 3.667 20 5 GHBDHM C[C@H](Oc1cccc([O-])c1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229140162 1033302960 /nfs/dbraw/zinc/30/29/60/1033302960.db2.gz VQIREPKXYMFKSV-QMMMGPOBSA-N -1 3 382.166 3.932 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC001462110582 1069999154 /nfs/dbraw/zinc/99/91/54/1069999154.db2.gz LKPCSMIXIMVVPK-INIZCTEOSA-N -1 3 396.802 3.675 20 5 GHBDHM COc1c(Cl)ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1F ZINC001247999220 1038532191 /nfs/dbraw/zinc/53/21/91/1038532191.db2.gz INPSDUMCNDDGNC-UHFFFAOYSA-N -1 3 392.730 3.698 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c([N+](=O)[O-])s1 ZINC001462776520 1070538576 /nfs/dbraw/zinc/53/85/76/1070538576.db2.gz OSJQJXUKBZPXMU-UHFFFAOYSA-N -1 3 380.491 3.755 20 5 GHBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC001309243454 1050511288 /nfs/dbraw/zinc/51/12/88/1050511288.db2.gz JNDNSDWSPMTMKC-CABCVRRESA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001309243107 1050511312 /nfs/dbraw/zinc/51/13/12/1050511312.db2.gz QBSGVOLUJQEOMC-CYBMUJFWSA-N -1 3 382.869 3.775 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC001309348079 1050620637 /nfs/dbraw/zinc/62/06/37/1050620637.db2.gz ASMBJAPHCXNALR-HNNXBMFYSA-N -1 3 394.399 3.787 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC001309495237 1050763707 /nfs/dbraw/zinc/76/37/07/1050763707.db2.gz BOELTMGJLJYWCL-CYBMUJFWSA-N -1 3 380.388 3.861 20 5 GHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936732 1062924038 /nfs/dbraw/zinc/92/40/38/1062924038.db2.gz OGIRCZCIBURFNQ-BRWVUGGUSA-N -1 3 398.463 3.502 20 5 GHBDHM Cc1ccc(-c2csc3[n-]c(Cn4cc([N+](=O)[O-])c(C)n4)nc(=O)c23)s1 ZINC001459105434 1063999505 /nfs/dbraw/zinc/99/95/05/1063999505.db2.gz LONKBDSJUSOHDP-UHFFFAOYSA-N -1 3 387.446 3.895 20 5 GHBDHM COc1ccc(N(CCc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001465265178 1065512181 /nfs/dbraw/zinc/51/21/81/1065512181.db2.gz UEPKVJKLOIILTP-UHFFFAOYSA-N -1 3 393.399 3.594 20 5 GHBDHM COc1cc(CNc2cnn(-c3ccc(F)cc3F)c2C)c([N+](=O)[O-])cc1[O-] ZINC001474196147 1074290108 /nfs/dbraw/zinc/29/01/08/1074290108.db2.gz LATRRIJSHULSEH-UHFFFAOYSA-N -1 3 390.346 3.693 20 5 GHBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC001475179607 1074772401 /nfs/dbraw/zinc/77/24/01/1074772401.db2.gz KJQWUTUPCDHHDF-MXWKQRLJSA-N -1 3 380.388 3.717 20 5 GHBDHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001475330520 1074836803 /nfs/dbraw/zinc/83/68/03/1074836803.db2.gz JFHCYIPRYIQFJM-UHFFFAOYSA-N -1 3 382.404 3.964 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644609 599056757 /nfs/dbraw/zinc/05/67/57/599056757.db2.gz JLIGEHNJTQPDSQ-FRRDWIJNSA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644609 599056761 /nfs/dbraw/zinc/05/67/61/599056761.db2.gz JLIGEHNJTQPDSQ-FRRDWIJNSA-N -1 3 379.424 3.704 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233983 599108877 /nfs/dbraw/zinc/10/88/77/599108877.db2.gz ZDIQAIKCXVACBW-KXBFYZLASA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233983 599108880 /nfs/dbraw/zinc/10/88/80/599108880.db2.gz ZDIQAIKCXVACBW-KXBFYZLASA-N -1 3 394.435 3.663 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2cccc(COC3CCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738373420 598501437 /nfs/dbraw/zinc/50/14/37/598501437.db2.gz CKOLYXDIUXQSGV-UHFFFAOYSA-N -1 3 395.423 3.763 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2cccc(COC3CCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738373420 598501438 /nfs/dbraw/zinc/50/14/38/598501438.db2.gz CKOLYXDIUXQSGV-UHFFFAOYSA-N -1 3 395.423 3.763 20 5 GHBDHM CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825040236 607524375 /nfs/dbraw/zinc/52/43/75/607524375.db2.gz ZVJMPRJRVQONOP-LBPRGKRZSA-N -1 3 386.799 3.561 20 5 GHBDHM CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825040236 607524376 /nfs/dbraw/zinc/52/43/76/607524376.db2.gz ZVJMPRJRVQONOP-LBPRGKRZSA-N -1 3 386.799 3.561 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000824385049 607524378 /nfs/dbraw/zinc/52/43/78/607524378.db2.gz KLNMRHZUYQQTOS-SNVBAGLBSA-N -1 3 386.799 3.561 20 5 GHBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000824385049 607524379 /nfs/dbraw/zinc/52/43/79/607524379.db2.gz KLNMRHZUYQQTOS-SNVBAGLBSA-N -1 3 386.799 3.561 20 5 GHBDHM O=[N+]([O-])c1cnccc1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823650780 606242567 /nfs/dbraw/zinc/24/25/67/606242567.db2.gz AQWRTIBPXJKIEA-UHFFFAOYSA-N -1 3 376.332 3.755 20 5 GHBDHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178192 608160306 /nfs/dbraw/zinc/16/03/06/608160306.db2.gz NYYPHGLKZKZWQS-GWCFXTLKSA-N -1 3 390.831 3.605 20 5 GHBDHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178192 608160307 /nfs/dbraw/zinc/16/03/07/608160307.db2.gz NYYPHGLKZKZWQS-GWCFXTLKSA-N -1 3 390.831 3.605 20 5 GHBDHM CC1(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000824816818 608161012 /nfs/dbraw/zinc/16/10/12/608161012.db2.gz IMYVZMWFOOZPEY-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM CC1(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000824816818 608161014 /nfs/dbraw/zinc/16/10/14/608161014.db2.gz IMYVZMWFOOZPEY-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM C[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000581369464 837517995 /nfs/dbraw/zinc/51/79/95/837517995.db2.gz BLIKPSBBQCGVLD-QAPCUYQASA-N -1 3 383.448 3.905 20 5 GHBDHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC000102978045 838283896 /nfs/dbraw/zinc/28/38/96/838283896.db2.gz YTUXAECHCAENBE-UHFFFAOYSA-N -1 3 396.403 3.830 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccccc2)n1 ZINC000103201966 838375782 /nfs/dbraw/zinc/37/57/82/838375782.db2.gz HWGHGZJQUZKJQM-UHFFFAOYSA-N -1 3 392.400 3.756 20 5 GHBDHM COc1cc(CNCc2cc(C)ccc2Br)c([N+](=O)[O-])cc1[O-] ZINC000414516106 838598925 /nfs/dbraw/zinc/59/89/25/838598925.db2.gz OGWPQRZMBGQSQY-UHFFFAOYSA-N -1 3 381.226 3.670 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000104761136 839005677 /nfs/dbraw/zinc/00/56/77/839005677.db2.gz COECWWDVCWRDNA-GFCCVEGCSA-N -1 3 389.886 3.751 20 5 GHBDHM O=C([O-])[C@H]1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000277004394 844530343 /nfs/dbraw/zinc/53/03/43/844530343.db2.gz LUHBZUYITCMWNL-JOCQHMNTSA-N -1 3 375.450 3.699 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000175900409 841342944 /nfs/dbraw/zinc/34/29/44/841342944.db2.gz RQRBGANFWYQCKI-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C)s1 ZINC000303156924 861553435 /nfs/dbraw/zinc/55/34/35/861553435.db2.gz DLHZVOBXFAFDGJ-UHFFFAOYSA-N -1 3 376.419 3.750 20 5 GHBDHM O=c1[n-]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nc2c3ccccc3oc21 ZINC000135221106 848143532 /nfs/dbraw/zinc/14/35/32/848143532.db2.gz UPUBGBFLOFDNDN-UHFFFAOYSA-N -1 3 390.399 3.742 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000504477731 850093110 /nfs/dbraw/zinc/09/31/10/850093110.db2.gz OWZSSYCBFSPGCX-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c(Cl)c1 ZINC000515728984 851377365 /nfs/dbraw/zinc/37/73/65/851377365.db2.gz PSAREHSWUCZRIM-UHFFFAOYSA-N -1 3 393.852 3.572 20 5 GHBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c([N+](=O)[O-])cc1[O-] ZINC000028660036 851874057 /nfs/dbraw/zinc/87/40/57/851874057.db2.gz XCUJSICLYZQARN-IBGZPJMESA-N -1 3 395.371 3.669 20 5 GHBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000437656603 853384964 /nfs/dbraw/zinc/38/49/64/853384964.db2.gz RUSSALNXRSXAKP-UHFFFAOYSA-N -1 3 391.309 3.959 20 5 GHBDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000519889426 853585493 /nfs/dbraw/zinc/58/54/93/853585493.db2.gz PCCNYJSKRRLKDU-UHFFFAOYSA-N -1 3 398.868 3.513 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ncsc1Br ZINC000573835165 856511953 /nfs/dbraw/zinc/51/19/53/856511953.db2.gz PEIMFDSCQLZROM-UHFFFAOYSA-N -1 3 394.153 3.668 20 5 GHBDHM O=C([N-]c1c(F)cc(Br)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485733741 857008546 /nfs/dbraw/zinc/00/85/46/857008546.db2.gz SOJOUKLKGVMRBB-UHFFFAOYSA-N -1 3 397.135 3.764 20 5 GHBDHM Cc1c(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000442226721 857618954 /nfs/dbraw/zinc/61/89/54/857618954.db2.gz BLJDHSWIYROFDV-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439092812 858244455 /nfs/dbraw/zinc/24/44/55/858244455.db2.gz CILRQGGQBMJLQY-UHFFFAOYSA-N -1 3 394.771 3.864 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596227662 858821281 /nfs/dbraw/zinc/82/12/81/858821281.db2.gz RVGIXTFXGWJSPR-UHFFFAOYSA-N -1 3 378.226 3.842 20 5 GHBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000509624158 859017003 /nfs/dbraw/zinc/01/70/03/859017003.db2.gz GVAUHYPQSIPDKJ-UHFFFAOYSA-N -1 3 390.845 3.588 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1 ZINC000161196080 859693007 /nfs/dbraw/zinc/69/30/07/859693007.db2.gz BPPVPVQYPCKCAW-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484245127 859897741 /nfs/dbraw/zinc/89/77/41/859897741.db2.gz OIEFQNWHYSYFMV-UHFFFAOYSA-N -1 3 382.401 3.635 20 5 GHBDHM C[C@@H](CCc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992505 865098366 /nfs/dbraw/zinc/09/83/66/865098366.db2.gz HXZPPDYRVFMWBV-ZDUSSCGKSA-N -1 3 389.419 3.756 20 5 GHBDHM C[C@@H](CCc1ccccc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735992505 865098371 /nfs/dbraw/zinc/09/83/71/865098371.db2.gz HXZPPDYRVFMWBV-ZDUSSCGKSA-N -1 3 389.419 3.756 20 5 GHBDHM O=c1[n-]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2c3ccccc3oc21 ZINC000130997922 866219642 /nfs/dbraw/zinc/21/96/42/866219642.db2.gz IZYACLQOMQBAJF-UHFFFAOYSA-N -1 3 390.399 3.742 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000741755468 866776488 /nfs/dbraw/zinc/77/64/88/866776488.db2.gz RAZHHLICHKGSJP-UHFFFAOYSA-N -1 3 389.271 3.526 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000523164495 866816835 /nfs/dbraw/zinc/81/68/35/866816835.db2.gz QDWSITYNYQJSKC-NEPJUHHUSA-N -1 3 382.342 3.714 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444636572 866969092 /nfs/dbraw/zinc/96/90/92/866969092.db2.gz DRWMIWVWOCRNFK-UHFFFAOYSA-N -1 3 398.397 3.885 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2ncoc2CC)c([N+](=O)[O-])cc1OCCC ZINC000523499500 867447760 /nfs/dbraw/zinc/44/77/60/867447760.db2.gz UKVCYZPPFJMRCL-UHFFFAOYSA-N -1 3 377.397 3.975 20 5 GHBDHM Cc1ccc(-c2nc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)n[n-]2)o1 ZINC000444969417 867537191 /nfs/dbraw/zinc/53/71/91/867537191.db2.gz WPCKCGFWXRUAET-UHFFFAOYSA-N -1 3 385.383 3.620 20 5 GHBDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1F ZINC000534927459 867780522 /nfs/dbraw/zinc/78/05/22/867780522.db2.gz WZLMAPLLOUSEQI-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000745334395 869464420 /nfs/dbraw/zinc/46/44/20/869464420.db2.gz GRWPTHIXSBJLNP-SNVBAGLBSA-N -1 3 387.417 3.769 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000462657858 869832548 /nfs/dbraw/zinc/83/25/48/869832548.db2.gz ISNVILXLKDQPJV-SECBINFHSA-N -1 3 390.795 3.608 20 5 GHBDHM CCCCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OCC)[n-]1 ZINC000191965054 882686164 /nfs/dbraw/zinc/68/61/64/882686164.db2.gz BNAYIZLZRFHOBG-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Br)cc2Br)c1 ZINC001199819405 875180094 /nfs/dbraw/zinc/18/00/94/875180094.db2.gz QLIFSYGBTFWBOA-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186825376 876376170 /nfs/dbraw/zinc/37/61/70/876376170.db2.gz LSWYKYQGQKVINY-UHFFFAOYSA-N -1 3 390.808 3.648 20 5 GHBDHM CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006650299 879030971 /nfs/dbraw/zinc/03/09/71/879030971.db2.gz YPLFUCQQLQGSOD-ZROIWOOFSA-N -1 3 399.428 3.613 20 5 GHBDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)n1 ZINC001212263964 883753006 /nfs/dbraw/zinc/75/30/06/883753006.db2.gz GAAIYANUARBYPU-VIFPVBQESA-N -1 3 389.886 3.615 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc(=O)c2c1C ZINC000004486046 913685781 /nfs/dbraw/zinc/68/57/81/913685781.db2.gz QKUXORYAIACISQ-JTQLQIEISA-N -1 3 387.417 3.736 20 5 GHBDHM CCSc1cccc(F)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000576273814 901902639 /nfs/dbraw/zinc/90/26/39/901902639.db2.gz GIYUYCHPDOBQTF-UHFFFAOYSA-N -1 3 384.454 3.830 20 5 GHBDHM CC(C)N(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000846240968 902816666 /nfs/dbraw/zinc/81/66/66/902816666.db2.gz QJWJBTLENXNZSE-KPKJPENVSA-N -1 3 384.432 3.982 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cccc(Cl)c3Br)no2)cc1[N+](=O)[O-] ZINC001212843760 903676254 /nfs/dbraw/zinc/67/62/54/903676254.db2.gz AEDKCLHFVQATKO-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c1 ZINC000779894150 909065419 /nfs/dbraw/zinc/06/54/19/909065419.db2.gz ZNDVZFHBNYGCNK-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4ccccc4n3)no2)[n-]nc1C(F)(F)F ZINC001212973143 916165938 /nfs/dbraw/zinc/16/59/38/916165938.db2.gz SFXLRNCMUWZJHH-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700334 923218723 /nfs/dbraw/zinc/21/87/23/923218723.db2.gz BRMSUHICJOQGNE-XEGUGMAKSA-N -1 3 383.242 3.575 20 5 GHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000467717601 929334535 /nfs/dbraw/zinc/33/45/35/929334535.db2.gz FBUHMKRBJLETPY-UHFFFAOYSA-N -1 3 390.371 3.659 20 5 GHBDHM CC(C)c1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000784864978 932015375 /nfs/dbraw/zinc/01/53/75/932015375.db2.gz VSOJWMLUKVMCMB-UHFFFAOYSA-N -1 3 383.360 3.831 20 5 GHBDHM O=C([N-][C@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777899067 934022241 /nfs/dbraw/zinc/02/22/41/934022241.db2.gz VUQDBVFOXPDFSO-GOSISDBHSA-N -1 3 383.354 3.987 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001573873664 950653410 /nfs/dbraw/zinc/65/34/10/950653410.db2.gz XADFULVXLRIRIW-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM CC(C)(C)OCc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001573873664 950653417 /nfs/dbraw/zinc/65/34/17/950653417.db2.gz XADFULVXLRIRIW-UHFFFAOYSA-N -1 3 382.424 3.702 20 5 GHBDHM CCCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC001595899789 982949675 /nfs/dbraw/zinc/94/96/75/982949675.db2.gz KLCONFATAFVHAY-QGZVFWFLSA-N -1 3 399.447 3.743 20 5 GHBDHM C[C@](NCc1ccc(OCC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298566 994717022 /nfs/dbraw/zinc/71/70/22/994717022.db2.gz LPOGNIVBADDTBT-QGZVFWFLSA-N -1 3 398.337 3.626 20 5 GHBDHM C[C@](NCc1cccc(OC(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305102 994758103 /nfs/dbraw/zinc/75/81/03/994758103.db2.gz VSAXUGTXGVFMEB-MRXNPFEDSA-N -1 3 384.310 3.583 20 5 GHBDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741377 1032537899 /nfs/dbraw/zinc/53/78/99/1032537899.db2.gz NWPYQPMFZBNFLC-CYBMUJFWSA-N -1 3 376.413 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741377 1032537907 /nfs/dbraw/zinc/53/79/07/1032537907.db2.gz NWPYQPMFZBNFLC-CYBMUJFWSA-N -1 3 376.413 3.640 20 5 GHBDHM C[C@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743260 1032539481 /nfs/dbraw/zinc/53/94/81/1032539481.db2.gz KDDBFMKJUOCDRS-WCQYABFASA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743260 1032539487 /nfs/dbraw/zinc/53/94/87/1032539487.db2.gz KDDBFMKJUOCDRS-WCQYABFASA-N -1 3 376.413 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747249 1032541161 /nfs/dbraw/zinc/54/11/61/1032541161.db2.gz ZEDYYTPVZWOZDH-DNVCBOLYSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747249 1032541167 /nfs/dbraw/zinc/54/11/67/1032541167.db2.gz ZEDYYTPVZWOZDH-DNVCBOLYSA-N -1 3 388.424 3.640 20 5 GHBDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001228133445 1032800714 /nfs/dbraw/zinc/80/07/14/1032800714.db2.gz GQFPXJSQAARTEP-IBGZPJMESA-N -1 3 387.388 3.673 20 5 GHBDHM CCOC(=O)c1cc(Nc2ccc(Br)cc2[O-])cc([N+](=O)[O-])c1 ZINC001211371118 1027925420 /nfs/dbraw/zinc/92/54/20/1027925420.db2.gz IIUONTRMXATYEX-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001209694724 1035358578 /nfs/dbraw/zinc/35/85/78/1035358578.db2.gz VSYHYOMXDBQWNA-FOGDFJRCSA-N -1 3 380.388 3.717 20 5 GHBDHM COCCN(Cc1ccc(F)cc1Cl)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001461973533 1069923978 /nfs/dbraw/zinc/92/39/78/1069923978.db2.gz FGPYITOXRLNSBS-UHFFFAOYSA-N -1 3 398.818 3.750 20 5 GHBDHM CCOc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c(F)c1F ZINC001248000490 1038532797 /nfs/dbraw/zinc/53/27/97/1038532797.db2.gz SHNSPLGSXFHLLG-UHFFFAOYSA-N -1 3 390.302 3.574 20 5 GHBDHM Cc1cc(C(F)F)n2ncc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)c2n1 ZINC001436018664 1063095456 /nfs/dbraw/zinc/09/54/56/1063095456.db2.gz BCJMWKSLUNOTQT-UHFFFAOYSA-N -1 3 379.298 3.583 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001463654966 1064530113 /nfs/dbraw/zinc/53/01/13/1064530113.db2.gz DGEJUYAIUKNNQH-LSDHHAIUSA-N -1 3 378.425 3.739 20 5 GHBDHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001466280647 1066070721 /nfs/dbraw/zinc/07/07/21/1066070721.db2.gz LUNHIORQNUJMKB-UHFFFAOYSA-N -1 3 379.760 3.553 20 5 GHBDHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC001471702498 1073186937 /nfs/dbraw/zinc/18/69/37/1073186937.db2.gz NPUYMIQSQZCBRS-SNVBAGLBSA-N -1 3 392.437 3.889 20 5 GHBDHM O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001472302254 1073408271 /nfs/dbraw/zinc/40/82/71/1073408271.db2.gz KJGZOGOIKGZGRB-UHFFFAOYSA-N -1 3 376.328 3.756 20 5 GHBDHM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC001475130098 1074749839 /nfs/dbraw/zinc/74/98/39/1074749839.db2.gz MXRMBWJNPLEQAA-NSHDSACASA-N -1 3 399.266 3.705 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC001475205438 1074784060 /nfs/dbraw/zinc/78/40/60/1074784060.db2.gz NUHCYNWWFKARME-SNVBAGLBSA-N -1 3 388.795 3.812 20 5 GHBDHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001475385327 1074856603 /nfs/dbraw/zinc/85/66/03/1074856603.db2.gz FGDDQUAXYZYPSB-IMJJTQAJSA-N -1 3 392.452 3.985 20 5 GHBDHM Cc1ccc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC2)cc1 ZINC001475458011 1074881735 /nfs/dbraw/zinc/88/17/35/1074881735.db2.gz IQKWHKYPPPJDOT-UHFFFAOYSA-N -1 3 380.853 3.914 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823634048 599070911 /nfs/dbraw/zinc/07/09/11/599070911.db2.gz AIICHHHSTVFIGQ-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823634048 599070914 /nfs/dbraw/zinc/07/09/14/599070914.db2.gz AIICHHHSTVFIGQ-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4cc(F)ccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645571 599494361 /nfs/dbraw/zinc/49/43/61/599494361.db2.gz UCTDFZXPDCDSIV-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4cc(F)ccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823645571 599494363 /nfs/dbraw/zinc/49/43/63/599494363.db2.gz UCTDFZXPDCDSIV-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3c(F)cccc3Cl)cc(-c3nnn[n-]3)c2c1 ZINC000823644195 599504468 /nfs/dbraw/zinc/50/44/68/599504468.db2.gz GOUUDYGRUPMJBT-UHFFFAOYSA-N -1 3 399.773 3.728 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3c(F)cccc3Cl)cc(-c3nn[n-]n3)c2c1 ZINC000823644195 599504470 /nfs/dbraw/zinc/50/44/70/599504470.db2.gz GOUUDYGRUPMJBT-UHFFFAOYSA-N -1 3 399.773 3.728 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(CCCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823643788 599551250 /nfs/dbraw/zinc/55/12/50/599551250.db2.gz ATMOPJFAAXQMRW-UHFFFAOYSA-N -1 3 393.451 3.874 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(CCCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643788 599551252 /nfs/dbraw/zinc/55/12/52/599551252.db2.gz ATMOPJFAAXQMRW-UHFFFAOYSA-N -1 3 393.451 3.874 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000823645490 607008991 /nfs/dbraw/zinc/00/89/91/607008991.db2.gz RDRXHKXFIICMJL-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000823645490 607008993 /nfs/dbraw/zinc/00/89/93/607008993.db2.gz RDRXHKXFIICMJL-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826498364 608023911 /nfs/dbraw/zinc/02/39/11/608023911.db2.gz RMFOADPREXOKDQ-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826498364 608023912 /nfs/dbraw/zinc/02/39/12/608023912.db2.gz RMFOADPREXOKDQ-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178194 608160750 /nfs/dbraw/zinc/16/07/50/608160750.db2.gz NYYPHGLKZKZWQS-GXFFZTMASA-N -1 3 390.831 3.605 20 5 GHBDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1(C)C ZINC000824178194 608160751 /nfs/dbraw/zinc/16/07/51/608160751.db2.gz NYYPHGLKZKZWQS-GXFFZTMASA-N -1 3 390.831 3.605 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H](c2cccc(F)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826498921 608234276 /nfs/dbraw/zinc/23/42/76/608234276.db2.gz ONXDRQNPDVSWHW-GOSISDBHSA-N -1 3 391.366 3.511 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H](c2cccc(F)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826498921 608234278 /nfs/dbraw/zinc/23/42/78/608234278.db2.gz ONXDRQNPDVSWHW-GOSISDBHSA-N -1 3 391.366 3.511 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826263889 608754606 /nfs/dbraw/zinc/75/46/06/608754606.db2.gz UWHRDKNNLYUPKZ-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826263889 608754609 /nfs/dbraw/zinc/75/46/09/608754609.db2.gz UWHRDKNNLYUPKZ-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM CCOc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1[N+](=O)[O-] ZINC000180323435 837111793 /nfs/dbraw/zinc/11/17/93/837111793.db2.gz DAZWGEBEHXIGSS-UHFFFAOYSA-N -1 3 376.419 3.826 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000580202103 837314426 /nfs/dbraw/zinc/31/44/26/837314426.db2.gz RLTNKVFPSVGLEF-HZPDHXFCSA-N -1 3 394.349 3.914 20 5 GHBDHM CCOc1cc([N-]C(=O)c2nc3c(s2)CCC3)c([N+](=O)[O-])cc1OCC ZINC000414737627 838801171 /nfs/dbraw/zinc/80/11/71/838801171.db2.gz HLRQGTVVTJSCJG-UHFFFAOYSA-N -1 3 377.422 3.590 20 5 GHBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000122341028 839080297 /nfs/dbraw/zinc/08/02/97/839080297.db2.gz NIGNYMCCZKXKEG-UHFFFAOYSA-N -1 3 379.294 3.982 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000119917269 839980651 /nfs/dbraw/zinc/98/06/51/839980651.db2.gz BRFXNGFULXXVEG-LBPRGKRZSA-N -1 3 389.458 3.758 20 5 GHBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH][n-]1 ZINC000512857392 843893981 /nfs/dbraw/zinc/89/39/81/843893981.db2.gz VDVLSUDXSPVSRJ-UHFFFAOYSA-N -1 3 386.795 3.630 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000502969500 846673784 /nfs/dbraw/zinc/67/37/84/846673784.db2.gz MFUHKQGQPKHCOS-CAPXZKIUSA-N -1 3 392.415 3.865 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000478305172 847054140 /nfs/dbraw/zinc/05/41/40/847054140.db2.gz BFIHQIXTJUXSOG-UHFFFAOYSA-N -1 3 379.710 3.564 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)cc1C ZINC000420733552 847393022 /nfs/dbraw/zinc/39/30/22/847393022.db2.gz ICEGANBTMIYVGL-AWEZNQCLSA-N -1 3 384.404 3.886 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000005121037 848921132 /nfs/dbraw/zinc/92/11/32/848921132.db2.gz WMHQTAZYFBGZQE-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000029969950 862175923 /nfs/dbraw/zinc/17/59/23/862175923.db2.gz ZBDHFLWKQCPFNR-QGZVFWFLSA-N -1 3 398.868 3.932 20 5 GHBDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604435204 862204677 /nfs/dbraw/zinc/20/46/77/862204677.db2.gz RBEBJCIFFIHJII-UHFFFAOYSA-N -1 3 398.868 3.904 20 5 GHBDHM CCCCOc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000436618268 852099538 /nfs/dbraw/zinc/09/95/38/852099538.db2.gz RBRYMGXHWRTSHH-UHFFFAOYSA-N -1 3 386.404 3.514 20 5 GHBDHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507529656 853014848 /nfs/dbraw/zinc/01/48/48/853014848.db2.gz JVHBCOXKZUKNCA-UHFFFAOYSA-N -1 3 386.429 3.544 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC001212144994 853653334 /nfs/dbraw/zinc/65/33/34/853653334.db2.gz HCQYBFNINCCYLE-DZGCQCFKSA-N -1 3 395.868 3.648 20 5 GHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC)cc1OC ZINC000198124716 855922627 /nfs/dbraw/zinc/92/26/27/855922627.db2.gz BKXXPRLJNDENLD-UHFFFAOYSA-N -1 3 392.433 3.603 20 5 GHBDHM Cc1c(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cccc1[N+](=O)[O-] ZINC000485112533 856110719 /nfs/dbraw/zinc/11/07/19/856110719.db2.gz GFIBLISEURZCMX-UHFFFAOYSA-N -1 3 377.360 3.616 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c(F)cc1C ZINC001128827657 856801899 /nfs/dbraw/zinc/80/18/99/856801899.db2.gz AHHPSGWWXRBWHR-UHFFFAOYSA-N -1 3 394.330 3.619 20 5 GHBDHM Cc1noc2ncc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cc12 ZINC000485928934 857223784 /nfs/dbraw/zinc/22/37/84/857223784.db2.gz WSKXEJPPIOBRFG-UHFFFAOYSA-N -1 3 383.183 3.516 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(F)c(Cl)cc1F ZINC000486579179 857867246 /nfs/dbraw/zinc/86/72/46/857867246.db2.gz JZEHCXPPNNDTID-UHFFFAOYSA-N -1 3 378.722 3.591 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000151599481 858603183 /nfs/dbraw/zinc/60/31/83/858603183.db2.gz RJILXSADUOPPOQ-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230828 859146957 /nfs/dbraw/zinc/14/69/57/859146957.db2.gz KXXOMQSUYHVFOV-LKTVYLICSA-N -1 3 383.242 3.575 20 5 GHBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cn(C)c2ccccc12 ZINC000483122002 859150006 /nfs/dbraw/zinc/15/00/06/859150006.db2.gz BYCAYJPMMIOYJU-CYBMUJFWSA-N -1 3 389.415 3.641 20 5 GHBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cn(C)c2ccccc12 ZINC000483122003 859150120 /nfs/dbraw/zinc/15/01/20/859150120.db2.gz BYCAYJPMMIOYJU-ZDUSSCGKSA-N -1 3 389.415 3.641 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)cc2Cl)n1 ZINC000466463925 859615873 /nfs/dbraw/zinc/61/58/73/859615873.db2.gz KSKSYBSYGFWQKM-UHFFFAOYSA-N -1 3 391.584 3.619 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000728149936 860403992 /nfs/dbraw/zinc/40/39/92/860403992.db2.gz WFDGKHWHTQLTFJ-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM CC(C)CCn1ccc([N-]c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])n1 ZINC000302033890 861180396 /nfs/dbraw/zinc/18/03/96/861180396.db2.gz OLVKQBNGCOPCJI-UHFFFAOYSA-N -1 3 388.396 3.577 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000480805190 865312528 /nfs/dbraw/zinc/31/25/28/865312528.db2.gz KILAUBOORZREAL-UHFFFAOYSA-N -1 3 382.825 3.945 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000523164609 866816173 /nfs/dbraw/zinc/81/61/73/866816173.db2.gz XIRUYKSORLUIBK-JKSUJKDBSA-N -1 3 382.807 3.802 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001192998494 870811489 /nfs/dbraw/zinc/81/14/89/870811489.db2.gz JFSOCFBCGFUGOW-SFHVURJKSA-N -1 3 378.425 3.646 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH][n-]1 ZINC000540420162 871232430 /nfs/dbraw/zinc/23/24/30/871232430.db2.gz HYKLJNYIIZROGG-UHFFFAOYSA-N -1 3 390.321 3.986 20 5 GHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447255217 871269026 /nfs/dbraw/zinc/26/90/26/871269026.db2.gz FZKXOMSZVBGEIA-UHFFFAOYSA-N -1 3 390.392 3.978 20 5 GHBDHM CC(C)(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000541318841 873361776 /nfs/dbraw/zinc/36/17/76/873361776.db2.gz IPPFQIDFJSXMCI-UHFFFAOYSA-N -1 3 381.392 3.986 20 5 GHBDHM COc1cc(F)c(F)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000464674139 874279027 /nfs/dbraw/zinc/27/90/27/874279027.db2.gz YDVATMMLGQJGAY-UHFFFAOYSA-N -1 3 393.165 3.958 20 5 GHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1C ZINC000461206873 879348436 /nfs/dbraw/zinc/34/84/36/879348436.db2.gz HMVHVWTZPARRAE-UHFFFAOYSA-N -1 3 386.433 3.507 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(CCC(C)C)s2)cc1[N+](=O)[O-] ZINC000855190784 880338612 /nfs/dbraw/zinc/33/86/12/880338612.db2.gz MVZBFUQDPALGMT-UHFFFAOYSA-N -1 3 379.398 3.504 20 5 GHBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C)c2[N+](=O)[O-])[nH][n-]1 ZINC000609771560 883630047 /nfs/dbraw/zinc/63/00/47/883630047.db2.gz NFWFQYPHRQUTTF-UHFFFAOYSA-N -1 3 386.795 3.630 20 5 GHBDHM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914571871 884178090 /nfs/dbraw/zinc/17/80/90/884178090.db2.gz OAESYBAZXISKTQ-HEWZJLJBSA-N -1 3 381.432 3.551 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000498805039 885777521 /nfs/dbraw/zinc/77/75/21/885777521.db2.gz NLYDUPDIOZJKCC-UHFFFAOYSA-N -1 3 377.466 3.857 20 5 GHBDHM O=C(c1cc([O-])ccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000575940268 887884498 /nfs/dbraw/zinc/88/44/98/887884498.db2.gz LZVAZUHSDZDSLG-UHFFFAOYSA-N -1 3 376.796 3.637 20 5 GHBDHM Cc1c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c2ccccc2n1C ZINC000811832824 890018922 /nfs/dbraw/zinc/01/89/22/890018922.db2.gz ZLYFDOXIFDSWAB-UHFFFAOYSA-N -1 3 379.825 3.849 20 5 GHBDHM O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916880632 890324695 /nfs/dbraw/zinc/32/46/95/890324695.db2.gz DRVCFLYNLJRZQQ-UHFFFAOYSA-N -1 3 387.351 3.921 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nccs1 ZINC000124243212 891327601 /nfs/dbraw/zinc/32/76/01/891327601.db2.gz FQYABSUMGIGVMY-AWEZNQCLSA-N -1 3 389.886 3.617 20 5 GHBDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)oc21 ZINC000064244295 892503860 /nfs/dbraw/zinc/50/38/60/892503860.db2.gz UHNLEAGGBKACOQ-SNVBAGLBSA-N -1 3 396.446 3.841 20 5 GHBDHM O=C([N-][C@H]1CCCOc2c(F)cccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778212051 893348348 /nfs/dbraw/zinc/34/83/48/893348348.db2.gz SGPVERXBJXGJAD-HNNXBMFYSA-N -1 3 380.322 3.856 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455931 897332174 /nfs/dbraw/zinc/33/21/74/897332174.db2.gz OLHGCLSVHAGLGX-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455931 897332184 /nfs/dbraw/zinc/33/21/84/897332184.db2.gz OLHGCLSVHAGLGX-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1Cl ZINC000800052287 898538833 /nfs/dbraw/zinc/53/88/33/898538833.db2.gz OSMZJWFCROSYRI-UHFFFAOYSA-N -1 3 388.804 3.814 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000303464891 914818311 /nfs/dbraw/zinc/81/83/11/914818311.db2.gz HWOHCNNPBIFAIM-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000773195896 904552932 /nfs/dbraw/zinc/55/29/32/904552932.db2.gz BVLNMMMBJAJUHX-UHFFFAOYSA-N -1 3 388.376 3.891 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC001187129919 915044613 /nfs/dbraw/zinc/04/46/13/915044613.db2.gz PHKRQJBKBQZJRQ-HNNXBMFYSA-N -1 3 384.404 3.919 20 5 GHBDHM Cc1cc(C)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC001188489212 915971852 /nfs/dbraw/zinc/97/18/52/915971852.db2.gz MLYSIIJPDNFHNE-UHFFFAOYSA-N -1 3 382.869 3.694 20 5 GHBDHM COc1cc(Cl)cc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972797 916164675 /nfs/dbraw/zinc/16/46/75/916164675.db2.gz KQHIVBVRGRWKPR-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc1[N+](=O)[O-] ZINC000295682514 917421338 /nfs/dbraw/zinc/42/13/38/917421338.db2.gz VSXDZJVVNQWXIK-UHFFFAOYSA-N -1 3 382.829 3.554 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1[N+](=O)[O-] ZINC001190788047 917565685 /nfs/dbraw/zinc/56/56/85/917565685.db2.gz GRVAAQLSPSCUTR-CYBMUJFWSA-N -1 3 376.425 3.706 20 5 GHBDHM O=C([O-])Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000901541265 980369725 /nfs/dbraw/zinc/36/97/25/980369725.db2.gz SAKADOGDFFBTTJ-UHFFFAOYSA-N -1 3 383.448 3.502 20 5 GHBDHM COc1cccc(CN2CCC(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)c1 ZINC001599674056 994865062 /nfs/dbraw/zinc/86/50/62/994865062.db2.gz YMARFEJIJGGTGD-UHFFFAOYSA-N -1 3 399.447 3.687 20 5 GHBDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1nc2nc(Cl)ccc2[n-]1 ZINC001155179379 1032447582 /nfs/dbraw/zinc/44/75/82/1032447582.db2.gz WNVZEMHVYZDQNE-UHFFFAOYSA-N -1 3 389.806 3.542 20 5 GHBDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155179379 1032447584 /nfs/dbraw/zinc/44/75/84/1032447584.db2.gz WNVZEMHVYZDQNE-UHFFFAOYSA-N -1 3 389.806 3.542 20 5 GHBDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1nc2ccc(Cl)nc2[n-]1 ZINC001155179379 1032447586 /nfs/dbraw/zinc/44/75/86/1032447586.db2.gz WNVZEMHVYZDQNE-UHFFFAOYSA-N -1 3 389.806 3.542 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227741641 1032538458 /nfs/dbraw/zinc/53/84/58/1032538458.db2.gz POLSXYBYHCFUIE-CYBMUJFWSA-N -1 3 376.413 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227741641 1032538462 /nfs/dbraw/zinc/53/84/62/1032538462.db2.gz POLSXYBYHCFUIE-CYBMUJFWSA-N -1 3 376.413 3.640 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1cccc([O-])c1 ZINC000561949047 1017989183 /nfs/dbraw/zinc/98/91/83/1017989183.db2.gz ZKGQHFQPGKMPLS-UHFFFAOYSA-N -1 3 394.474 3.626 20 5 GHBDHM C[C@H](Oc1cc(O)cc([O-])c1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229098929 1033277957 /nfs/dbraw/zinc/27/79/57/1033277957.db2.gz GSEHPKPGXWJVJW-ZETCQYMHSA-N -1 3 398.165 3.637 20 5 GHBDHM CN(C)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)cc1 ZINC001139071667 1025874058 /nfs/dbraw/zinc/87/40/58/1025874058.db2.gz FQTSRFLCCDYTKS-AWEZNQCLSA-N -1 3 398.246 3.640 20 5 GHBDHM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001210595935 1027568130 /nfs/dbraw/zinc/56/81/30/1027568130.db2.gz YYLOHGBNKPGDEX-HUUCEWRRSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2F)c1C ZINC001213506800 1028231647 /nfs/dbraw/zinc/23/16/47/1028231647.db2.gz IIPUIHSPYVAFAQ-RDJZCZTQSA-N -1 3 378.425 3.516 20 5 GHBDHM CCOC(=O)c1[n-]c2ccccc2c1-c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001217298820 1030291640 /nfs/dbraw/zinc/29/16/40/1030291640.db2.gz DTFKIHPZFNLKIS-UHFFFAOYSA-N -1 3 397.322 3.504 20 5 GHBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225664786 1031530875 /nfs/dbraw/zinc/53/08/75/1031530875.db2.gz UGZFTEMIEMCVQH-LLVKDONJSA-N -1 3 384.219 3.656 20 5 GHBDHM O=c1cc[n-]c(O[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001225664786 1031530886 /nfs/dbraw/zinc/53/08/86/1031530886.db2.gz UGZFTEMIEMCVQH-LLVKDONJSA-N -1 3 384.219 3.656 20 5 GHBDHM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC001208392133 1034880849 /nfs/dbraw/zinc/88/08/49/1034880849.db2.gz KMCBRCBIBFFBMH-UHFFFAOYSA-N -1 3 389.458 3.505 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001247999121 1038531878 /nfs/dbraw/zinc/53/18/78/1038531878.db2.gz HMZGWIFQIYHNFE-UHFFFAOYSA-N -1 3 380.694 3.829 20 5 GHBDHM O=c1[n-]cnc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1-c1ccccc1 ZINC001234691329 1040224050 /nfs/dbraw/zinc/22/40/50/1040224050.db2.gz HILFSEJDGQBZHT-AWEZNQCLSA-N -1 3 396.378 3.554 20 5 GHBDHM CC(C)c1ccc(-c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001254873486 1040618199 /nfs/dbraw/zinc/61/81/99/1040618199.db2.gz XHQQICXDNPKIKZ-UHFFFAOYSA-N -1 3 378.186 3.921 20 5 GHBDHM CC(C)c1ccc(-c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001254873486 1040618216 /nfs/dbraw/zinc/61/82/16/1040618216.db2.gz XHQQICXDNPKIKZ-UHFFFAOYSA-N -1 3 378.186 3.921 20 5 GHBDHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001462841258 1070588970 /nfs/dbraw/zinc/58/89/70/1070588970.db2.gz NSPOCSCFFAFNAN-SNVBAGLBSA-N -1 3 389.260 3.811 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC001265338092 1047593412 /nfs/dbraw/zinc/59/34/12/1047593412.db2.gz JNTSRVBXBQSJKL-UHFFFAOYSA-N -1 3 399.334 3.736 20 5 GHBDHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001306817227 1048912868 /nfs/dbraw/zinc/91/28/68/1048912868.db2.gz DOBXXMSHWJCIAQ-UHFFFAOYSA-N -1 3 399.353 3.519 20 5 GHBDHM CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1c([O-])c(C)ncc1CO ZINC001308949988 1050209526 /nfs/dbraw/zinc/20/95/26/1050209526.db2.gz XFIUFHKBVLNHOT-UHFFFAOYSA-N -1 3 399.369 3.537 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2F)c(Cl)c1 ZINC001319108127 1055041960 /nfs/dbraw/zinc/04/19/60/1055041960.db2.gz KTNKXVPOLIEDQH-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001457895271 1063428139 /nfs/dbraw/zinc/42/81/39/1063428139.db2.gz VLWMKQALGNCNFM-UHFFFAOYSA-N -1 3 396.309 3.515 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC001463829194 1064654428 /nfs/dbraw/zinc/65/44/28/1064654428.db2.gz TUSHBJQHMDFTDQ-UHFFFAOYSA-N -1 3 392.399 3.862 20 5 GHBDHM O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469557410 1068223392 /nfs/dbraw/zinc/22/33/92/1068223392.db2.gz RGPFJNUWJOKJQH-KRWDZBQOSA-N -1 3 399.790 3.683 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC001475057431 1074715086 /nfs/dbraw/zinc/71/50/86/1074715086.db2.gz SASHQJBNZRGLDK-NXEZZACHSA-N -1 3 386.417 3.612 20 5 GHBDHM CN(Cc1ccccc1Cl)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828061 599255629 /nfs/dbraw/zinc/25/56/29/599255629.db2.gz GKQQWCPWKDIAID-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM CN(Cc1ccccc1Cl)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828061 599255630 /nfs/dbraw/zinc/25/56/30/599255630.db2.gz GKQQWCPWKDIAID-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738369647 598246005 /nfs/dbraw/zinc/24/60/05/598246005.db2.gz LFVJVYMGGGOWTM-XHDPSFHLSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738369647 598246007 /nfs/dbraw/zinc/24/60/07/598246007.db2.gz LFVJVYMGGGOWTM-XHDPSFHLSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738361675 598311120 /nfs/dbraw/zinc/31/11/20/598311120.db2.gz XTCWQYJDYDLOPE-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738361675 598311122 /nfs/dbraw/zinc/31/11/22/598311122.db2.gz XTCWQYJDYDLOPE-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368015 598499223 /nfs/dbraw/zinc/49/92/23/598499223.db2.gz BTOYIQQWOIRDDD-KRWDZBQOSA-N -1 3 379.424 3.903 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368015 598499225 /nfs/dbraw/zinc/49/92/25/598499225.db2.gz BTOYIQQWOIRDDD-KRWDZBQOSA-N -1 3 379.424 3.903 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1-c1nnn[n-]1 ZINC000736674258 598518484 /nfs/dbraw/zinc/51/84/84/598518484.db2.gz BHDRLGZNICTPHQ-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[n-]n1 ZINC000736674258 598518485 /nfs/dbraw/zinc/51/84/85/598518485.db2.gz BHDRLGZNICTPHQ-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)o1 ZINC000736237756 598814067 /nfs/dbraw/zinc/81/40/67/598814067.db2.gz PNCPADHXDOPOBY-XHDPSFHLSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)o1 ZINC000736237756 598814068 /nfs/dbraw/zinc/81/40/68/598814068.db2.gz PNCPADHXDOPOBY-XHDPSFHLSA-N -1 3 380.408 3.660 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736964302 599443661 /nfs/dbraw/zinc/44/36/61/599443661.db2.gz WVTMKAFOGUBULL-HWPZZCPQSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736964302 599443665 /nfs/dbraw/zinc/44/36/65/599443665.db2.gz WVTMKAFOGUBULL-HWPZZCPQSA-N -1 3 388.815 3.616 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823640150 599580503 /nfs/dbraw/zinc/58/05/03/599580503.db2.gz VJCJGAWSWMGIPW-LBPRGKRZSA-N -1 3 399.842 3.509 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823640150 599580507 /nfs/dbraw/zinc/58/05/07/599580507.db2.gz VJCJGAWSWMGIPW-LBPRGKRZSA-N -1 3 399.842 3.509 20 5 GHBDHM O=C([O-])N1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000739927094 599860616 /nfs/dbraw/zinc/86/06/16/599860616.db2.gz NDRALWFKODWJHH-NSHDSACASA-N -1 3 379.800 3.740 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574818 604681055 /nfs/dbraw/zinc/68/10/55/604681055.db2.gz NZXRGWNFHHPPFV-LNSITVRQSA-N -1 3 383.242 3.575 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(COc3cc(Cl)ccc3-c3nnn[n-]3)co2)cc1 ZINC000826498436 608023833 /nfs/dbraw/zinc/02/38/33/608023833.db2.gz UXQSQEVHZJCXRN-UHFFFAOYSA-N -1 3 398.766 3.662 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(COc3cc(Cl)ccc3-c3nn[n-]n3)co2)cc1 ZINC000826498436 608023834 /nfs/dbraw/zinc/02/38/34/608023834.db2.gz UXQSQEVHZJCXRN-UHFFFAOYSA-N -1 3 398.766 3.662 20 5 GHBDHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824939898 608163056 /nfs/dbraw/zinc/16/30/56/608163056.db2.gz XWPXTJMGMIGQNW-NXEZZACHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824939898 608163058 /nfs/dbraw/zinc/16/30/58/608163058.db2.gz XWPXTJMGMIGQNW-NXEZZACHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1F ZINC000824651286 608304582 /nfs/dbraw/zinc/30/45/82/608304582.db2.gz YXSWSXJCJPPAPI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(F)c1F ZINC000824651286 608304584 /nfs/dbraw/zinc/30/45/84/608304584.db2.gz YXSWSXJCJPPAPI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000540775654 609134922 /nfs/dbraw/zinc/13/49/22/609134922.db2.gz NXHMDLASFYNVFQ-UHFFFAOYSA-N -1 3 398.448 3.919 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000540775654 609134924 /nfs/dbraw/zinc/13/49/24/609134924.db2.gz NXHMDLASFYNVFQ-UHFFFAOYSA-N -1 3 398.448 3.919 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826497377 609491763 /nfs/dbraw/zinc/49/17/63/609491763.db2.gz FLBCCNJLEHWQGQ-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826497377 609491765 /nfs/dbraw/zinc/49/17/65/609491765.db2.gz FLBCCNJLEHWQGQ-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826497824 609491805 /nfs/dbraw/zinc/49/18/05/609491805.db2.gz VYCICZBKCFQTHF-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826497824 609491808 /nfs/dbraw/zinc/49/18/08/609491808.db2.gz VYCICZBKCFQTHF-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000175550705 836890859 /nfs/dbraw/zinc/89/08/59/836890859.db2.gz ZNSUJCQCZXJSOA-UHFFFAOYSA-N -1 3 395.371 3.972 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302244238 861250977 /nfs/dbraw/zinc/25/09/77/861250977.db2.gz RELOVXLZPIWERB-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)cc(=O)[n-]1 ZINC000509842845 843966103 /nfs/dbraw/zinc/96/61/03/843966103.db2.gz ATKBOAQDEXZOOM-GFCCVEGCSA-N -1 3 393.403 3.949 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000604024352 861605944 /nfs/dbraw/zinc/60/59/44/861605944.db2.gz HENIZRRCSCAFNP-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000511048321 845940568 /nfs/dbraw/zinc/94/05/68/845940568.db2.gz QKDXQHMOPTZKLB-UHFFFAOYSA-N -1 3 398.868 3.694 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1F ZINC000604042590 861625352 /nfs/dbraw/zinc/62/53/52/861625352.db2.gz VUQFFNGLPQWBOY-QMMMGPOBSA-N -1 3 376.768 3.566 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135511912 846502312 /nfs/dbraw/zinc/50/23/12/846502312.db2.gz OLPRBPOHRFNJTD-UHFFFAOYSA-N -1 3 396.375 3.826 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000135517748 846800123 /nfs/dbraw/zinc/80/01/23/846800123.db2.gz XHAOKIYEIKOXCK-UHFFFAOYSA-N -1 3 382.348 3.518 20 5 GHBDHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000617345414 847855013 /nfs/dbraw/zinc/85/50/13/847855013.db2.gz FWIUNORWNMRAEX-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732340568 862210986 /nfs/dbraw/zinc/21/09/86/862210986.db2.gz IFMLXUKTFCUXCX-UHFFFAOYSA-N -1 3 382.375 3.629 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000505798651 851514309 /nfs/dbraw/zinc/51/43/09/851514309.db2.gz FNXBOZNVHBPVLJ-HXUWFJFHSA-N -1 3 383.448 3.503 20 5 GHBDHM COc1cc(-c2nc3cc(Br)ccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000436658329 852176391 /nfs/dbraw/zinc/17/63/91/852176391.db2.gz UVNRBMYTZRFMNJ-UHFFFAOYSA-N -1 3 378.182 3.625 20 5 GHBDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520073421 853794622 /nfs/dbraw/zinc/79/46/22/853794622.db2.gz GRBDZDKBMUBGIA-LBPRGKRZSA-N -1 3 398.868 3.556 20 5 GHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485131911 856131950 /nfs/dbraw/zinc/13/19/50/856131950.db2.gz NXXACQXOWSJHPH-UHFFFAOYSA-N -1 3 377.360 3.697 20 5 GHBDHM CC(C)c1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1[N+](=O)[O-] ZINC000905751304 856507000 /nfs/dbraw/zinc/50/70/00/856507000.db2.gz VDEADGCBDMNPBO-ZDUSSCGKSA-N -1 3 375.450 3.862 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)on2)c(C)c([N+](=O)[O-])c1 ZINC000485992310 857321962 /nfs/dbraw/zinc/32/19/62/857321962.db2.gz SVWBKOTUSBZEGL-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000442920840 858245637 /nfs/dbraw/zinc/24/56/37/858245637.db2.gz DKXGGOLPPJLDBB-UHFFFAOYSA-N -1 3 381.266 3.933 20 5 GHBDHM CC(C)(C)c1noc(COc2ccc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC000596136063 858789158 /nfs/dbraw/zinc/78/91/58/858789158.db2.gz GJRBLPZTQVQWIG-UHFFFAOYSA-N -1 3 386.364 3.747 20 5 GHBDHM CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000596197901 858804832 /nfs/dbraw/zinc/80/48/32/858804832.db2.gz NKKDIDKCBFRXNE-UHFFFAOYSA-N -1 3 375.425 3.883 20 5 GHBDHM O=c1[n-]ccc(NCC2(Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596472000 858906065 /nfs/dbraw/zinc/90/60/65/858906065.db2.gz IXQDINJSGNXOTO-UHFFFAOYSA-N -1 3 378.226 3.893 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230824 859146840 /nfs/dbraw/zinc/14/68/40/859146840.db2.gz KXXOMQSUYHVFOV-KMUNFCNLSA-N -1 3 383.242 3.575 20 5 GHBDHM COc1cc(CNc2ncc(Cc3ccccc3F)s2)c([N+](=O)[O-])cc1[O-] ZINC000543681277 859411668 /nfs/dbraw/zinc/41/16/68/859411668.db2.gz VPUFVVHWMGSCFG-UHFFFAOYSA-N -1 3 389.408 3.529 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)c1 ZINC000727352991 860049502 /nfs/dbraw/zinc/04/95/02/860049502.db2.gz BQCBIJFDEPBGSV-HJWRWDBZSA-N -1 3 383.223 3.770 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([N+](=O)[O-])c(F)c3)nc(=O)c2c1C ZINC000728154820 860404951 /nfs/dbraw/zinc/40/49/51/860404951.db2.gz SRCQQFSPZNRPKO-MRVPVSSYSA-N -1 3 391.380 3.979 20 5 GHBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593580851 860450671 /nfs/dbraw/zinc/45/06/71/860450671.db2.gz MTLMBIJPKFMACJ-IUCAKERBSA-N -1 3 382.722 3.640 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000156556121 860831736 /nfs/dbraw/zinc/83/17/36/860831736.db2.gz WLIHNRWVHPCEPP-UHFFFAOYSA-N -1 3 399.628 3.575 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000522867665 863606534 /nfs/dbraw/zinc/60/65/34/863606534.db2.gz NMVFGTLWOXOUGL-UHFFFAOYSA-N -1 3 383.385 3.757 20 5 GHBDHM COc1ccccc1-c1cc(=NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000609201360 881711355 /nfs/dbraw/zinc/71/13/55/881711355.db2.gz FYPLWUVDTNAKKC-LBPRGKRZSA-N -1 3 398.444 3.535 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)c(Cl)c1F ZINC000184502991 864598975 /nfs/dbraw/zinc/59/89/75/864598975.db2.gz LWOWCIIBBZZSPC-UHFFFAOYSA-N -1 3 379.710 3.564 20 5 GHBDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000063773773 865325598 /nfs/dbraw/zinc/32/55/98/865325598.db2.gz PACTYDHIPIQJIV-UHFFFAOYSA-N -1 3 398.868 3.513 20 5 GHBDHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])CCCC2)n1 ZINC000481043589 865714462 /nfs/dbraw/zinc/71/44/62/865714462.db2.gz VHXBWMXSBLYGSH-UHFFFAOYSA-N -1 3 395.506 3.724 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000608789477 865725008 /nfs/dbraw/zinc/72/50/08/865725008.db2.gz UADFTTLTKQQWAX-BLLLJJGKSA-N -1 3 380.404 3.695 20 5 GHBDHM CSCc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000445731329 868934539 /nfs/dbraw/zinc/93/45/39/868934539.db2.gz GWUWWFADQUOOBD-UHFFFAOYSA-N -1 3 386.882 3.590 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1[N+](=O)[O-] ZINC001193172684 870907272 /nfs/dbraw/zinc/90/72/72/870907272.db2.gz WZMBBANCXWHDGD-UHFFFAOYSA-N -1 3 380.388 3.613 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000619447294 872634923 /nfs/dbraw/zinc/63/49/23/872634923.db2.gz SSQLUQZVDKUMOC-UHFFFAOYSA-N -1 3 392.437 3.639 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000619447294 872634929 /nfs/dbraw/zinc/63/49/29/872634929.db2.gz SSQLUQZVDKUMOC-UHFFFAOYSA-N -1 3 392.437 3.639 20 5 GHBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786028037 876395024 /nfs/dbraw/zinc/39/50/24/876395024.db2.gz ILXHZENKCFEICC-QMMMGPOBSA-N -1 3 377.740 3.507 20 5 GHBDHM Cc1nc(CC(C)C)sc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000609420942 883177624 /nfs/dbraw/zinc/17/76/24/883177624.db2.gz LTLYREJNQMYOJZ-UHFFFAOYSA-N -1 3 385.449 3.623 20 5 GHBDHM COc1ccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000609482514 883274735 /nfs/dbraw/zinc/27/47/35/883274735.db2.gz HQQJVJSOGXXXHT-UHFFFAOYSA-N -1 3 388.430 3.858 20 5 GHBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001183837557 912841255 /nfs/dbraw/zinc/84/12/55/912841255.db2.gz XRRGXVVLYWRXMV-UHFFFAOYSA-N -1 3 396.309 3.515 20 5 GHBDHM O=C([N-]Cc1csc(-c2ccco2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778375990 894707002 /nfs/dbraw/zinc/70/70/02/894707002.db2.gz AGKLKEOCXIHRQC-UHFFFAOYSA-N -1 3 379.344 3.720 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000569156443 898375473 /nfs/dbraw/zinc/37/54/73/898375473.db2.gz WPPZWHAMGYUTMG-OAHLLOKOSA-N -1 3 385.468 3.846 20 5 GHBDHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F)CC2 ZINC000800052232 898539056 /nfs/dbraw/zinc/53/90/56/898539056.db2.gz MINPHZBNAWINEX-UHFFFAOYSA-N -1 3 392.408 3.780 20 5 GHBDHM Cc1cc(Cl)ccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837432 903528094 /nfs/dbraw/zinc/52/80/94/903528094.db2.gz LAYQNIVJBKCONY-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(Cl)ccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837432 903528099 /nfs/dbraw/zinc/52/80/99/903528099.db2.gz LAYQNIVJBKCONY-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000578709954 904070357 /nfs/dbraw/zinc/07/03/57/904070357.db2.gz LUIVNPLRHRDFBH-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4scnc4c3)no2)[n-]nc1C(F)(F)F ZINC001212972927 916164621 /nfs/dbraw/zinc/16/46/21/916164621.db2.gz MLCIEVWDRGVERV-UHFFFAOYSA-N -1 3 382.283 3.663 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)c([N+](=O)[O-])s1 ZINC001189702068 916844690 /nfs/dbraw/zinc/84/46/90/916844690.db2.gz WGVOGNJKJWBDLY-JKSUJKDBSA-N -1 3 388.470 3.952 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930767 920616196 /nfs/dbraw/zinc/61/61/96/920616196.db2.gz RDSGFUXFEBJNON-UHFFFAOYSA-N -1 3 385.785 3.520 20 5 GHBDHM COc1cc(C(=O)[N-]c2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OC(F)F ZINC000010809007 924391630 /nfs/dbraw/zinc/39/16/30/924391630.db2.gz YVQXJAMLJUQWOZ-UHFFFAOYSA-N -1 3 392.236 3.874 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000467429577 929062620 /nfs/dbraw/zinc/06/26/20/929062620.db2.gz YKBMHKCJCWTIKG-UHFFFAOYSA-N -1 3 386.433 3.848 20 5 GHBDHM Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000562190372 934752540 /nfs/dbraw/zinc/75/25/40/934752540.db2.gz PAVCKSDPUZYOMS-UHFFFAOYSA-N -1 3 389.824 3.780 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2conc2CC)c([N+](=O)[O-])cc1OCCC ZINC001124538352 935407758 /nfs/dbraw/zinc/40/77/58/935407758.db2.gz AHDMMVIOTKHOLE-UHFFFAOYSA-N -1 3 377.397 3.975 20 5 GHBDHM CC(C)(C)[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825708 949890305 /nfs/dbraw/zinc/89/03/05/949890305.db2.gz BIWSUXDIUIGISD-HOCLYGCPSA-N -1 3 381.440 3.950 20 5 GHBDHM CC(C)(C)[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825708 949890321 /nfs/dbraw/zinc/89/03/21/949890321.db2.gz BIWSUXDIUIGISD-HOCLYGCPSA-N -1 3 381.440 3.950 20 5 GHBDHM O=C([O-])CC1(NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCCC1 ZINC001574677952 962562790 /nfs/dbraw/zinc/56/27/90/962562790.db2.gz GQHYTIXCXMRPCN-UHFFFAOYSA-N -1 3 394.815 3.565 20 5 GHBDHM CCN1CCN(c2ccc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC001596442512 984137345 /nfs/dbraw/zinc/13/73/45/984137345.db2.gz WLCCEGPRVURFBL-WMZJFQQLSA-N -1 3 396.447 3.578 20 5 GHBDHM C[C@H](NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001593305146 994759608 /nfs/dbraw/zinc/75/96/08/994759608.db2.gz XASKMYQZELOJBH-NSHDSACASA-N -1 3 398.444 3.850 20 5 GHBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CC2 ZINC000754108485 1022487631 /nfs/dbraw/zinc/48/76/31/1022487631.db2.gz ZTBBSDVPRAZMFJ-UHFFFAOYSA-N -1 3 376.372 3.861 20 5 GHBDHM CSc1ccc(Br)cc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001164255857 1026466724 /nfs/dbraw/zinc/46/67/24/1026466724.db2.gz XMLCPNPNSSDOIR-UHFFFAOYSA-N -1 3 384.255 3.834 20 5 GHBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)C1 ZINC001209900911 1027268677 /nfs/dbraw/zinc/26/86/77/1027268677.db2.gz SAAPFXLWZIQJNM-NXEZZACHSA-N -1 3 380.388 3.717 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001213447296 1028197008 /nfs/dbraw/zinc/19/70/08/1028197008.db2.gz ZZYIGDODRHPQHZ-UHFFFAOYSA-N -1 3 389.458 3.505 20 5 GHBDHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001154147131 1031950946 /nfs/dbraw/zinc/95/09/46/1031950946.db2.gz PBBHXXSYOJWXDJ-UHFFFAOYSA-N -1 3 397.394 3.698 20 5 GHBDHM COC(=O)c1cccc2c(C(=O)Nc3cc4cccnc4c4ncccc34)n[n-]c21 ZINC001154147131 1031950953 /nfs/dbraw/zinc/95/09/53/1031950953.db2.gz PBBHXXSYOJWXDJ-UHFFFAOYSA-N -1 3 397.394 3.698 20 5 GHBDHM C[C@@H](Oc1cccc([O-])c1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229140161 1033303130 /nfs/dbraw/zinc/30/31/30/1033303130.db2.gz VQIREPKXYMFKSV-MRVPVSSYSA-N -1 3 382.166 3.932 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(c3ccccc3)CC2)c(F)c1 ZINC001463056746 1070761834 /nfs/dbraw/zinc/76/18/34/1070761834.db2.gz FSJBFQJWIDUKQF-UHFFFAOYSA-N -1 3 392.452 3.986 20 5 GHBDHM O=C(NCc1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1)Nc1ccccc1 ZINC001307112993 1049082483 /nfs/dbraw/zinc/08/24/83/1049082483.db2.gz VDTCJGQFCUTHTC-UHFFFAOYSA-N -1 3 380.360 3.809 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001309412323 1050695215 /nfs/dbraw/zinc/69/52/15/1050695215.db2.gz CIBSBBXRQHQIKW-NSHDSACASA-N -1 3 386.520 3.732 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001309847430 1051003188 /nfs/dbraw/zinc/00/31/88/1051003188.db2.gz VNIHWIKRNUYMAI-LBPRGKRZSA-N -1 3 389.458 3.758 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC001440001482 1058382184 /nfs/dbraw/zinc/38/21/84/1058382184.db2.gz NAGZQXXCPYFZAI-UHFFFAOYSA-N -1 3 388.767 3.554 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)cc1[N+](=O)[O-] ZINC001463652757 1064528736 /nfs/dbraw/zinc/52/87/36/1064528736.db2.gz UHBPTSJTLHJZKC-UKRRQHHQSA-N -1 3 396.415 3.796 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001463654965 1064530447 /nfs/dbraw/zinc/53/04/47/1064530447.db2.gz DGEJUYAIUKNNQH-HUUCEWRRSA-N -1 3 378.425 3.739 20 5 GHBDHM Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC001460169207 1068827431 /nfs/dbraw/zinc/82/74/31/1068827431.db2.gz ZOKJKBATOVVMLM-UHFFFAOYSA-N -1 3 376.166 3.761 20 5 GHBDHM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cnc2cc(F)c(F)cc2c1[O-] ZINC001472588585 1073563308 /nfs/dbraw/zinc/56/33/08/1073563308.db2.gz GJFITSQNVCHKEV-UHFFFAOYSA-N -1 3 396.309 3.515 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCc1ccsc1 ZINC001475800337 1075024493 /nfs/dbraw/zinc/02/44/93/1075024493.db2.gz YXGSHBFGCWBFTJ-UHFFFAOYSA-N -1 3 394.396 3.586 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000738368262 598854939 /nfs/dbraw/zinc/85/49/39/598854939.db2.gz BEDCLAPOUOIPJC-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821482926 599110875 /nfs/dbraw/zinc/11/08/75/599110875.db2.gz WOSNYSZBIHUHOI-SJCJKPOMSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821482926 599110878 /nfs/dbraw/zinc/11/08/78/599110878.db2.gz WOSNYSZBIHUHOI-SJCJKPOMSA-N -1 3 382.424 3.908 20 5 GHBDHM C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736140360 599120587 /nfs/dbraw/zinc/12/05/87/599120587.db2.gz UOYWGRRJIVKOJG-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736140360 599120589 /nfs/dbraw/zinc/12/05/89/599120589.db2.gz UOYWGRRJIVKOJG-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)s3)cc(-c3nnn[n-]3)c2c1 ZINC000738366125 599271351 /nfs/dbraw/zinc/27/13/51/599271351.db2.gz DFYQTHVLQKUFOA-UHFFFAOYSA-N -1 3 387.812 3.650 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)s3)cc(-c3nn[n-]n3)c2c1 ZINC000738366125 599271353 /nfs/dbraw/zinc/27/13/53/599271353.db2.gz DFYQTHVLQKUFOA-UHFFFAOYSA-N -1 3 387.812 3.650 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)o1 ZINC000736237754 598814025 /nfs/dbraw/zinc/81/40/25/598814025.db2.gz PNCPADHXDOPOBY-NHYWBVRUSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)o1 ZINC000736237754 598814026 /nfs/dbraw/zinc/81/40/26/598814026.db2.gz PNCPADHXDOPOBY-NHYWBVRUSA-N -1 3 380.408 3.660 20 5 GHBDHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822275895 599493166 /nfs/dbraw/zinc/49/31/66/599493166.db2.gz ZMSLGVQAEROWFQ-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822275895 599493169 /nfs/dbraw/zinc/49/31/69/599493169.db2.gz ZMSLGVQAEROWFQ-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822233103 599562473 /nfs/dbraw/zinc/56/24/73/599562473.db2.gz HZVFTGUKHDOQOE-INIZCTEOSA-N -1 3 391.391 3.566 20 5 GHBDHM Cc1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822233103 599562474 /nfs/dbraw/zinc/56/24/74/599562474.db2.gz HZVFTGUKHDOQOE-INIZCTEOSA-N -1 3 391.391 3.566 20 5 GHBDHM Cc1nc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)ccc1[N+](=O)[O-] ZINC000822452820 606712206 /nfs/dbraw/zinc/71/22/06/606712206.db2.gz ALPAVVACAAGTCF-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823639526 606879669 /nfs/dbraw/zinc/87/96/69/606879669.db2.gz CDJPQDQWNYELCM-MRXNPFEDSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC3(CCC3)Oc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823639526 606879670 /nfs/dbraw/zinc/87/96/70/606879670.db2.gz CDJPQDQWNYELCM-MRXNPFEDSA-N -1 3 378.392 3.633 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccccc3-c3nnn[n-]3)co2)cc1 ZINC000826498002 608024047 /nfs/dbraw/zinc/02/40/47/608024047.db2.gz CTJCZEMMCVKMAP-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSc3ccccc3-c3nn[n-]n3)co2)cc1 ZINC000826498002 608024048 /nfs/dbraw/zinc/02/40/48/608024048.db2.gz CTJCZEMMCVKMAP-UHFFFAOYSA-N -1 3 380.389 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)nc1-c1ccccc1 ZINC000826498580 608051011 /nfs/dbraw/zinc/05/10/11/608051011.db2.gz BHIYTYBAFWJBCG-UHFFFAOYSA-N -1 3 391.366 3.588 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)nc1-c1ccccc1 ZINC000826498580 608051012 /nfs/dbraw/zinc/05/10/12/608051012.db2.gz BHIYTYBAFWJBCG-UHFFFAOYSA-N -1 3 391.366 3.588 20 5 GHBDHM Cc1ccc2oc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)cc2c1 ZINC000826295748 608165130 /nfs/dbraw/zinc/16/51/30/608165130.db2.gz WHGXRCKUPLLTDE-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)cc2c1 ZINC000826295748 608165131 /nfs/dbraw/zinc/16/51/31/608165131.db2.gz WHGXRCKUPLLTDE-UHFFFAOYSA-N -1 3 398.766 3.735 20 5 GHBDHM Cc1cccc([C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000826297001 608230638 /nfs/dbraw/zinc/23/06/38/608230638.db2.gz RGJUMRHMFPQQTF-IBGZPJMESA-N -1 3 387.403 3.680 20 5 GHBDHM Cc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000826297001 608230640 /nfs/dbraw/zinc/23/06/40/608230640.db2.gz RGJUMRHMFPQQTF-IBGZPJMESA-N -1 3 387.403 3.680 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826497706 609491437 /nfs/dbraw/zinc/49/14/37/609491437.db2.gz QVGGGMVKROGJFV-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826497706 609491439 /nfs/dbraw/zinc/49/14/39/609491439.db2.gz QVGGGMVKROGJFV-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869235 609597535 /nfs/dbraw/zinc/59/75/35/609597535.db2.gz ZJAXPKPTPHGGME-KOLCDFICSA-N -1 3 392.847 3.829 20 5 GHBDHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869235 609597537 /nfs/dbraw/zinc/59/75/37/609597537.db2.gz ZJAXPKPTPHGGME-KOLCDFICSA-N -1 3 392.847 3.829 20 5 GHBDHM O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187009229 834964171 /nfs/dbraw/zinc/96/41/71/834964171.db2.gz DCFUUBMMSJULQK-UHFFFAOYSA-N -1 3 394.771 3.864 20 5 GHBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583758353 834988551 /nfs/dbraw/zinc/98/85/51/834988551.db2.gz FXWARCQVWQWHJA-JZKQVHKSSA-N -1 3 394.468 3.571 20 5 GHBDHM CC(C)(C)c1nc2cc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000180816641 836279585 /nfs/dbraw/zinc/27/95/85/836279585.db2.gz QHMNEGYSJQAPDX-UHFFFAOYSA-N -1 3 388.449 3.711 20 5 GHBDHM COc1cc(C[NH2+]CCCCCCCCCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000276977479 844232370 /nfs/dbraw/zinc/23/23/70/844232370.db2.gz HYFDZOYAJLLQSL-UHFFFAOYSA-N -1 3 382.457 3.994 20 5 GHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000122897224 838686191 /nfs/dbraw/zinc/68/61/91/838686191.db2.gz RCGIJLYTGBEVIG-MRXNPFEDSA-N -1 3 378.431 3.626 20 5 GHBDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000432321619 843602995 /nfs/dbraw/zinc/60/29/95/843602995.db2.gz HFZAKKQIMMHUAY-UHFFFAOYSA-N -1 3 390.889 3.510 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000502969501 846673655 /nfs/dbraw/zinc/67/36/55/846673655.db2.gz MFUHKQGQPKHCOS-IPOQPSJVSA-N -1 3 392.415 3.865 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c1C ZINC000420739170 847418693 /nfs/dbraw/zinc/41/86/93/847418693.db2.gz OZLQNATZKLGVSD-CQSZACIVSA-N -1 3 384.404 3.886 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479119368 847478170 /nfs/dbraw/zinc/47/81/70/847478170.db2.gz JCGHKAYAIMIFMU-CQSZACIVSA-N -1 3 392.330 3.624 20 5 GHBDHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489077659 851984711 /nfs/dbraw/zinc/98/47/11/851984711.db2.gz KLUNHSVLOSJJQC-UHFFFAOYSA-N -1 3 390.421 3.550 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)n1 ZINC000427112843 852743118 /nfs/dbraw/zinc/74/31/18/852743118.db2.gz DDRWWYGSCPMPFK-UHFFFAOYSA-N -1 3 385.327 3.692 20 5 GHBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473856170 852780567 /nfs/dbraw/zinc/78/05/67/852780567.db2.gz KZFPVEFCYCGOED-GOSISDBHSA-N -1 3 393.403 3.587 20 5 GHBDHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000462320898 855465939 /nfs/dbraw/zinc/46/59/39/855465939.db2.gz TUGSEWMNUXXUIC-GFCCVEGCSA-N -1 3 398.868 3.729 20 5 GHBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000521763299 858308028 /nfs/dbraw/zinc/30/80/28/858308028.db2.gz VAVMGFCCZFMMFI-UHFFFAOYSA-N -1 3 385.401 3.561 20 5 GHBDHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000764441252 859450167 /nfs/dbraw/zinc/45/01/67/859450167.db2.gz FEVDXQDKIXRGCW-UITAMQMPSA-N -1 3 379.372 3.848 20 5 GHBDHM O=C(Nc1cccc(COc2cccc(F)c2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484255980 859903150 /nfs/dbraw/zinc/90/31/50/859903150.db2.gz KKPGYEMKHAQPTL-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM O=C(CNC(=O)c1ccc([O-])cc1)OCc1nc2ccccc2c2ccccc12 ZINC000727541952 860129668 /nfs/dbraw/zinc/12/96/68/860129668.db2.gz IDMBYCFMLFDRAH-UHFFFAOYSA-N -1 3 386.407 3.567 20 5 GHBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000593580734 860446559 /nfs/dbraw/zinc/44/65/59/860446559.db2.gz MTLMBIJPKFMACJ-BDAKNGLRSA-N -1 3 382.722 3.640 20 5 GHBDHM C[C@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000544557682 860791207 /nfs/dbraw/zinc/79/12/07/860791207.db2.gz GPBSWCZPLZGLDU-VIFPVBQESA-N -1 3 390.321 3.566 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC001211896793 864924505 /nfs/dbraw/zinc/92/45/05/864924505.db2.gz GRDQBFBNKCLFKH-ZDUSSCGKSA-N -1 3 393.303 3.850 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000609068513 867461909 /nfs/dbraw/zinc/46/19/09/867461909.db2.gz JMFOHCMHWGQZEK-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM Cc1nc(C(C)(C)C)sc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523833599 868030643 /nfs/dbraw/zinc/03/06/43/868030643.db2.gz FWBONLCOUMZOLY-UHFFFAOYSA-N -1 3 385.449 3.722 20 5 GHBDHM Cc1nc(CC(C)C)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)s1 ZINC000446866396 870614910 /nfs/dbraw/zinc/61/49/10/870614910.db2.gz OUNNOYLOVWSNPW-UHFFFAOYSA-N -1 3 385.449 3.623 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@]2(c3ccccc3)CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001192998493 870811529 /nfs/dbraw/zinc/81/15/29/870811529.db2.gz JFSOCFBCGFUGOW-GOSISDBHSA-N -1 3 378.425 3.646 20 5 GHBDHM COc1cc(CNc2nnc(Cc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1[O-] ZINC000181812768 871497491 /nfs/dbraw/zinc/49/74/91/871497491.db2.gz NXHOQFUALCXGFZ-UHFFFAOYSA-N -1 3 390.396 3.503 20 5 GHBDHM Cc1nc2ccc(S(=O)(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)cc2s1 ZINC000794043140 882545668 /nfs/dbraw/zinc/54/56/68/882545668.db2.gz QBYWECFYVDTMEM-UHFFFAOYSA-N -1 3 381.410 3.761 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1ccccc1Cl ZINC000103360627 871826190 /nfs/dbraw/zinc/82/61/90/871826190.db2.gz WIKLIINADRLPCC-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM C[C@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001195118558 872181065 /nfs/dbraw/zinc/18/10/65/872181065.db2.gz VQKBYZIPBUEVSP-GFCCVEGCSA-N -1 3 390.889 3.512 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(F)cc1F ZINC000460458922 873699868 /nfs/dbraw/zinc/69/98/68/873699868.db2.gz IKOMXLMMUMBYQB-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM CC(C)(C)OC(=O)NCCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201224768 875586357 /nfs/dbraw/zinc/58/63/57/875586357.db2.gz UNAUTPCRIJEWBS-UHFFFAOYSA-N -1 3 389.408 3.948 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786138960 876467709 /nfs/dbraw/zinc/46/77/09/876467709.db2.gz FMEIUKUSVSVVHY-UHFFFAOYSA-N -1 3 386.385 3.619 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccncc1 ZINC000786977510 877082740 /nfs/dbraw/zinc/08/27/40/877082740.db2.gz DCNXWRNFOBFYID-GFCCVEGCSA-N -1 3 390.248 3.726 20 5 GHBDHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609920748 877190410 /nfs/dbraw/zinc/19/04/10/877190410.db2.gz GDCOFWCRZGPDJN-UHFFFAOYSA-N -1 3 377.187 3.966 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cs1 ZINC000790651777 879917187 /nfs/dbraw/zinc/91/71/87/879917187.db2.gz PPAGTOOWTHRBGS-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1c(C)noc1C ZINC000119342793 886929162 /nfs/dbraw/zinc/92/91/62/886929162.db2.gz MSPFWICZBIQSSU-GFCCVEGCSA-N -1 3 387.845 3.591 20 5 GHBDHM Cc1ccsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810131 887821570 /nfs/dbraw/zinc/82/15/70/887821570.db2.gz LWEUXBXHSATEAM-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM CN(C)c1cc(F)c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC001132720021 889361805 /nfs/dbraw/zinc/36/18/05/889361805.db2.gz KBBYEOZQDKONCP-UHFFFAOYSA-N -1 3 375.253 3.609 20 5 GHBDHM Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(Br)c1 ZINC000916860502 890297970 /nfs/dbraw/zinc/29/79/70/890297970.db2.gz VHECXVQAOTUCDW-UHFFFAOYSA-N -1 3 376.166 3.761 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 ZINC000064343166 891227011 /nfs/dbraw/zinc/22/70/11/891227011.db2.gz ZULFUXILQBAMLH-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497563947 891871603 /nfs/dbraw/zinc/87/16/03/891871603.db2.gz ONTALSNVEYXQOE-UHFFFAOYSA-N -1 3 391.412 3.783 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1nc2ccccc2cc1Cl ZINC000565804235 895893020 /nfs/dbraw/zinc/89/30/20/895893020.db2.gz KFCCKRJUNJUZKS-UHFFFAOYSA-N -1 3 393.790 3.861 20 5 GHBDHM CSc1ccc([O-])c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001136840439 899470918 /nfs/dbraw/zinc/47/09/18/899470918.db2.gz QGJLEMVHOUHKTQ-KRWDZBQOSA-N -1 3 376.459 3.910 20 5 GHBDHM CCOc1cc([N-]C(=O)c2cc(C(C)=O)cs2)c([N+](=O)[O-])cc1OCC ZINC000264378671 903054118 /nfs/dbraw/zinc/05/41/18/903054118.db2.gz UAXNITBDMSCJTR-UHFFFAOYSA-N -1 3 378.406 3.909 20 5 GHBDHM Cc1ccc(Cl)cc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837430 903528125 /nfs/dbraw/zinc/52/81/25/903528125.db2.gz KWZDCJHDEDOBIF-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1ccc(Cl)cc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837430 903528126 /nfs/dbraw/zinc/52/81/26/903528126.db2.gz KWZDCJHDEDOBIF-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(F)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1Br ZINC001212844064 903684949 /nfs/dbraw/zinc/68/49/49/903684949.db2.gz JJLLEPZZWLEQMR-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM CSc1ccc([O-])c(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1 ZINC001147337994 903759995 /nfs/dbraw/zinc/75/99/95/903759995.db2.gz ZSUZWKMGNNSWIF-UHFFFAOYSA-N -1 3 375.450 3.563 20 5 GHBDHM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(F)cc1Br ZINC001212935788 911769084 /nfs/dbraw/zinc/76/90/84/911769084.db2.gz NCJRBKOWJQBTFR-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM Cc1cc2ccccc2nc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973174 916167967 /nfs/dbraw/zinc/16/79/67/916167967.db2.gz UEOHJGNPNWTNEL-UHFFFAOYSA-N -1 3 390.281 3.910 20 5 GHBDHM CC(C)Oc1cccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973362 916169485 /nfs/dbraw/zinc/16/94/85/916169485.db2.gz YJHFFZXYYYXDCL-UHFFFAOYSA-N -1 3 383.286 3.841 20 5 GHBDHM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800929761 920614834 /nfs/dbraw/zinc/61/48/34/920614834.db2.gz OOSVFZPIKLJORO-UHFFFAOYSA-N -1 3 380.397 3.764 20 5 GHBDHM O=C1[N-]C(=O)C(=CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000783678584 931615229 /nfs/dbraw/zinc/61/52/29/931615229.db2.gz HLSXFZHGTZCNSL-XFFZJAGNSA-N -1 3 378.171 3.625 20 5 GHBDHM O=c1cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-]c(C(F)(F)F)c1 ZINC001227584591 1032473020 /nfs/dbraw/zinc/47/30/20/1032473020.db2.gz UVSVAPBKNCSJRD-JTQLQIEISA-N -1 3 387.289 3.511 20 5 GHBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744645 1032540214 /nfs/dbraw/zinc/54/02/14/1032540214.db2.gz HKBSBHMZGAEQDA-DABQJJPHSA-N -1 3 388.424 3.780 20 5 GHBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227744645 1032540225 /nfs/dbraw/zinc/54/02/25/1032540225.db2.gz HKBSBHMZGAEQDA-DABQJJPHSA-N -1 3 388.424 3.780 20 5 GHBDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001228133446 1032800308 /nfs/dbraw/zinc/80/03/08/1032800308.db2.gz GQFPXJSQAARTEP-LJQANCHMSA-N -1 3 387.388 3.673 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228670669 1033035605 /nfs/dbraw/zinc/03/56/05/1033035605.db2.gz ALRUSGSNUWSFHS-CYBMUJFWSA-N -1 3 390.440 3.948 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228672250 1033036699 /nfs/dbraw/zinc/03/66/99/1033036699.db2.gz RKEIGUYWSDUJLQ-NEPJUHHUSA-N -1 3 376.413 3.556 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228674251 1033037141 /nfs/dbraw/zinc/03/71/41/1033037141.db2.gz JTMOEOZWVSTLCB-LRDDRELGSA-N -1 3 390.440 3.804 20 5 GHBDHM Cc1[n-]c(=O)cc(OC2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c1[N+](=O)[O-] ZINC001228685738 1033044623 /nfs/dbraw/zinc/04/46/23/1033044623.db2.gz JXWKAAXTTVJHKB-UHFFFAOYSA-N -1 3 393.440 3.562 20 5 GHBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000839311530 1025798077 /nfs/dbraw/zinc/79/80/77/1025798077.db2.gz KEGLFGRBMBJLCR-UHFFFAOYSA-N -1 3 381.772 3.536 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1Nc1ccc(I)cc1[O-] ZINC001210447511 1027515308 /nfs/dbraw/zinc/51/53/08/1027515308.db2.gz GBNLINVNIJWIDH-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H]2CCC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001217966139 1030694045 /nfs/dbraw/zinc/69/40/45/1030694045.db2.gz ZHJBUFCWQZNCSE-CQSZACIVSA-N -1 3 395.455 3.997 20 5 GHBDHM COc1c([O-])ccc2c(=O)c3c(O[C@H]4CC[C@H]([NH+](C)C)CC4)cc([O-])cc3oc21 ZINC001234752437 1040280598 /nfs/dbraw/zinc/28/05/98/1040280598.db2.gz WPXHJKLKYYAYST-MQMHXKEQSA-N -1 3 399.443 3.618 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC001462746365 1070519649 /nfs/dbraw/zinc/51/96/49/1070519649.db2.gz IHPPYNMXNAWZJK-NSHDSACASA-N -1 3 388.467 3.619 20 5 GHBDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293142 1043959165 /nfs/dbraw/zinc/95/91/65/1043959165.db2.gz ABONNKHKHKHLIW-NXEZZACHSA-N -1 3 390.197 3.710 20 5 GHBDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293142 1043959168 /nfs/dbraw/zinc/95/91/68/1043959168.db2.gz ABONNKHKHKHLIW-NXEZZACHSA-N -1 3 390.197 3.710 20 5 GHBDHM C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307154062 1043960930 /nfs/dbraw/zinc/96/09/30/1043960930.db2.gz UGFCIDUXCURSML-UWVGGRQHSA-N -1 3 398.341 3.789 20 5 GHBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001295410051 1045002520 /nfs/dbraw/zinc/00/25/20/1045002520.db2.gz CKGSCTHGLQDDCM-UHFFFAOYSA-N -1 3 396.321 3.825 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC001462977986 1070705234 /nfs/dbraw/zinc/70/52/34/1070705234.db2.gz FJSHRDCJTVLFSA-UHFFFAOYSA-N -1 3 389.260 3.813 20 5 GHBDHM COc1cc(C(=O)[N-]c2csnc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001265277698 1047586971 /nfs/dbraw/zinc/58/69/71/1047586971.db2.gz XNHCIIHHLHVNCT-UHFFFAOYSA-N -1 3 385.401 3.988 20 5 GHBDHM C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001304194029 1047610583 /nfs/dbraw/zinc/61/05/83/1047610583.db2.gz OTPXOQJYENVFIZ-SNVBAGLBSA-N -1 3 379.210 3.596 20 5 GHBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC001309243455 1050511706 /nfs/dbraw/zinc/51/17/06/1050511706.db2.gz JNDNSDWSPMTMKC-GJZGRUSLSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])s1 ZINC001309276091 1050546651 /nfs/dbraw/zinc/54/66/51/1050546651.db2.gz XSQMYUQGXMDAID-QMMMGPOBSA-N -1 3 378.834 3.797 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(C3CCCCC3)cc2)nc1 ZINC001309677404 1050914416 /nfs/dbraw/zinc/91/44/16/1050914416.db2.gz YLEHZIASPSXIDE-UHFFFAOYSA-N -1 3 389.477 3.559 20 5 GHBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(F)(F)F ZINC001309782789 1050971485 /nfs/dbraw/zinc/97/14/85/1050971485.db2.gz ZEYHMZMFONFLGM-UHFFFAOYSA-N -1 3 382.404 3.859 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001325941669 1057386270 /nfs/dbraw/zinc/38/62/70/1057386270.db2.gz DMSLENUTSOKYLY-UHFFFAOYSA-N -1 3 395.868 3.645 20 5 GHBDHM CN(C)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454581953 1061860565 /nfs/dbraw/zinc/86/05/65/1061860565.db2.gz XHVGPUWDDNCNNX-INIZCTEOSA-N -1 3 398.246 3.640 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccccc1[N+](=O)[O-] ZINC001463778314 1064609103 /nfs/dbraw/zinc/60/91/03/1064609103.db2.gz SCINLASYRUNOGS-UHFFFAOYSA-N -1 3 390.248 3.510 20 5 GHBDHM Cc1ccc(-c2csc([N-]C(=O)c3c(F)ccnc3F)n2)cc1[N+](=O)[O-] ZINC001351902384 1064687676 /nfs/dbraw/zinc/68/76/76/1064687676.db2.gz NLCJUOUVORLINF-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001474839291 1074587461 /nfs/dbraw/zinc/58/74/61/1074587461.db2.gz IHHNFJODVOVARZ-MRXNPFEDSA-N -1 3 384.404 3.939 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001475139560 1074754100 /nfs/dbraw/zinc/75/41/00/1074754100.db2.gz ATPYYYCNQRSQIQ-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(COC3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738368377 598859026 /nfs/dbraw/zinc/85/90/26/598859026.db2.gz CSYAFDSQFWEOKT-UHFFFAOYSA-N -1 3 380.408 3.978 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(COC3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738368377 598859028 /nfs/dbraw/zinc/85/90/28/598859028.db2.gz CSYAFDSQFWEOKT-UHFFFAOYSA-N -1 3 380.408 3.978 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)nc1 ZINC000823645569 599112654 /nfs/dbraw/zinc/11/26/54/599112654.db2.gz UCPBBHGMGFBQCG-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)nc1 ZINC000823645569 599112657 /nfs/dbraw/zinc/11/26/57/599112657.db2.gz UCPBBHGMGFBQCG-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822228645 599486240 /nfs/dbraw/zinc/48/62/40/599486240.db2.gz BDTUYUAMUHUOKS-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822228645 599486241 /nfs/dbraw/zinc/48/62/41/599486241.db2.gz BDTUYUAMUHUOKS-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821778415 599503915 /nfs/dbraw/zinc/50/39/15/599503915.db2.gz ZQSHXOWBSOQOAJ-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821778415 599503918 /nfs/dbraw/zinc/50/39/18/599503918.db2.gz ZQSHXOWBSOQOAJ-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833552201 604950751 /nfs/dbraw/zinc/95/07/51/604950751.db2.gz XWPNRTFAVZRYEU-OCCSQVGLSA-N -1 3 388.424 3.529 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000826498385 608016572 /nfs/dbraw/zinc/01/65/72/608016572.db2.gz SGAMAWWDRSZPQR-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CSCc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000826498385 608016573 /nfs/dbraw/zinc/01/65/73/608016573.db2.gz SGAMAWWDRSZPQR-UHFFFAOYSA-N -1 3 394.416 3.863 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826497895 608077315 /nfs/dbraw/zinc/07/73/15/608077315.db2.gz YAMJGORLBGHCGG-HNNXBMFYSA-N -1 3 391.391 3.648 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000826497895 608077316 /nfs/dbraw/zinc/07/73/16/608077316.db2.gz YAMJGORLBGHCGG-HNNXBMFYSA-N -1 3 391.391 3.648 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826497357 608091481 /nfs/dbraw/zinc/09/14/81/608091481.db2.gz DXYBIITZMNVQDE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826497357 608091482 /nfs/dbraw/zinc/09/14/82/608091482.db2.gz DXYBIITZMNVQDE-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCCCCC1 ZINC000826450566 608163962 /nfs/dbraw/zinc/16/39/62/608163962.db2.gz ROZGPCSVMAUDID-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCCCCC1 ZINC000826450566 608163964 /nfs/dbraw/zinc/16/39/64/608163964.db2.gz ROZGPCSVMAUDID-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000023345884 834348401 /nfs/dbraw/zinc/34/84/01/834348401.db2.gz JVCZVDAJRAJTDO-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Br)cnc1Cl ZINC000065670151 834612171 /nfs/dbraw/zinc/61/21/71/834612171.db2.gz DLQFBEPQOLDTQU-UHFFFAOYSA-N -1 3 392.543 3.936 20 5 GHBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000187926582 835154453 /nfs/dbraw/zinc/15/44/53/835154453.db2.gz WNQBXCDVFCXYFW-UHFFFAOYSA-N -1 3 379.372 3.551 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Br)ccc1[O-] ZINC000179653706 835934028 /nfs/dbraw/zinc/93/40/28/835934028.db2.gz AITSLWIOUWXBJY-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000517483912 839890869 /nfs/dbraw/zinc/89/08/69/839890869.db2.gz CDHXGKMKAQFZMB-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1cccc([O-])c1 ZINC000302141212 861219437 /nfs/dbraw/zinc/21/94/37/861219437.db2.gz PBLCDWFSMCDIJB-UHFFFAOYSA-N -1 3 379.337 3.745 20 5 GHBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC001126165177 842330563 /nfs/dbraw/zinc/33/05/63/842330563.db2.gz KFCGSLALDJSUCD-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000512145890 842638788 /nfs/dbraw/zinc/63/87/88/842638788.db2.gz YNLBUXKDJVRVCL-JTQLQIEISA-N -1 3 378.834 3.878 20 5 GHBDHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509750422 843893292 /nfs/dbraw/zinc/89/32/92/843893292.db2.gz JAYBOZJOBAUCBP-HNNXBMFYSA-N -1 3 378.450 3.732 20 5 GHBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001211546459 847332462 /nfs/dbraw/zinc/33/24/62/847332462.db2.gz JLHXERHWKVNDOL-ZYHUDNBSSA-N -1 3 380.388 3.861 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)CC1 ZINC000604200123 861967876 /nfs/dbraw/zinc/96/78/76/861967876.db2.gz BWHKFVMTDRFWIN-IBGZPJMESA-N -1 3 383.448 3.503 20 5 GHBDHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000514730887 850233166 /nfs/dbraw/zinc/23/31/66/850233166.db2.gz GWPPKEIRKORBMH-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000486989451 850322116 /nfs/dbraw/zinc/32/21/16/850322116.db2.gz UMVRPYZKPODHCM-UHFFFAOYSA-N -1 3 376.237 3.779 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000488664609 851680199 /nfs/dbraw/zinc/68/01/99/851680199.db2.gz AETQKNSFCHYHCF-UHFFFAOYSA-N -1 3 399.266 3.571 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000426797829 852407020 /nfs/dbraw/zinc/40/70/20/852407020.db2.gz GSDKCQMLUYJVJS-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426823904 852436318 /nfs/dbraw/zinc/43/63/18/852436318.db2.gz KNGRBUBKRJTQEB-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436960516 852532675 /nfs/dbraw/zinc/53/26/75/852532675.db2.gz QVAUZSIPALXBCW-QAPCUYQASA-N -1 3 383.448 3.598 20 5 GHBDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000481853348 862406961 /nfs/dbraw/zinc/40/69/61/862406961.db2.gz HMENFQMFLXNTNC-UHFFFAOYSA-N -1 3 382.825 3.783 20 5 GHBDHM CCOc1ccc(F)c([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1F ZINC000536281594 854412440 /nfs/dbraw/zinc/41/24/40/854412440.db2.gz RBOMRIGKNPRLRB-UHFFFAOYSA-N -1 3 382.319 3.541 20 5 GHBDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172182893 856364735 /nfs/dbraw/zinc/36/47/35/856364735.db2.gz IZVFGCAIFLDVOB-UHFFFAOYSA-N -1 3 397.840 3.706 20 5 GHBDHM O=C(Cc1ccccc1[N+](=O)[O-])N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000508064057 856870503 /nfs/dbraw/zinc/87/05/03/856870503.db2.gz QMFIQIFQLZQCJS-UHFFFAOYSA-N -1 3 391.214 3.895 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000173828628 857164946 /nfs/dbraw/zinc/16/49/46/857164946.db2.gz CLBIHEGFFIZKAT-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000486015043 857334430 /nfs/dbraw/zinc/33/44/30/857334430.db2.gz YVHIZAIWNGCTHK-AWEZNQCLSA-N -1 3 392.330 3.624 20 5 GHBDHM C[C@H](CCc1cccc(F)c1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439146432 858537710 /nfs/dbraw/zinc/53/77/10/858537710.db2.gz IATGGJMBLOIMNU-CYBMUJFWSA-N -1 3 382.395 3.753 20 5 GHBDHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000067454478 858573782 /nfs/dbraw/zinc/57/37/82/858573782.db2.gz ILWLXIDPBGTXEI-MRXNPFEDSA-N -1 3 377.784 3.549 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000792632089 881356527 /nfs/dbraw/zinc/35/65/27/881356527.db2.gz SNQKCRBATXGWFX-UHFFFAOYSA-N -1 3 393.739 3.504 20 5 GHBDHM O=C([N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[C@H]1CC1(Cl)Cl ZINC000840526647 860683308 /nfs/dbraw/zinc/68/33/08/860683308.db2.gz IORQZWAUVPFRIA-HZGVNTEJSA-N -1 3 375.105 3.647 20 5 GHBDHM COc1cc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c([N+](=O)[O-])cc1[O-] ZINC000593674138 860786813 /nfs/dbraw/zinc/78/68/13/860786813.db2.gz OOZYTGZIKVMGJF-AWEZNQCLSA-N -1 3 376.384 3.840 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000609196672 881630677 /nfs/dbraw/zinc/63/06/77/881630677.db2.gz RZMWNLYAVDKWEQ-KRWDZBQOSA-N -1 3 382.388 3.693 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1(c2cccc(Cl)c2)CC1 ZINC000609202072 881709692 /nfs/dbraw/zinc/70/96/92/881709692.db2.gz HLDTWWSZDSIQHX-UHFFFAOYSA-N -1 3 382.807 3.731 20 5 GHBDHM O=C(CCCCCc1ccc(O)cc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000609202227 881714523 /nfs/dbraw/zinc/71/45/23/881714523.db2.gz MBLDLBWJULJAKL-UHFFFAOYSA-N -1 3 394.431 3.854 20 5 GHBDHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000127184271 866030339 /nfs/dbraw/zinc/03/03/39/866030339.db2.gz GZVRIWUWEDHCFZ-UHFFFAOYSA-N -1 3 390.339 3.564 20 5 GHBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742302239 867185042 /nfs/dbraw/zinc/18/50/42/867185042.db2.gz VQHWUPHMJZSOOC-MNOVXSKESA-N -1 3 391.287 3.604 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000742303345 867186999 /nfs/dbraw/zinc/18/69/99/867186999.db2.gz AKAVXDJZOYJVKN-SNVBAGLBSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC2 ZINC000444994517 867592436 /nfs/dbraw/zinc/59/24/36/867592436.db2.gz DNBZABKPWOPSSX-UHFFFAOYSA-N -1 3 396.428 3.868 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000539502280 869236998 /nfs/dbraw/zinc/23/69/98/869236998.db2.gz YBOBYZHDTPRVEU-UHFFFAOYSA-N -1 3 395.209 3.779 20 5 GHBDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446939769 870743816 /nfs/dbraw/zinc/74/38/16/870743816.db2.gz BNDOEWXIXRCTBY-JTQLQIEISA-N -1 3 392.355 3.506 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001193914017 871391323 /nfs/dbraw/zinc/39/13/23/871391323.db2.gz DXDHUCWDSZBXRQ-ZDUSSCGKSA-N -1 3 390.795 3.685 20 5 GHBDHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770404265 874650748 /nfs/dbraw/zinc/65/07/48/874650748.db2.gz JFJFZLXZBUHFDA-LJQANCHMSA-N -1 3 393.399 3.614 20 5 GHBDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)Cc1ccccc1[N+](=O)[O-] ZINC000192636724 882992250 /nfs/dbraw/zinc/99/22/50/882992250.db2.gz NWSQUHKPMUMQBZ-UHFFFAOYSA-N -1 3 396.428 3.785 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000746939207 879910116 /nfs/dbraw/zinc/91/01/16/879910116.db2.gz UIBKRAYHOCJQPG-UHFFFAOYSA-N -1 3 398.337 3.939 20 5 GHBDHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609443997 883197664 /nfs/dbraw/zinc/19/76/64/883197664.db2.gz FLBYZMLFWTZJAP-UHFFFAOYSA-N -1 3 376.344 3.568 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H]4C[C@@H]43)c([N+](=O)[O-])c2)c(C)c1 ZINC000804688715 883250607 /nfs/dbraw/zinc/25/06/07/883250607.db2.gz QTFUREVFKRLSEY-KDOFPFPSSA-N -1 3 387.461 3.611 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2occc2COc2ccccc2)cc([N+](=O)[O-])c1 ZINC000609838692 883743556 /nfs/dbraw/zinc/74/35/56/883743556.db2.gz GASKOTVPHMKSGS-UHFFFAOYSA-N -1 3 396.355 3.806 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)cs2)n1 ZINC000191467003 885056455 /nfs/dbraw/zinc/05/64/55/885056455.db2.gz BUYVJGLOANUGJF-UHFFFAOYSA-N -1 3 389.462 3.909 20 5 GHBDHM O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193557795 886722582 /nfs/dbraw/zinc/72/25/82/886722582.db2.gz NQIANQJUYSWHKF-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000809235720 887217246 /nfs/dbraw/zinc/21/72/46/887217246.db2.gz FNWHAEMLMZCAPO-HNNXBMFYSA-N -1 3 384.766 3.844 20 5 GHBDHM O=C([N-]c1nc2cnccn2n1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001132527559 889018895 /nfs/dbraw/zinc/01/88/95/889018895.db2.gz GKWIMJJZCQGROB-UHFFFAOYSA-N -1 3 398.448 3.567 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497563904 891872038 /nfs/dbraw/zinc/87/20/38/891872038.db2.gz OAYFLWMHOSIZMV-UHFFFAOYSA-N -1 3 391.412 3.783 20 5 GHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000497660713 892121299 /nfs/dbraw/zinc/12/12/99/892121299.db2.gz IBLLSOHBOPOCGS-UHFFFAOYSA-N -1 3 396.494 3.687 20 5 GHBDHM O=C(Nc1ccc(Br)cc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778237164 893535065 /nfs/dbraw/zinc/53/50/65/893535065.db2.gz UCKPFSCMFVSCSC-UHFFFAOYSA-N -1 3 387.136 3.793 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C2CC2)C1 ZINC001212233216 893541840 /nfs/dbraw/zinc/54/18/40/893541840.db2.gz UIFGHRUGSVDRJX-WCQYABFASA-N -1 3 392.399 3.861 20 5 GHBDHM CCc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821477124 897916827 /nfs/dbraw/zinc/91/68/27/897916827.db2.gz ZGCXVUXTJMXCDY-ZDUSSCGKSA-N -1 3 394.435 3.561 20 5 GHBDHM CCc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821477124 897916834 /nfs/dbraw/zinc/91/68/34/897916834.db2.gz ZGCXVUXTJMXCDY-ZDUSSCGKSA-N -1 3 394.435 3.561 20 5 GHBDHM CCCN(C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338504 898557383 /nfs/dbraw/zinc/55/73/83/898557383.db2.gz BWTLKZWJCNALBS-INIZCTEOSA-N -1 3 391.855 3.767 20 5 GHBDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001186058694 914288683 /nfs/dbraw/zinc/28/86/83/914288683.db2.gz SJPBIGUVWNNHGM-MRXNPFEDSA-N -1 3 378.425 3.825 20 5 GHBDHM COC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c2ccccc12 ZINC000600851392 903004464 /nfs/dbraw/zinc/00/44/64/903004464.db2.gz PUEGIPRZVAMJFG-UHFFFAOYSA-N -1 3 382.372 3.861 20 5 GHBDHM Cc1nn(C)c(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c1[N+](=O)[O-] ZINC000134992841 903606515 /nfs/dbraw/zinc/60/65/15/903606515.db2.gz CWIYOMBNAMVHPR-UHFFFAOYSA-N -1 3 390.799 3.900 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001212937000 911784841 /nfs/dbraw/zinc/78/48/41/911784841.db2.gz IUULETGSVUOKDY-UHFFFAOYSA-N -1 3 377.316 3.600 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187102347 915035666 /nfs/dbraw/zinc/03/56/66/915035666.db2.gz VRRXSCBLXNNLEC-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM CC1(c2ccccc2)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001188126435 915767669 /nfs/dbraw/zinc/76/76/69/915767669.db2.gz ROQQIMIXWKECLY-UHFFFAOYSA-N -1 3 392.452 3.913 20 5 GHBDHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001191044045 917748842 /nfs/dbraw/zinc/74/88/42/917748842.db2.gz FAOPBORILRSZLB-YGRLFVJLSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C(F)(F)F ZINC000800928913 920613008 /nfs/dbraw/zinc/61/30/08/920613008.db2.gz YRCOSWVVRVWHAU-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011808997 925635055 /nfs/dbraw/zinc/63/50/55/925635055.db2.gz FGHHNMYPIMLZJF-UHFFFAOYSA-N -1 3 392.582 3.679 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000467760328 929381295 /nfs/dbraw/zinc/38/12/95/929381295.db2.gz STHHIGAFBARBKL-LBPRGKRZSA-N -1 3 376.406 3.754 20 5 GHBDHM COc1cc(F)c([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000778000158 934581899 /nfs/dbraw/zinc/58/18/99/934581899.db2.gz NBMRIKQNAQZIBW-SNVBAGLBSA-N -1 3 398.337 3.720 20 5 GHBDHM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778035324 934750373 /nfs/dbraw/zinc/75/03/73/934750373.db2.gz MJFXLZMANQBXOM-UHFFFAOYSA-N -1 3 385.710 3.565 20 5 GHBDHM CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595364153 980790714 /nfs/dbraw/zinc/79/07/14/980790714.db2.gz PMFSKZIGWBIUNE-IBGZPJMESA-N -1 3 383.448 3.562 20 5 GHBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(Br)c2F)c1 ZINC000468209611 1015412398 /nfs/dbraw/zinc/41/23/98/1015412398.db2.gz PBZULUOCJVMEIQ-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001593197233 994161246 /nfs/dbraw/zinc/16/12/46/994161246.db2.gz YNAKPLNJTSXVNJ-ZUZCIYMTSA-N -1 3 379.210 3.834 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470631808 1016844673 /nfs/dbraw/zinc/84/46/73/1016844673.db2.gz JJECRZDAZYTHHG-UHFFFAOYSA-N -1 3 393.787 3.862 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740904 1032537796 /nfs/dbraw/zinc/53/77/96/1032537796.db2.gz CIVAQDZSLITALA-WBMJQRKESA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740904 1032537805 /nfs/dbraw/zinc/53/78/05/1032537805.db2.gz CIVAQDZSLITALA-WBMJQRKESA-N -1 3 390.440 3.886 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227742390 1032539526 /nfs/dbraw/zinc/53/95/26/1032539526.db2.gz YTPFZBXFFRAWSY-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227742390 1032539535 /nfs/dbraw/zinc/53/95/35/1032539535.db2.gz YTPFZBXFFRAWSY-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000839235790 1025748665 /nfs/dbraw/zinc/74/86/65/1025748665.db2.gz MUPXVCKHUGNOEB-VIFPVBQESA-N -1 3 383.376 3.784 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC001211349430 1027917043 /nfs/dbraw/zinc/91/70/43/1027917043.db2.gz YDXWZIXTAPJSIZ-LBPRGKRZSA-N -1 3 382.404 3.857 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001213886366 1028429244 /nfs/dbraw/zinc/42/92/44/1028429244.db2.gz NYWQLMOXAQTYLQ-JTQLQIEISA-N -1 3 389.260 3.984 20 5 GHBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])c(I)c2)c1F ZINC001215295116 1029136807 /nfs/dbraw/zinc/13/68/07/1029136807.db2.gz SCDLJLLNLRWKIM-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001209129044 1035186236 /nfs/dbraw/zinc/18/62/36/1035186236.db2.gz YMVXDWICVKUNSK-UHFFFAOYSA-N -1 3 382.869 3.856 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001247998469 1038531101 /nfs/dbraw/zinc/53/11/01/1038531101.db2.gz DTUFSJQDIOLDEX-UHFFFAOYSA-N -1 3 393.403 3.887 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])s1 ZINC001462924749 1070664637 /nfs/dbraw/zinc/66/46/37/1070664637.db2.gz KUVHWBFWNWMIGE-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001475313799 1050347881 /nfs/dbraw/zinc/34/78/81/1050347881.db2.gz ZCTMPBFGBCYKQW-LLVKDONJSA-N -1 3 391.287 3.771 20 5 GHBDHM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001309309821 1050580821 /nfs/dbraw/zinc/58/08/21/1050580821.db2.gz RXBOFMFNFADJMW-OAHLLOKOSA-N -1 3 392.477 3.867 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001309440372 1050721124 /nfs/dbraw/zinc/72/11/24/1050721124.db2.gz AIQAEGVCDNSHCD-KRWDZBQOSA-N -1 3 384.404 3.857 20 5 GHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C(F)(F)F)o1 ZINC001309627848 1050876953 /nfs/dbraw/zinc/87/69/53/1050876953.db2.gz DYQIMUGTSGHTHW-CQSZACIVSA-N -1 3 392.355 3.695 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001355457131 1057167729 /nfs/dbraw/zinc/16/77/29/1057167729.db2.gz HYUVMGOHPMTAHM-UHFFFAOYSA-N -1 3 382.307 3.956 20 5 GHBDHM CC(C)Nc1cc(Br)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001453563632 1061156919 /nfs/dbraw/zinc/15/69/19/1061156919.db2.gz IYVDYVMTHKTENA-UHFFFAOYSA-N -1 3 395.213 3.531 20 5 GHBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001436248130 1063326669 /nfs/dbraw/zinc/32/66/69/1063326669.db2.gz TVBLTBPGRNXRGH-UHFFFAOYSA-N -1 3 379.348 3.642 20 5 GHBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001465961319 1065939151 /nfs/dbraw/zinc/93/91/51/1065939151.db2.gz VWJCYJDHCTUAIL-UHFFFAOYSA-N -1 3 397.250 3.715 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)n1 ZINC001472530502 1073533573 /nfs/dbraw/zinc/53/35/73/1073533573.db2.gz WFEFAWJAVHPIGD-UHFFFAOYSA-N -1 3 393.153 3.561 20 5 GHBDHM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001475130083 1074749643 /nfs/dbraw/zinc/74/96/43/1074749643.db2.gz MBRGABXIYNGQFX-NSHDSACASA-N -1 3 388.367 3.962 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2C=CCC2)c(C(F)(F)F)c1 ZINC001475639177 1074990430 /nfs/dbraw/zinc/99/04/30/1074990430.db2.gz PVOQTNOOMFRSPL-NSHDSACASA-N -1 3 378.372 3.638 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000738366608 599253387 /nfs/dbraw/zinc/25/33/87/599253387.db2.gz FYYFJEINUMSMIR-KRWDZBQOSA-N -1 3 387.403 3.813 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000738366608 599253390 /nfs/dbraw/zinc/25/33/90/599253390.db2.gz FYYFJEINUMSMIR-KRWDZBQOSA-N -1 3 387.403 3.813 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000736134334 599271732 /nfs/dbraw/zinc/27/17/32/599271732.db2.gz BRISSFHASMEQGE-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000736134334 599271733 /nfs/dbraw/zinc/27/17/33/599271733.db2.gz BRISSFHASMEQGE-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738369644 598245681 /nfs/dbraw/zinc/24/56/81/598245681.db2.gz LFVJVYMGGGOWTM-IAQYHMDHSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738369644 598245683 /nfs/dbraw/zinc/24/56/83/598245683.db2.gz LFVJVYMGGGOWTM-IAQYHMDHSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2cccc(Oc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000823651793 599343593 /nfs/dbraw/zinc/34/35/93/599343593.db2.gz QSDNUEDSGAXGNS-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2cccc(Oc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000823651793 599343595 /nfs/dbraw/zinc/34/35/95/599343595.db2.gz QSDNUEDSGAXGNS-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736961790 599443505 /nfs/dbraw/zinc/44/35/05/599443505.db2.gz LUWGRSWZFRJYJN-MGPLVRAMSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736961790 599443508 /nfs/dbraw/zinc/44/35/08/599443508.db2.gz LUWGRSWZFRJYJN-MGPLVRAMSA-N -1 3 388.815 3.616 20 5 GHBDHM Cc1ccc([C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000738570064 599708130 /nfs/dbraw/zinc/70/81/30/599708130.db2.gz XQGHZGHONAOHGT-KKMIYCERSA-N -1 3 385.420 3.843 20 5 GHBDHM O=C([O-])N1CCC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000739926802 599860719 /nfs/dbraw/zinc/86/07/19/599860719.db2.gz LTIWYUNRZJRHSP-HNNXBMFYSA-N -1 3 389.383 3.758 20 5 GHBDHM O=C([O-])N1CCC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000739926803 599860800 /nfs/dbraw/zinc/86/08/00/599860800.db2.gz LTIWYUNRZJRHSP-OAHLLOKOSA-N -1 3 389.383 3.758 20 5 GHBDHM O=[N+]([O-])c1cc(F)c(Oc2ccc(Br)cc2-c2nnn[n-]2)c(F)c1 ZINC000826498241 607467235 /nfs/dbraw/zinc/46/72/35/607467235.db2.gz MOTYGDZNKRAPQA-UHFFFAOYSA-N -1 3 398.123 3.608 20 5 GHBDHM O=[N+]([O-])c1cc(F)c(Oc2ccc(Br)cc2-c2nn[n-]n2)c(F)c1 ZINC000826498241 607467237 /nfs/dbraw/zinc/46/72/37/607467237.db2.gz MOTYGDZNKRAPQA-UHFFFAOYSA-N -1 3 398.123 3.608 20 5 GHBDHM O=C([O-])NC[C@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000832512328 603172617 /nfs/dbraw/zinc/17/26/17/603172617.db2.gz CYFLHVRKGZFYMW-CZUORRHYSA-N -1 3 390.465 3.634 20 5 GHBDHM CCS[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456290 606401031 /nfs/dbraw/zinc/40/10/31/606401031.db2.gz OWIQNWVMZLAUGY-AAEUAGOBSA-N -1 3 399.480 3.799 20 5 GHBDHM CCS[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821456290 606401032 /nfs/dbraw/zinc/40/10/32/606401032.db2.gz OWIQNWVMZLAUGY-AAEUAGOBSA-N -1 3 399.480 3.799 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000822229165 606733227 /nfs/dbraw/zinc/73/32/27/606733227.db2.gz OCUWMQBIPQNRSO-NSHDSACASA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000822229165 606733228 /nfs/dbraw/zinc/73/32/28/606733228.db2.gz OCUWMQBIPQNRSO-NSHDSACASA-N -1 3 393.382 3.944 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cc(Br)ccc1Cl ZINC000826497761 607867547 /nfs/dbraw/zinc/86/75/47/607867547.db2.gz TVMOOMIBEVWHPM-UHFFFAOYSA-N -1 3 396.588 3.983 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cc(Br)ccc1Cl ZINC000826497761 607867548 /nfs/dbraw/zinc/86/75/48/607867548.db2.gz TVMOOMIBEVWHPM-UHFFFAOYSA-N -1 3 396.588 3.983 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)nc1-c1ccccc1 ZINC000826499723 608051607 /nfs/dbraw/zinc/05/16/07/608051607.db2.gz UOUJVWGEDXWYNY-UHFFFAOYSA-N -1 3 378.323 3.768 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)nc1-c1ccccc1 ZINC000826499723 608051608 /nfs/dbraw/zinc/05/16/08/608051608.db2.gz UOUJVWGEDXWYNY-UHFFFAOYSA-N -1 3 378.323 3.768 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nnn[n-]1 ZINC000825688162 608156138 /nfs/dbraw/zinc/15/61/38/608156138.db2.gz RFHIDNQLYAGIGY-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nn[n-]n1 ZINC000825688162 608156139 /nfs/dbraw/zinc/15/61/39/608156139.db2.gz RFHIDNQLYAGIGY-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825259385 608161103 /nfs/dbraw/zinc/16/11/03/608161103.db2.gz JAXMZPYDMMPVQP-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825259385 608161104 /nfs/dbraw/zinc/16/11/04/608161104.db2.gz JAXMZPYDMMPVQP-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1sccc1C1CC1 ZINC000826451268 608163881 /nfs/dbraw/zinc/16/38/81/608163881.db2.gz YHNNTQAFOOPVIC-UHFFFAOYSA-N -1 3 390.812 3.620 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1sccc1C1CC1 ZINC000826451268 608163883 /nfs/dbraw/zinc/16/38/83/608163883.db2.gz YHNNTQAFOOPVIC-UHFFFAOYSA-N -1 3 390.812 3.620 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825342664 609540946 /nfs/dbraw/zinc/54/09/46/609540946.db2.gz VYUWMMOHELDZOV-UHFFFAOYSA-N -1 3 398.448 3.838 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825342664 609540948 /nfs/dbraw/zinc/54/09/48/609540948.db2.gz VYUWMMOHELDZOV-UHFFFAOYSA-N -1 3 398.448 3.838 20 5 GHBDHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000414375954 837477931 /nfs/dbraw/zinc/47/79/31/837477931.db2.gz SQKHUBAYMOPDAP-UHFFFAOYSA-N -1 3 380.422 3.554 20 5 GHBDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023345855 834348328 /nfs/dbraw/zinc/34/83/28/834348328.db2.gz YPSMQGOCNVNGBT-MRVPVSSYSA-N -1 3 393.808 3.975 20 5 GHBDHM O=C(Nc1ccc(NCCc2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187071678 835000734 /nfs/dbraw/zinc/00/07/34/835000734.db2.gz XBTCTCQVBQHMEX-UHFFFAOYSA-N -1 3 378.388 3.602 20 5 GHBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000187164532 835204374 /nfs/dbraw/zinc/20/43/74/835204374.db2.gz MFGXLOKTNKQEMM-UHFFFAOYSA-N -1 3 395.195 3.850 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000176968546 835401561 /nfs/dbraw/zinc/40/15/61/835401561.db2.gz NDIMFXVSMWFDFN-UHFFFAOYSA-N -1 3 392.202 3.794 20 5 GHBDHM CCCc1[nH]nc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1[N+](=O)[O-] ZINC000179807991 836006174 /nfs/dbraw/zinc/00/61/74/836006174.db2.gz CUVSECOCGKBCTN-UHFFFAOYSA-N -1 3 380.404 3.819 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000549255736 839624866 /nfs/dbraw/zinc/62/48/66/839624866.db2.gz URQAKVLGCFSVIC-CABCVRRESA-N -1 3 382.807 3.802 20 5 GHBDHM COc1c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cccc1[N+](=O)[O-] ZINC000477150828 841838438 /nfs/dbraw/zinc/83/84/38/841838438.db2.gz NCFLVHGPPHRDMF-UHFFFAOYSA-N -1 3 388.380 3.822 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000511925132 842447883 /nfs/dbraw/zinc/44/78/83/842447883.db2.gz CSMOHDSLEGXLRS-NSHDSACASA-N -1 3 388.367 3.962 20 5 GHBDHM Cc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cnn1C1CCCCC1 ZINC000512310703 843360552 /nfs/dbraw/zinc/36/05/52/843360552.db2.gz YXEPVZMLQLFFEV-UHFFFAOYSA-N -1 3 394.435 3.669 20 5 GHBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(Br)ccc1[O-] ZINC000486792624 850099118 /nfs/dbraw/zinc/09/91/18/850099118.db2.gz FBGIMBADWWMHOL-UHFFFAOYSA-N -1 3 387.136 3.522 20 5 GHBDHM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000910375186 851163226 /nfs/dbraw/zinc/16/32/26/851163226.db2.gz ZOKDEKUDNQKMIP-QGZVFWFLSA-N -1 3 377.828 3.590 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)oc2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000489755425 852574500 /nfs/dbraw/zinc/57/45/00/852574500.db2.gz JQDRGJVNNIEWLX-UHFFFAOYSA-N -1 3 395.371 3.906 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(Cl)c1 ZINC000490001846 852698068 /nfs/dbraw/zinc/69/80/68/852698068.db2.gz KQBFABPIWIZQGS-SNVBAGLBSA-N -1 3 382.816 3.742 20 5 GHBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437365952 853047124 /nfs/dbraw/zinc/04/71/24/853047124.db2.gz UCLORVWTANHUPR-UHFFFAOYSA-N -1 3 384.295 3.977 20 5 GHBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000427508352 853166395 /nfs/dbraw/zinc/16/63/95/853166395.db2.gz AFHPPMSNMDZLBA-UHFFFAOYSA-N -1 3 381.310 3.771 20 5 GHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000184519126 854658495 /nfs/dbraw/zinc/65/84/95/854658495.db2.gz OSTRYXKZHNRJRW-UHFFFAOYSA-N -1 3 394.499 3.927 20 5 GHBDHM CCCCS(=O)(=O)[N-]Cc1nc(-c2c3ccccc3nc3ccccc32)no1 ZINC000624749957 855853577 /nfs/dbraw/zinc/85/35/77/855853577.db2.gz MLCZQGRMDCQJPB-UHFFFAOYSA-N -1 3 396.472 3.658 20 5 GHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1F ZINC000485182012 856203925 /nfs/dbraw/zinc/20/39/25/856203925.db2.gz VDLJLMXJLKIYRP-UHFFFAOYSA-N -1 3 376.271 3.658 20 5 GHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000026838986 856622750 /nfs/dbraw/zinc/62/27/50/856622750.db2.gz QXVYUIYZONVIRM-KRWDZBQOSA-N -1 3 380.853 3.986 20 5 GHBDHM COc1ccccc1-c1nnc([N-]C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC001129111694 857657403 /nfs/dbraw/zinc/65/74/03/857657403.db2.gz GRGPUWQPAWJHLO-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)ccc1[N+](=O)[O-] ZINC000115150448 858409031 /nfs/dbraw/zinc/40/90/31/858409031.db2.gz IBWBJTUVVGJSJM-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM Cc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc(C)c1OCC(F)(F)F ZINC000596084790 858777910 /nfs/dbraw/zinc/77/79/10/858777910.db2.gz MQPDDUZLGUIURT-UHFFFAOYSA-N -1 3 385.342 3.890 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366574 859058045 /nfs/dbraw/zinc/05/80/45/859058045.db2.gz FHOUHIRBPVGPCH-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366574 859058052 /nfs/dbraw/zinc/05/80/52/859058052.db2.gz FHOUHIRBPVGPCH-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3cc4ccccc4o3)n2)c1 ZINC000555308628 865879706 /nfs/dbraw/zinc/87/97/06/865879706.db2.gz VGAMLRBYJVEPID-UHFFFAOYSA-N -1 3 393.359 3.777 20 5 GHBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000021184235 867219448 /nfs/dbraw/zinc/21/94/48/867219448.db2.gz GLIHXIWZUBUGHW-FQEVSTJZSA-N -1 3 398.440 3.671 20 5 GHBDHM O=C(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444843648 867332734 /nfs/dbraw/zinc/33/27/34/867332734.db2.gz BFQCVPHSAUYBSE-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncc([N+](=O)[O-])s3)cc2)cc1 ZINC000443413210 872276360 /nfs/dbraw/zinc/27/63/60/872276360.db2.gz YRAJWANBLDWVML-UHFFFAOYSA-N -1 3 391.430 3.953 20 5 GHBDHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443995537 877484202 /nfs/dbraw/zinc/48/42/02/877484202.db2.gz WADJHSDWZGYLOJ-NSHDSACASA-N -1 3 394.396 3.937 20 5 GHBDHM CCc1nc(C)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000551630974 877536745 /nfs/dbraw/zinc/53/67/45/877536745.db2.gz MLOWSCOFQGKWNX-UHFFFAOYSA-N -1 3 376.257 3.998 20 5 GHBDHM COc1ccc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000175072268 883235642 /nfs/dbraw/zinc/23/56/42/883235642.db2.gz VJOFOSQGAXVQSO-UHFFFAOYSA-N -1 3 385.254 3.783 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C(C)(C)[C@H]21 ZINC000858840728 883393472 /nfs/dbraw/zinc/39/34/72/883393472.db2.gz CQKDQWAUMKWJFP-UGFHNGPFSA-N -1 3 392.456 3.531 20 5 GHBDHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811832676 890017568 /nfs/dbraw/zinc/01/75/68/890017568.db2.gz VDRXFUDGGHOAMZ-UHFFFAOYSA-N -1 3 382.825 3.888 20 5 GHBDHM CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001185796210 914090113 /nfs/dbraw/zinc/09/01/13/914090113.db2.gz YWFSZTFIOAASLU-UHFFFAOYSA-N -1 3 382.869 3.894 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc2)CC1 ZINC001136363398 897454852 /nfs/dbraw/zinc/45/48/52/897454852.db2.gz XDXJULRFUSUTRN-LJQANCHMSA-N -1 3 383.448 3.503 20 5 GHBDHM CCc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821476134 897915247 /nfs/dbraw/zinc/91/52/47/897915247.db2.gz JHLSFQVBEACKIT-UHFFFAOYSA-N -1 3 394.435 3.640 20 5 GHBDHM CCc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476134 897915252 /nfs/dbraw/zinc/91/52/52/897915252.db2.gz JHLSFQVBEACKIT-UHFFFAOYSA-N -1 3 394.435 3.640 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(OCc2ccccc2)cn1 ZINC000800148601 898666302 /nfs/dbraw/zinc/66/63/02/898666302.db2.gz OPVAJEMHCTZNBK-UHFFFAOYSA-N -1 3 382.351 3.664 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(Br)cc3Cl)no2)cc1[N+](=O)[O-] ZINC001212844446 903697741 /nfs/dbraw/zinc/69/77/41/903697741.db2.gz UMWSCCJWQYNFMY-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000579597826 904728167 /nfs/dbraw/zinc/72/81/67/904728167.db2.gz GGQNZEBYYVSBOU-KRWDZBQOSA-N -1 3 383.448 3.702 20 5 GHBDHM O=C(Oc1cc(Br)ccc1F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000777358459 906751824 /nfs/dbraw/zinc/75/18/24/906751824.db2.gz WSXSREQNEAZADR-UHFFFAOYSA-N -1 3 380.129 3.592 20 5 GHBDHM Cc1ccc2c(=O)c3cccc(CC(=O)NCc4ncccc4[O-])c3oc2c1C ZINC001182512039 911823587 /nfs/dbraw/zinc/82/35/87/911823587.db2.gz STVJGCZHOURBMH-UHFFFAOYSA-N -1 3 388.423 3.523 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001187411211 915230411 /nfs/dbraw/zinc/23/04/11/915230411.db2.gz KFWSWOQQEXZJTL-INIZCTEOSA-N -1 3 398.431 3.727 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000005666693 915665760 /nfs/dbraw/zinc/66/57/60/915665760.db2.gz BNXULFASAVGVTO-OALRPVAKSA-N -1 3 399.428 3.827 20 5 GHBDHM CCCOc1cc(NC([O-])=NO[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCCC ZINC000775467316 918094868 /nfs/dbraw/zinc/09/48/68/918094868.db2.gz DZRHPSDZEPRAKZ-QGZVFWFLSA-N -1 3 397.428 3.752 20 5 GHBDHM CCCOc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCCC ZINC000775467316 918094881 /nfs/dbraw/zinc/09/48/81/918094881.db2.gz DZRHPSDZEPRAKZ-QGZVFWFLSA-N -1 3 397.428 3.752 20 5 GHBDHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000544507726 929242193 /nfs/dbraw/zinc/24/21/93/929242193.db2.gz HWQORDRHKRTMLZ-QMMMGPOBSA-N -1 3 383.173 3.944 20 5 GHBDHM CC(=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783928664 931719885 /nfs/dbraw/zinc/71/98/85/931719885.db2.gz NVEVJTXCFGBTPT-QBFSEMIESA-N -1 3 390.399 3.696 20 5 GHBDHM C[C@H](Cc1c(Cl)cccc1Cl)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575185327 952432140 /nfs/dbraw/zinc/43/21/40/952432140.db2.gz PJWQDDDHIVSHHN-MRVPVSSYSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@H](Cc1c(Cl)cccc1Cl)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575185327 952432144 /nfs/dbraw/zinc/43/21/44/952432144.db2.gz PJWQDDDHIVSHHN-MRVPVSSYSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001599841949 988854206 /nfs/dbraw/zinc/85/42/06/988854206.db2.gz RRRCJUBEAFBPML-CQSZACIVSA-N -1 3 384.432 3.788 20 5 GHBDHM COc1c([O-])ccc(C[NH2+][C@@H](CCC(=O)[O-])CC2CCCCC2)c1[N+](=O)[O-] ZINC001599345082 997990359 /nfs/dbraw/zinc/99/03/59/997990359.db2.gz QDEQQJIBMZBBCA-HNNXBMFYSA-N -1 3 380.441 3.602 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747247 1032541056 /nfs/dbraw/zinc/54/10/56/1032541056.db2.gz ZEDYYTPVZWOZDH-BEFAXECRSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747247 1032541062 /nfs/dbraw/zinc/54/10/62/1032541062.db2.gz ZEDYYTPVZWOZDH-BEFAXECRSA-N -1 3 388.424 3.640 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(F)c1 ZINC000194138966 1020962883 /nfs/dbraw/zinc/96/28/83/1020962883.db2.gz KKRVVSYEPRRQHE-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001228688358 1033045662 /nfs/dbraw/zinc/04/56/62/1033045662.db2.gz IHVKHPWGHDZCBR-GFCCVEGCSA-N -1 3 378.381 3.560 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC(n2cc([N-]c3ncccc3[N+](=O)[O-])cn2)CC1 ZINC000754083621 1022469143 /nfs/dbraw/zinc/46/91/43/1022469143.db2.gz XFZLHCQNKYCJQO-UHFFFAOYSA-N -1 3 388.428 3.502 20 5 GHBDHM O=c1cc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)nc(C2CC2)[n-]1 ZINC001213261289 1028075582 /nfs/dbraw/zinc/07/55/82/1028075582.db2.gz MYRRRMNLVZCDPG-UHFFFAOYSA-N -1 3 382.383 3.873 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H]2CCC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218288591 1030872920 /nfs/dbraw/zinc/87/29/20/1030872920.db2.gz ZHJBUFCWQZNCSE-AWEZNQCLSA-N -1 3 395.455 3.997 20 5 GHBDHM COCc1cc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]c(=S)n1 ZINC001225937395 1031703091 /nfs/dbraw/zinc/70/30/91/1031703091.db2.gz FWMZBKCPLXBUOR-GFCCVEGCSA-N -1 3 375.328 3.502 20 5 GHBDHM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CC[C@H](N4CCOCC4)CC3)ccc12 ZINC001229516358 1033534063 /nfs/dbraw/zinc/53/40/63/1033534063.db2.gz JJZYWXAQPUKQHA-JCNLHEQBSA-N -1 3 395.455 3.674 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1C ZINC001208640600 1034964486 /nfs/dbraw/zinc/96/44/86/1034964486.db2.gz FTEBPYXTLCLSAP-UHFFFAOYSA-N -1 3 388.367 3.709 20 5 GHBDHM COc1cc([O-])c(C)c(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(C)=O ZINC001234790257 1040321707 /nfs/dbraw/zinc/32/17/07/1040321707.db2.gz FVEVVIUWNHNSOJ-LLVKDONJSA-N -1 3 389.360 3.689 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC001462746362 1070519761 /nfs/dbraw/zinc/51/97/61/1070519761.db2.gz IHPPYNMXNAWZJK-LLVKDONJSA-N -1 3 388.467 3.619 20 5 GHBDHM COc1cc(CNc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC001308212967 1049915121 /nfs/dbraw/zinc/91/51/21/1049915121.db2.gz NSPIORLLXZXATM-UHFFFAOYSA-N -1 3 391.811 3.701 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001309440373 1050721441 /nfs/dbraw/zinc/72/14/41/1050721441.db2.gz AIQAEGVCDNSHCD-QGZVFWFLSA-N -1 3 384.404 3.857 20 5 GHBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC001309666013 1050908604 /nfs/dbraw/zinc/90/86/04/1050908604.db2.gz NPKVGGLSBAWVIB-GDNZZTSVSA-N -1 3 394.415 3.964 20 5 GHBDHM Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309714877 1050935653 /nfs/dbraw/zinc/93/56/53/1050935653.db2.gz JNJXLQIQFKYPAH-MRXNPFEDSA-N -1 3 378.425 3.707 20 5 GHBDHM CSc1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001448803356 1060270904 /nfs/dbraw/zinc/27/09/04/1060270904.db2.gz APBGWWIEEDHYSU-UHFFFAOYSA-N -1 3 386.351 3.971 20 5 GHBDHM O=c1[n-]ccc(NCCc2c[nH]c3cccc(Br)c23)c1[N+](=O)[O-] ZINC001458411074 1063788867 /nfs/dbraw/zinc/78/88/67/1063788867.db2.gz AGYWICMBZLWLSN-UHFFFAOYSA-N -1 3 377.198 3.594 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)CC1 ZINC001464396603 1064987530 /nfs/dbraw/zinc/98/75/30/1064987530.db2.gz FUPUJPZDEVENEQ-LJQANCHMSA-N -1 3 383.448 3.503 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001475516818 1074902481 /nfs/dbraw/zinc/90/24/81/1074902481.db2.gz UBJPTERJYBRGBV-NSHDSACASA-N -1 3 396.852 3.613 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])s1 ZINC001475521823 1074903922 /nfs/dbraw/zinc/90/39/22/1074903922.db2.gz ISPRWLXZTNMTTG-QGZVFWFLSA-N -1 3 380.491 3.611 20 5 GHBDHM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000071967325 211065798 /nfs/dbraw/zinc/06/57/98/211065798.db2.gz KURVAJVKFBAOPK-KRWDZBQOSA-N -1 3 391.811 3.939 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1c[nH]c2ccc(Cl)cc12 ZINC000823629582 599066518 /nfs/dbraw/zinc/06/65/18/599066518.db2.gz AOGDMGNOQGEQRW-UHFFFAOYSA-N -1 3 383.799 3.564 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1c[nH]c2ccc(Cl)cc12 ZINC000823629582 599066520 /nfs/dbraw/zinc/06/65/20/599066520.db2.gz AOGDMGNOQGEQRW-UHFFFAOYSA-N -1 3 383.799 3.564 20 5 GHBDHM O=[N+]([O-])c1cccnc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823647448 599112224 /nfs/dbraw/zinc/11/22/24/599112224.db2.gz JYKBBYCMFAZAML-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM O=[N+]([O-])c1cccnc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823647448 599112226 /nfs/dbraw/zinc/11/22/26/599112226.db2.gz JYKBBYCMFAZAML-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000737242658 599158369 /nfs/dbraw/zinc/15/83/69/599158369.db2.gz XXOJRGJFZTZQPJ-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000737242658 599158372 /nfs/dbraw/zinc/15/83/72/599158372.db2.gz XXOJRGJFZTZQPJ-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM Cc1cccc(-c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)c1 ZINC000737381206 599268713 /nfs/dbraw/zinc/26/87/13/599268713.db2.gz WWKRIFXJLZVQFL-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1cccc(-c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)c1 ZINC000737381206 599268714 /nfs/dbraw/zinc/26/87/14/599268714.db2.gz WWKRIFXJLZVQFL-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM CC(C)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820038761 599559390 /nfs/dbraw/zinc/55/93/90/599559390.db2.gz REWUQWUZEKOLAT-CYBMUJFWSA-N -1 3 381.440 3.586 20 5 GHBDHM CC(C)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820038761 599559395 /nfs/dbraw/zinc/55/93/95/599559395.db2.gz REWUQWUZEKOLAT-CYBMUJFWSA-N -1 3 381.440 3.586 20 5 GHBDHM Cc1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822233104 599562597 /nfs/dbraw/zinc/56/25/97/599562597.db2.gz HZVFTGUKHDOQOE-MRXNPFEDSA-N -1 3 391.391 3.566 20 5 GHBDHM Cc1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822233104 599562599 /nfs/dbraw/zinc/56/25/99/599562599.db2.gz HZVFTGUKHDOQOE-MRXNPFEDSA-N -1 3 391.391 3.566 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H](c3ccccc3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643752 606446280 /nfs/dbraw/zinc/44/62/80/606446280.db2.gz AIPADCFTWMOLEF-LJQANCHMSA-N -1 3 387.403 3.886 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H](c3ccccc3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643752 606446281 /nfs/dbraw/zinc/44/62/81/606446281.db2.gz AIPADCFTWMOLEF-LJQANCHMSA-N -1 3 387.403 3.886 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000820925965 606479226 /nfs/dbraw/zinc/47/92/26/606479226.db2.gz NSWLAONGVVDHAF-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000820925965 606479228 /nfs/dbraw/zinc/47/92/28/606479228.db2.gz NSWLAONGVVDHAF-MRXNPFEDSA-N -1 3 375.392 3.886 20 5 GHBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)cc1-c1nnn[n-]1 ZINC000826203765 608123552 /nfs/dbraw/zinc/12/35/52/608123552.db2.gz FMBQORSHNMMACJ-UHFFFAOYSA-N -1 3 398.423 3.573 20 5 GHBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000826203765 608123553 /nfs/dbraw/zinc/12/35/53/608123553.db2.gz FMBQORSHNMMACJ-UHFFFAOYSA-N -1 3 398.423 3.573 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)CC(C)(C)C ZINC000824384329 608162716 /nfs/dbraw/zinc/16/27/16/608162716.db2.gz AJVCQODNOIELOQ-VIFPVBQESA-N -1 3 380.836 3.829 20 5 GHBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)CC(C)(C)C ZINC000824384329 608162717 /nfs/dbraw/zinc/16/27/17/608162717.db2.gz AJVCQODNOIELOQ-VIFPVBQESA-N -1 3 380.836 3.829 20 5 GHBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1Cl ZINC000826282649 608163617 /nfs/dbraw/zinc/16/36/17/608163617.db2.gz YYBTXANLEWICBC-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1Cl ZINC000826282649 608163619 /nfs/dbraw/zinc/16/36/19/608163619.db2.gz YYBTXANLEWICBC-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826272247 608296003 /nfs/dbraw/zinc/29/60/03/608296003.db2.gz ABXKTFPNDJTOBA-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826272247 608296005 /nfs/dbraw/zinc/29/60/05/608296005.db2.gz ABXKTFPNDJTOBA-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000180946704 837725907 /nfs/dbraw/zinc/72/59/07/837725907.db2.gz KOUJVQFNUNNYSM-UHFFFAOYSA-N -1 3 387.446 3.573 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCc2ccc(F)cc2)c(F)c1 ZINC001211588899 834671495 /nfs/dbraw/zinc/67/14/95/834671495.db2.gz AKHWTHOHGCSHJX-UHFFFAOYSA-N -1 3 384.404 3.564 20 5 GHBDHM CSc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000188233746 835497678 /nfs/dbraw/zinc/49/76/78/835497678.db2.gz CJZNGHNXHRBVJW-UHFFFAOYSA-N -1 3 397.250 3.715 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(Cl)ccc1[O-] ZINC000126260731 840851533 /nfs/dbraw/zinc/85/15/33/840851533.db2.gz VFGKRIPYYRWDTK-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM CCCCc1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)[n-]1 ZINC000573544946 844590110 /nfs/dbraw/zinc/59/01/10/844590110.db2.gz UNLFVTMWHZDJDN-LBPRGKRZSA-N -1 3 388.424 3.579 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(N3CCCCC3)c2)s1 ZINC000302141383 861219216 /nfs/dbraw/zinc/21/92/16/861219216.db2.gz FPFUXUJZIRJNPI-UHFFFAOYSA-N -1 3 381.479 3.794 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000469023484 843845724 /nfs/dbraw/zinc/84/57/24/843845724.db2.gz SIGNMWBMFDQDOX-KRWDZBQOSA-N -1 3 389.477 3.565 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000509817653 843854285 /nfs/dbraw/zinc/85/42/85/843854285.db2.gz CHBMNNKYOISKAQ-CYBMUJFWSA-N -1 3 388.367 3.875 20 5 GHBDHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509750426 843893191 /nfs/dbraw/zinc/89/31/91/843893191.db2.gz JAYBOZJOBAUCBP-OAHLLOKOSA-N -1 3 378.450 3.732 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000604025548 861628609 /nfs/dbraw/zinc/62/86/09/861628609.db2.gz NOQKCXXVMRYRNG-CYBMUJFWSA-N -1 3 380.853 3.647 20 5 GHBDHM COc1ccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000551434969 846379520 /nfs/dbraw/zinc/37/95/20/846379520.db2.gz MPMMTUATYZOPGC-OAQYLSRUSA-N -1 3 384.432 3.745 20 5 GHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccccc2)n1 ZINC000426763367 852349084 /nfs/dbraw/zinc/34/90/84/852349084.db2.gz BHPJMPYUUHYNQO-KRWDZBQOSA-N -1 3 383.429 3.504 20 5 GHBDHM CC(C)c1[nH]nc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1[N+](=O)[O-] ZINC000436802707 852361980 /nfs/dbraw/zinc/36/19/80/852361980.db2.gz FCILIPALDFOOQG-UHFFFAOYSA-N -1 3 380.404 3.990 20 5 GHBDHM Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000151513125 857463487 /nfs/dbraw/zinc/46/34/87/857463487.db2.gz JMXWOUCRAXITJQ-UHFFFAOYSA-N -1 3 380.198 3.693 20 5 GHBDHM CSc1cccc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1[N+](=O)[O-] ZINC000486482013 857780656 /nfs/dbraw/zinc/78/06/56/857780656.db2.gz XFRJFMJOXUUXBZ-UHFFFAOYSA-N -1 3 382.445 3.998 20 5 GHBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000594775912 858278209 /nfs/dbraw/zinc/27/82/09/858278209.db2.gz LLINEDBRZULLMQ-GFCCVEGCSA-N -1 3 399.419 3.637 20 5 GHBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000596241446 858826114 /nfs/dbraw/zinc/82/61/14/858826114.db2.gz TZCOLJAEQWTOSC-HZMBPMFUSA-N -1 3 383.326 3.681 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2cccc(F)c2o1 ZINC000474396363 859993608 /nfs/dbraw/zinc/99/36/08/859993608.db2.gz YPTHGLBNFKZCET-SECBINFHSA-N -1 3 382.344 3.659 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc([N+](=O)[O-])c(F)c3)nc(=O)c2c1C ZINC000728154821 860405060 /nfs/dbraw/zinc/40/50/60/860405060.db2.gz SRCQQFSPZNRPKO-QMMMGPOBSA-N -1 3 391.380 3.979 20 5 GHBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1[O-] ZINC000603626543 860928183 /nfs/dbraw/zinc/92/81/83/860928183.db2.gz MWGSCXZXTJDHNA-UHFFFAOYSA-N -1 3 380.198 3.504 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CCCCCCC2)c1 ZINC000741754969 866776478 /nfs/dbraw/zinc/77/64/78/866776478.db2.gz CCJAFYIGJNBIRD-UHFFFAOYSA-N -1 3 391.287 3.749 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000523164498 866816731 /nfs/dbraw/zinc/81/67/31/866816731.db2.gz QDWSITYNYQJSKC-VXGBXAGGSA-N -1 3 382.342 3.714 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447272820 871260985 /nfs/dbraw/zinc/26/09/85/871260985.db2.gz FOHMSSLRDJFPNB-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770316168 874593730 /nfs/dbraw/zinc/59/37/30/874593730.db2.gz CKHLFOJDSGIBAG-UHFFFAOYSA-N -1 3 376.113 3.844 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cc(F)cc2I)c1 ZINC001201222434 875585747 /nfs/dbraw/zinc/58/57/47/875585747.db2.gz LCYNXFDKFUKHJZ-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000610042394 877324728 /nfs/dbraw/zinc/32/47/28/877324728.db2.gz TYBKGHMTRHDXAL-UHFFFAOYSA-N -1 3 392.415 3.570 20 5 GHBDHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001183251011 912387242 /nfs/dbraw/zinc/38/72/42/912387242.db2.gz NCNMOQUNWLZQKA-UHFFFAOYSA-N -1 3 394.174 3.645 20 5 GHBDHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853448689 879025166 /nfs/dbraw/zinc/02/51/66/879025166.db2.gz PXHPQPSRQWBQHL-LBPRGKRZSA-N -1 3 388.424 3.893 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(F)cc1C ZINC000791318337 880327115 /nfs/dbraw/zinc/32/71/15/880327115.db2.gz SFSDPZJNKNNUQE-UHFFFAOYSA-N -1 3 382.294 3.750 20 5 GHBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000760487329 884157468 /nfs/dbraw/zinc/15/74/68/884157468.db2.gz OXCIQONJKBOSBZ-UHFFFAOYSA-N -1 3 380.316 3.590 20 5 GHBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000760487329 884157479 /nfs/dbraw/zinc/15/74/79/884157479.db2.gz OXCIQONJKBOSBZ-UHFFFAOYSA-N -1 3 380.316 3.590 20 5 GHBDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000532614449 886496228 /nfs/dbraw/zinc/49/62/28/886496228.db2.gz KTUXGMOACFWAIP-VIFPVBQESA-N -1 3 394.396 3.585 20 5 GHBDHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000916108668 888720176 /nfs/dbraw/zinc/72/01/76/888720176.db2.gz LSBWKZRNEVPXSM-UHFFFAOYSA-N -1 3 377.466 3.939 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC001211979423 889211377 /nfs/dbraw/zinc/21/13/77/889211377.db2.gz YUDGGTAHENBZOL-SECBINFHSA-N -1 3 390.795 3.874 20 5 GHBDHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000811394530 889536034 /nfs/dbraw/zinc/53/60/34/889536034.db2.gz UIUXPTGBNQPRRP-MRVPVSSYSA-N -1 3 393.808 3.975 20 5 GHBDHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000811394808 889536489 /nfs/dbraw/zinc/53/64/89/889536489.db2.gz JEXUXCLPXPCDBS-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1C(F)(F)F ZINC000811824772 890040385 /nfs/dbraw/zinc/04/03/85/890040385.db2.gz SKEQYIMWYXZRFT-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM COC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1[O-] ZINC000813501244 891721272 /nfs/dbraw/zinc/72/12/72/891721272.db2.gz URVLNFBRMBOAHQ-UHFFFAOYSA-N -1 3 385.159 3.646 20 5 GHBDHM COc1cccc(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)c1[N+](=O)[O-] ZINC000194671016 893858794 /nfs/dbraw/zinc/85/87/94/893858794.db2.gz RADRVBWTDXZBRI-UHFFFAOYSA-N -1 3 384.417 3.763 20 5 GHBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000934905663 894030166 /nfs/dbraw/zinc/03/01/66/894030166.db2.gz UZDIHTDGUJDYKG-UHFFFAOYSA-N -1 3 378.357 3.525 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000800151915 898670874 /nfs/dbraw/zinc/67/08/74/898670874.db2.gz SGXVJGUFAOXZFZ-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000047903304 902602138 /nfs/dbraw/zinc/60/21/38/902602138.db2.gz LLMRIENCRJBKSZ-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1coc(C2CCCCC2)n1 ZINC000577868939 903290077 /nfs/dbraw/zinc/29/00/77/903290077.db2.gz KBIBPKJNQVJHCI-UHFFFAOYSA-N -1 3 382.380 3.668 20 5 GHBDHM Cc1cc(Br)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1F ZINC001212844001 903684001 /nfs/dbraw/zinc/68/40/01/903684001.db2.gz IEPVEWSVVZOFEN-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1[N+](=O)[O-] ZINC001212844531 903732322 /nfs/dbraw/zinc/73/23/22/903732322.db2.gz YUGTYVHJJOCJGC-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM CN(Cc1ccccc1)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000779608060 907863952 /nfs/dbraw/zinc/86/39/52/907863952.db2.gz DOSQAIOELNQIBW-UHFFFAOYSA-N -1 3 378.388 3.584 20 5 GHBDHM O=C(Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001178317440 909013933 /nfs/dbraw/zinc/01/39/33/909013933.db2.gz UNMKOIVPEUGMBF-UHFFFAOYSA-N -1 3 394.174 3.645 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000269002623 910098007 /nfs/dbraw/zinc/09/80/07/910098007.db2.gz LVIKDDHMWGQXIM-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM O=c1ccnc([C@H]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)CC2)[n-]1 ZINC001187871746 915597779 /nfs/dbraw/zinc/59/77/79/915597779.db2.gz PGOUZVPRQWBWKE-XYPYZODXSA-N -1 3 393.241 3.991 20 5 GHBDHM Cc1cc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1F ZINC001188353015 915925146 /nfs/dbraw/zinc/92/51/46/915925146.db2.gz FUAPPOGQIVVFCD-KRWDZBQOSA-N -1 3 382.388 3.611 20 5 GHBDHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001191044044 917748383 /nfs/dbraw/zinc/74/83/83/917748383.db2.gz FAOPBORILRSZLB-QMTHXVAHSA-N -1 3 380.388 3.861 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000119908399 919667060 /nfs/dbraw/zinc/66/70/60/919667060.db2.gz IBJPCVSQOHELST-GFCCVEGCSA-N -1 3 389.458 3.758 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000800929803 920614653 /nfs/dbraw/zinc/61/46/53/920614653.db2.gz ZUHNBVJYFXXCSN-UHFFFAOYSA-N -1 3 379.196 3.983 20 5 GHBDHM Cc1ccccc1-c1cc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH][n-]1 ZINC000546549196 930257145 /nfs/dbraw/zinc/25/71/45/930257145.db2.gz DFUIDKPQAIUFMQ-UHFFFAOYSA-N -1 3 382.395 3.771 20 5 GHBDHM COc1cc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000799348844 932961213 /nfs/dbraw/zinc/96/12/13/932961213.db2.gz RZGCAXGVKJGAOE-IEBWSBKVSA-N -1 3 388.420 3.603 20 5 GHBDHM Cc1ccc([N-]c2ncc(I)nc2Cl)c([N+](=O)[O-])c1 ZINC001214167579 1028577486 /nfs/dbraw/zinc/57/74/86/1028577486.db2.gz NVCZISHZDAWNEZ-UHFFFAOYSA-N -1 3 390.568 3.695 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000903907348 981032615 /nfs/dbraw/zinc/03/26/15/981032615.db2.gz VNXITIUIHZYJAO-LALPHHSUSA-N -1 3 397.269 3.823 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598507876 992530661 /nfs/dbraw/zinc/53/06/61/992530661.db2.gz WBXIRBONQLMVON-IEBWSBKVSA-N -1 3 388.395 3.784 20 5 GHBDHM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCN(C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701292 1032522430 /nfs/dbraw/zinc/52/24/30/1032522430.db2.gz DORGFCVKFOHRKR-KRWDZBQOSA-N -1 3 384.432 3.701 20 5 GHBDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740934 1032538410 /nfs/dbraw/zinc/53/84/10/1032538410.db2.gz DFAJLNPVGUHILQ-LRDDRELGSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740934 1032538415 /nfs/dbraw/zinc/53/84/15/1032538415.db2.gz DFAJLNPVGUHILQ-LRDDRELGSA-N -1 3 390.440 3.886 20 5 GHBDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155816192 1032722601 /nfs/dbraw/zinc/72/26/01/1032722601.db2.gz SIADRNVIUPGMSR-UHFFFAOYSA-N -1 3 391.358 3.667 20 5 GHBDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001228135086 1032802023 /nfs/dbraw/zinc/80/20/23/1032802023.db2.gz UVLIHCMGFDXYTR-HNNXBMFYSA-N -1 3 385.420 3.508 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000755690180 1023337304 /nfs/dbraw/zinc/33/73/04/1023337304.db2.gz FGHSNODFSWKDDT-LBPRGKRZSA-N -1 3 397.362 3.914 20 5 GHBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000837735063 1024670091 /nfs/dbraw/zinc/67/00/91/1024670091.db2.gz AKCIHWHAFUODDN-UHFFFAOYSA-N -1 3 384.175 3.632 20 5 GHBDHM O=C1c2ccccc2[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])N1Cc1ccccc1 ZINC001163722069 1026295021 /nfs/dbraw/zinc/29/50/21/1026295021.db2.gz SDNAGJUJWNTKGK-SFHVURJKSA-N -1 3 390.399 3.505 20 5 GHBDHM CCOC(=O)c1cc(Nc2c([O-])cccc2Br)cc([N+](=O)[O-])c1 ZINC001211374646 1027928375 /nfs/dbraw/zinc/92/83/75/1027928375.db2.gz VYZFBINCLFCNFV-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001213486357 1028218460 /nfs/dbraw/zinc/21/84/60/1028218460.db2.gz ITZFZUDFDROJOA-MWLCHTKSSA-N -1 3 398.790 3.732 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H](C)C2C[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218198372 1030819766 /nfs/dbraw/zinc/81/97/66/1030819766.db2.gz ITZKPYGKZROUSU-CYBMUJFWSA-N -1 3 395.455 3.853 20 5 GHBDHM COc1ccc([N-]C(=O)c2nc(Br)sc2Cl)cc1[N+](=O)[O-] ZINC001152078407 1031098356 /nfs/dbraw/zinc/09/83/56/1031098356.db2.gz BQKUXPSJJYYWAW-UHFFFAOYSA-N -1 3 392.618 3.728 20 5 GHBDHM Cc1nc([N-]c2ccccc2[N+](=O)[O-])c(Br)nc1Br ZINC001206144542 1033740716 /nfs/dbraw/zinc/74/07/16/1033740716.db2.gz NBULJCMUZFUJMW-UHFFFAOYSA-N -1 3 388.019 3.962 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(OC4CC=CC4)c(OC)c3oc-2c1 ZINC001234757953 1040287457 /nfs/dbraw/zinc/28/74/57/1040287457.db2.gz OBTPNMJCJWCMLB-UHFFFAOYSA-N -1 3 384.384 3.775 20 5 GHBDHM COc1cc([O-])c2c(=O)c3cc(OC)c(OC4CC=CC4)c(OC)c3oc2c1 ZINC001234757953 1040287469 /nfs/dbraw/zinc/28/74/69/1040287469.db2.gz OBTPNMJCJWCMLB-UHFFFAOYSA-N -1 3 384.384 3.775 20 5 GHBDHM C[C@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001462608964 1070411368 /nfs/dbraw/zinc/41/13/68/1070411368.db2.gz KQNDWGVISRPPAG-LURJTMIESA-N -1 3 383.252 3.601 20 5 GHBDHM O=[N+]([O-])c1cc2c(nc1NCc1ccc([O-])c(Br)c1)CCCC2 ZINC001307001640 1048999333 /nfs/dbraw/zinc/99/93/33/1048999333.db2.gz ZXYQZOZPOFPGER-UHFFFAOYSA-N -1 3 378.226 3.949 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c(Cl)c1 ZINC001464180208 1064891417 /nfs/dbraw/zinc/89/14/17/1064891417.db2.gz OYCIQOPDZTWJMN-AWEZNQCLSA-N -1 3 387.244 3.867 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001475155108 1074761138 /nfs/dbraw/zinc/76/11/38/1074761138.db2.gz QCEINCXBERZIJR-LBPRGKRZSA-N -1 3 390.248 3.726 20 5 GHBDHM COc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737141188 599255022 /nfs/dbraw/zinc/25/50/22/599255022.db2.gz HVFJHNLUPCWJDR-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM COc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737141188 599255025 /nfs/dbraw/zinc/25/50/25/599255025.db2.gz HVFJHNLUPCWJDR-LLVKDONJSA-N -1 3 391.391 3.505 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCc3c(ccc(Cl)c3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738369621 598299829 /nfs/dbraw/zinc/29/98/29/598299829.db2.gz KMIWDBHHKCWLML-UHFFFAOYSA-N -1 3 391.218 3.644 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCc3c(ccc(Cl)c3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000738369621 598299830 /nfs/dbraw/zinc/29/98/30/598299830.db2.gz KMIWDBHHKCWLML-UHFFFAOYSA-N -1 3 391.218 3.644 20 5 GHBDHM Cc1c(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000737217912 598426486 /nfs/dbraw/zinc/42/64/86/598426486.db2.gz GOSZHKMIHOYISQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM Cc1c(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000737217912 598426487 /nfs/dbraw/zinc/42/64/87/598426487.db2.gz GOSZHKMIHOYISQ-UHFFFAOYSA-N -1 3 395.423 3.526 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccccc1OCC(F)(F)F ZINC000738359528 598506996 /nfs/dbraw/zinc/50/69/96/598506996.db2.gz SQWWNEWWCYBCKS-UHFFFAOYSA-N -1 3 381.270 3.508 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccccc1OCC(F)(F)F ZINC000738359528 598506998 /nfs/dbraw/zinc/50/69/98/598506998.db2.gz SQWWNEWWCYBCKS-UHFFFAOYSA-N -1 3 381.270 3.508 20 5 GHBDHM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576761826 601646438 /nfs/dbraw/zinc/64/64/38/601646438.db2.gz YWDJUQLANDWLDH-UHFFFAOYSA-N -1 3 376.434 3.706 20 5 GHBDHM CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694437 604644890 /nfs/dbraw/zinc/64/48/90/604644890.db2.gz QYVSFABBSRRUKS-OAHLLOKOSA-N -1 3 379.210 3.615 20 5 GHBDHM CC(C)(C)SCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824124175 608162299 /nfs/dbraw/zinc/16/22/99/608162299.db2.gz OUPFLFDHWXNZPT-UHFFFAOYSA-N -1 3 398.876 3.679 20 5 GHBDHM CC(C)(C)SCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824124175 608162301 /nfs/dbraw/zinc/16/23/01/608162301.db2.gz OUPFLFDHWXNZPT-UHFFFAOYSA-N -1 3 398.876 3.679 20 5 GHBDHM Cc1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826296913 608230659 /nfs/dbraw/zinc/23/06/59/608230659.db2.gz OHGJATQWAWJTSX-IBGZPJMESA-N -1 3 387.403 3.680 20 5 GHBDHM Cc1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826296913 608230661 /nfs/dbraw/zinc/23/06/61/608230661.db2.gz OHGJATQWAWJTSX-IBGZPJMESA-N -1 3 387.403 3.680 20 5 GHBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000825480693 609177734 /nfs/dbraw/zinc/17/77/34/609177734.db2.gz GTIUNYPKUGLIRO-UHFFFAOYSA-N -1 3 397.439 3.606 20 5 GHBDHM Cc1sc2nc(C)nc(Sc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c2c1C ZINC000826327602 609549671 /nfs/dbraw/zinc/54/96/71/609549671.db2.gz NKACUHRHCRJXPY-UHFFFAOYSA-N -1 3 399.461 3.856 20 5 GHBDHM Cc1sc2nc(C)nc(Sc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c2c1C ZINC000826327602 609549674 /nfs/dbraw/zinc/54/96/74/609549674.db2.gz NKACUHRHCRJXPY-UHFFFAOYSA-N -1 3 399.461 3.856 20 5 GHBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869237 609597634 /nfs/dbraw/zinc/59/76/34/609597634.db2.gz ZJAXPKPTPHGGME-MWLCHTKSSA-N -1 3 392.847 3.829 20 5 GHBDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC(C)(C)C1 ZINC000824869237 609597636 /nfs/dbraw/zinc/59/76/36/609597636.db2.gz ZJAXPKPTPHGGME-MWLCHTKSSA-N -1 3 392.847 3.829 20 5 GHBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414385938 837565898 /nfs/dbraw/zinc/56/58/98/837565898.db2.gz SBMZAWLIKBOMBG-MAUKXSAKSA-N -1 3 375.450 3.713 20 5 GHBDHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000584247093 835807428 /nfs/dbraw/zinc/80/74/28/835807428.db2.gz XGTLHMWBVHZHFX-UHFFFAOYSA-N -1 3 398.213 3.913 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000104761133 839006391 /nfs/dbraw/zinc/00/63/91/839006391.db2.gz COECWWDVCWRDNA-LBPRGKRZSA-N -1 3 389.886 3.751 20 5 GHBDHM Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s2)cc1C ZINC000603903830 861359220 /nfs/dbraw/zinc/35/92/20/861359220.db2.gz ARWHUVMNGWICCM-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM CC(C)(C)OCc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000539166155 845912617 /nfs/dbraw/zinc/91/26/17/845912617.db2.gz CLYNHSJHKFWIOR-UHFFFAOYSA-N -1 3 394.431 3.974 20 5 GHBDHM COC(=O)c1ccc(OCc2ccccc2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000478622804 847173584 /nfs/dbraw/zinc/17/35/84/847173584.db2.gz NNLYQYXSUPJASB-UHFFFAOYSA-N -1 3 396.355 3.806 20 5 GHBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000478769578 847254620 /nfs/dbraw/zinc/25/46/20/847254620.db2.gz JJZUSIDBLGJGLO-UHFFFAOYSA-N -1 3 390.889 3.514 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)cc2c(=O)[n-]1 ZINC000504488762 850096060 /nfs/dbraw/zinc/09/60/60/850096060.db2.gz NXIKQBDGYYJOCF-UHFFFAOYSA-N -1 3 378.157 3.708 20 5 GHBDHM COc1cc(CNCc2ccnc(Oc3ccccc3F)c2)c([N+](=O)[O-])cc1[O-] ZINC000486798086 850107314 /nfs/dbraw/zinc/10/73/14/850107314.db2.gz GDSKCLULRQFBCC-UHFFFAOYSA-N -1 3 399.378 3.925 20 5 GHBDHM COc1cc(CNCc2ccc(Br)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000732230984 862161472 /nfs/dbraw/zinc/16/14/72/862161472.db2.gz BLDMQCJKYPBSIY-UHFFFAOYSA-N -1 3 385.189 3.500 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c(Cl)c1 ZINC000604459955 862234512 /nfs/dbraw/zinc/23/45/12/862234512.db2.gz QQFFOAREIAHOKX-UHFFFAOYSA-N -1 3 376.821 3.880 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000515758021 851441096 /nfs/dbraw/zinc/44/10/96/851441096.db2.gz VHMAJFGRNOZFTO-UHFFFAOYSA-N -1 3 375.233 3.689 20 5 GHBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)c1 ZINC000150716775 852239000 /nfs/dbraw/zinc/23/90/00/852239000.db2.gz ACUGFYWUIQKNNM-UHFFFAOYSA-N -1 3 384.417 3.763 20 5 GHBDHM O=C([O-])C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000426829847 852416142 /nfs/dbraw/zinc/41/61/42/852416142.db2.gz SESXNHFVYPNYGQ-HNNXBMFYSA-N -1 3 379.210 3.663 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426808717 852418439 /nfs/dbraw/zinc/41/84/39/852418439.db2.gz NRIOZRMGVHPIAY-INIZCTEOSA-N -1 3 393.237 3.971 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000044771874 853834226 /nfs/dbraw/zinc/83/42/26/853834226.db2.gz CTPFFKPTRZTAEA-UHFFFAOYSA-N -1 3 386.779 3.648 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC000056013755 854291234 /nfs/dbraw/zinc/29/12/34/854291234.db2.gz QKRKWTHKYRWWNW-UHFFFAOYSA-N -1 3 386.779 3.648 20 5 GHBDHM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000509615127 855514980 /nfs/dbraw/zinc/51/49/80/855514980.db2.gz CTADARJQXIXMNP-OAHLLOKOSA-N -1 3 382.413 3.562 20 5 GHBDHM Cc1cc(C)cc(C2(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)CC2)c1 ZINC000520569257 855675919 /nfs/dbraw/zinc/67/59/19/855675919.db2.gz BIBLVNUOWJFFSU-UHFFFAOYSA-N -1 3 376.416 3.694 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000427905439 856861975 /nfs/dbraw/zinc/86/19/75/856861975.db2.gz FKINTIXZMYOVPJ-KRWDZBQOSA-N -1 3 389.477 3.565 20 5 GHBDHM C[C@@H](CCc1cccc(F)c1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439146433 858535715 /nfs/dbraw/zinc/53/57/15/858535715.db2.gz IATGGJMBLOIMNU-ZDUSSCGKSA-N -1 3 382.395 3.753 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1[N+](=O)[O-] ZINC000596143733 858791146 /nfs/dbraw/zinc/79/11/46/858791146.db2.gz HDDPNALWFMBQJV-UHFFFAOYSA-N -1 3 383.433 3.598 20 5 GHBDHM COc1cc(CNc2cccc(-c3ccc4c(c3)CCO4)n2)c([N+](=O)[O-])cc1[O-] ZINC000466636373 858843213 /nfs/dbraw/zinc/84/32/13/858843213.db2.gz SYQDTWMIYGRFJP-UHFFFAOYSA-N -1 3 393.399 3.918 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc(-c2ccccc2)s1 ZINC000522351819 859141255 /nfs/dbraw/zinc/14/12/55/859141255.db2.gz CHVQRUPRYVDQTQ-UHFFFAOYSA-N -1 3 391.412 3.783 20 5 GHBDHM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000129674738 860506839 /nfs/dbraw/zinc/50/68/39/860506839.db2.gz DCPKLBNRPYNLJK-UHFFFAOYSA-N -1 3 387.289 3.899 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598733400 860535073 /nfs/dbraw/zinc/53/50/73/860535073.db2.gz CKVZZKCSMZBFGA-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1c[nH]c2cc(Cl)ccc12 ZINC000608890652 865818787 /nfs/dbraw/zinc/81/87/87/865818787.db2.gz JODAWPMEVPAGQK-UHFFFAOYSA-N -1 3 381.779 3.794 20 5 GHBDHM Cc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl ZINC000183388563 866680629 /nfs/dbraw/zinc/68/06/29/866680629.db2.gz VCSBMRFKWRALBG-UHFFFAOYSA-N -1 3 376.221 3.547 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000534563061 867010837 /nfs/dbraw/zinc/01/08/37/867010837.db2.gz DWAAXHNCEMZCNM-UHFFFAOYSA-N -1 3 399.266 3.571 20 5 GHBDHM COc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1C1CC1 ZINC000444826687 867275045 /nfs/dbraw/zinc/27/50/45/867275045.db2.gz OHWVTZSZZDBNNZ-UHFFFAOYSA-N -1 3 378.388 3.545 20 5 GHBDHM Cc1cccc(COc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)c1 ZINC000445193184 867933142 /nfs/dbraw/zinc/93/31/42/867933142.db2.gz SMQOLPRJAUSISQ-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447130797 871085920 /nfs/dbraw/zinc/08/59/20/871085920.db2.gz XRRBVDYEOGSFKG-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2F)c([N+](=O)[O-])s1 ZINC001193679740 871231666 /nfs/dbraw/zinc/23/16/66/871231666.db2.gz VUHGTWMABAKACW-UHFFFAOYSA-N -1 3 399.252 3.889 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2nc(Cl)ncc2NCc2ncccc2[O-])cc1 ZINC001169731821 871827495 /nfs/dbraw/zinc/82/74/95/871827495.db2.gz QVBAUQBORBBYHJ-UHFFFAOYSA-N -1 3 389.824 3.902 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Cl)cc2I)c1 ZINC001199802673 875194719 /nfs/dbraw/zinc/19/47/19/875194719.db2.gz WRZYCZMJGXCCHW-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000771598216 875338621 /nfs/dbraw/zinc/33/86/21/875338621.db2.gz VHOBQRYJGJKPML-UHFFFAOYSA-N -1 3 394.174 3.645 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(I)c(F)c2F)c1 ZINC001201229452 875565662 /nfs/dbraw/zinc/56/56/62/875565662.db2.gz NSANXHSUAVBHSZ-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM CCOC(=O)C1CCN(c2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229778 875566342 /nfs/dbraw/zinc/56/63/42/875566342.db2.gz SFIAFKAQNSKPFC-UHFFFAOYSA-N -1 3 385.420 3.824 20 5 GHBDHM COC(=O)c1cc(Br)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC001201231876 875566387 /nfs/dbraw/zinc/56/63/87/875566387.db2.gz MIBXCSRCBDDJLW-UHFFFAOYSA-N -1 3 397.181 3.602 20 5 GHBDHM COC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)cc1OC ZINC001201223573 875587000 /nfs/dbraw/zinc/58/70/00/875587000.db2.gz BCIQRCZKUDHFBE-UHFFFAOYSA-N -1 3 397.181 3.602 20 5 GHBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2sccc2c([O-])c1 ZINC000786130716 876496896 /nfs/dbraw/zinc/49/68/96/876496896.db2.gz GDZWAYSYFAQDGT-UHFFFAOYSA-N -1 3 387.369 3.739 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@H](F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000450600722 876648298 /nfs/dbraw/zinc/64/82/98/876648298.db2.gz OFNXUCWSWGRLKH-CQSZACIVSA-N -1 3 393.440 3.561 20 5 GHBDHM Cc1ccccc1C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC001212275141 878196923 /nfs/dbraw/zinc/19/69/23/878196923.db2.gz VSACFURRBZBXAU-UHFFFAOYSA-N -1 3 384.816 3.663 20 5 GHBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(Br)ccc1[O-] ZINC000531254259 879441213 /nfs/dbraw/zinc/44/12/13/879441213.db2.gz ZLEKOSDRTMXVHC-UHFFFAOYSA-N -1 3 390.193 3.656 20 5 GHBDHM CCc1c([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)onc1C(F)(F)F ZINC000807271382 885335879 /nfs/dbraw/zinc/33/58/79/885335879.db2.gz VDWIRZZPUPOLMT-UHFFFAOYSA-N -1 3 379.241 3.895 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1c(C)noc1C ZINC000119342665 886929661 /nfs/dbraw/zinc/92/96/61/886929661.db2.gz MSPFWICZBIQSSU-LBPRGKRZSA-N -1 3 387.845 3.591 20 5 GHBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829455 887882499 /nfs/dbraw/zinc/88/24/99/887882499.db2.gz GZOOQTHVOPGYDZ-SECBINFHSA-N -1 3 390.248 3.645 20 5 GHBDHM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000916964900 890683732 /nfs/dbraw/zinc/68/37/32/890683732.db2.gz NVXIWDZSIQRSMX-UHFFFAOYSA-N -1 3 396.403 3.699 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc(=O)c2c1C ZINC000004486047 913685229 /nfs/dbraw/zinc/68/52/29/913685229.db2.gz QKUXORYAIACISQ-SNVBAGLBSA-N -1 3 387.417 3.736 20 5 GHBDHM CC1CCN([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000566621386 896428395 /nfs/dbraw/zinc/42/83/95/896428395.db2.gz DPFPWCRHKHVLJX-OAHLLOKOSA-N -1 3 390.465 3.635 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc([N+](=O)[O-])c1F ZINC000131985252 897624330 /nfs/dbraw/zinc/62/43/30/897624330.db2.gz VBSPAISMFFJBBI-UHFFFAOYSA-N -1 3 386.376 3.769 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000800147897 898664747 /nfs/dbraw/zinc/66/47/47/898664747.db2.gz USERFOSQOAALQS-SNVBAGLBSA-N -1 3 382.816 3.660 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000156545778 899844215 /nfs/dbraw/zinc/84/42/15/899844215.db2.gz NNJKYCOHNIYLCI-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM O=C([O-])/C=C/c1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000846236535 902810236 /nfs/dbraw/zinc/81/02/36/902810236.db2.gz MFGOHQBPDRYDAO-LFYBBSHMSA-N -1 3 382.416 3.736 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(F)cc3Cl)no2)[n-]nc1C(F)(F)F ZINC001212972181 916162546 /nfs/dbraw/zinc/16/25/46/916162546.db2.gz FQCZJGDIHAKGRG-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001189777460 916913926 /nfs/dbraw/zinc/91/39/26/916913926.db2.gz MFJJHFYIEUENNI-UHFFFAOYSA-N -1 3 380.853 3.647 20 5 GHBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000800928745 920612929 /nfs/dbraw/zinc/61/29/29/920612929.db2.gz TTWMSEQYAPXKFW-UHFFFAOYSA-N -1 3 382.266 3.693 20 5 GHBDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000011078017 924566817 /nfs/dbraw/zinc/56/68/17/924566817.db2.gz JUGGNQOWEZRXOD-VIFPVBQESA-N -1 3 398.293 3.503 20 5 GHBDHM O=C([N-][C@@H](c1ccccc1)c1ccccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777894939 934013696 /nfs/dbraw/zinc/01/36/96/934013696.db2.gz PWLSYURVFUECDJ-SFHVURJKSA-N -1 3 383.354 3.987 20 5 GHBDHM CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC001625778029 1014150565 /nfs/dbraw/zinc/15/05/65/1014150565.db2.gz IQNCIDSWXDKXAQ-LJQANCHMSA-N -1 3 385.464 3.532 20 5 GHBDHM CCN(Cc1c[nH]c2ccccc12)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596362708 983841346 /nfs/dbraw/zinc/84/13/46/983841346.db2.gz JVJSUWLGKOOIIV-UHFFFAOYSA-N -1 3 383.404 3.562 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228684927 1033042393 /nfs/dbraw/zinc/04/23/93/1033042393.db2.gz BRVBKISPGCKZKE-LIRRHRJNSA-N -1 3 393.440 3.562 20 5 GHBDHM O=c1cc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)nc(C2CCC2)[n-]1 ZINC001163831333 1026331258 /nfs/dbraw/zinc/33/12/58/1026331258.db2.gz OPADYHMYJHCHDS-UHFFFAOYSA-N -1 3 386.799 3.567 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC001210312145 1027443785 /nfs/dbraw/zinc/44/37/85/1027443785.db2.gz VAGRBDWGIYVUSH-OLZOCXBDSA-N -1 3 392.399 3.861 20 5 GHBDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153869264 1031782437 /nfs/dbraw/zinc/78/24/37/1031782437.db2.gz NKIWBUPSTXPPFS-UHFFFAOYSA-N -1 3 391.358 3.667 20 5 GHBDHM O=c1oc2cc(O[C@H]3CC[C@H](N4CCOCC4)CC3)ccc2c2ccc([O-])cc12 ZINC001229797451 1033722742 /nfs/dbraw/zinc/72/27/42/1033722742.db2.gz BUDDERBHJCDEPW-JCNLHEQBSA-N -1 3 395.455 3.674 20 5 GHBDHM CCOC(=O)c1ccc(OC(=C([O-])c2ccco2)c2ccco2)cc1[N+](=O)[O-] ZINC001230912986 1034283746 /nfs/dbraw/zinc/28/37/46/1034283746.db2.gz OIHINSSAYIFCGD-GOSISDBHSA-N -1 3 385.328 3.961 20 5 GHBDHM COc1cccc2c1nc(=O)[n-]c2O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001231347227 1034530418 /nfs/dbraw/zinc/53/04/18/1034530418.db2.gz HMVMOBMRPXXRKW-CQSZACIVSA-N -1 3 395.293 3.935 20 5 GHBDHM CCOC(=O)[C@H](C)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233497033 1039390805 /nfs/dbraw/zinc/39/08/05/1039390805.db2.gz DLXONGBDOCVOTD-KBUNVGBDSA-N -1 3 395.721 3.633 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(O[C@@H]4C[C@H]5C[C@H]5C4)c(OC)c3oc-2c1 ZINC001234756304 1040286086 /nfs/dbraw/zinc/28/60/86/1040286086.db2.gz BBUXMGDHAVPNKN-PTEHBNRSSA-N -1 3 398.411 3.855 20 5 GHBDHM COc1cc([O-])c2c(c1)oc1c(cc(OC)c(O[C@@H]3C[C@H]4C[C@H]4C3)c1OC)c2=O ZINC001234756304 1040286096 /nfs/dbraw/zinc/28/60/96/1040286096.db2.gz BBUXMGDHAVPNKN-PTEHBNRSSA-N -1 3 398.411 3.855 20 5 GHBDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293156 1043959221 /nfs/dbraw/zinc/95/92/21/1043959221.db2.gz ABONNKHKHKHLIW-UWVGGRQHSA-N -1 3 390.197 3.710 20 5 GHBDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001257293156 1043959232 /nfs/dbraw/zinc/95/92/32/1043959232.db2.gz ABONNKHKHKHLIW-UWVGGRQHSA-N -1 3 390.197 3.710 20 5 GHBDHM CCOc1nnc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)[n-]1 ZINC001302690260 1047044083 /nfs/dbraw/zinc/04/40/83/1047044083.db2.gz GQBZLGHOSYXKBH-UHFFFAOYSA-N -1 3 399.432 3.824 20 5 GHBDHM CCOc1nc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[n-]1 ZINC001302690260 1047044090 /nfs/dbraw/zinc/04/40/90/1047044090.db2.gz GQBZLGHOSYXKBH-UHFFFAOYSA-N -1 3 399.432 3.824 20 5 GHBDHM CCOc1n[n-]c(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC001302690260 1047044102 /nfs/dbraw/zinc/04/41/02/1047044102.db2.gz GQBZLGHOSYXKBH-UHFFFAOYSA-N -1 3 399.432 3.824 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC001309348081 1050620178 /nfs/dbraw/zinc/62/01/78/1050620178.db2.gz ASMBJAPHCXNALR-OAHLLOKOSA-N -1 3 394.399 3.787 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)cc1[N+](=O)[O-] ZINC001463652754 1064528406 /nfs/dbraw/zinc/52/84/06/1064528406.db2.gz UHBPTSJTLHJZKC-HIFRSBDPSA-N -1 3 396.415 3.796 20 5 GHBDHM CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC001463793840 1064624217 /nfs/dbraw/zinc/62/42/17/1064624217.db2.gz FUOBIKXZMQRIBK-UHFFFAOYSA-N -1 3 380.388 3.718 20 5 GHBDHM O=c1cc(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001472844112 1073690313 /nfs/dbraw/zinc/69/03/13/1073690313.db2.gz FFZRQEKEVHBALE-UHFFFAOYSA-N -1 3 385.811 3.594 20 5 GHBDHM CCOc1c(Cl)cc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1OC ZINC001473941675 1074212956 /nfs/dbraw/zinc/21/29/56/1074212956.db2.gz MSKACOYMHZBBBN-UHFFFAOYSA-N -1 3 396.827 3.660 20 5 GHBDHM CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001475124694 1074747332 /nfs/dbraw/zinc/74/73/32/1074747332.db2.gz BNJOGDBJSNBIAB-UHFFFAOYSA-N -1 3 380.441 3.900 20 5 GHBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC001475467738 1074886062 /nfs/dbraw/zinc/88/60/62/1074886062.db2.gz UGAWUTJIJAYBEA-STQMWFEESA-N -1 3 385.244 3.540 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000738368391 598854609 /nfs/dbraw/zinc/85/46/09/598854609.db2.gz CXROVYPNUWDRCM-UHFFFAOYSA-N -1 3 379.405 3.511 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2(c3cccs3)CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738374710 598856081 /nfs/dbraw/zinc/85/60/81/598856081.db2.gz SGALUUGTFATQHC-UHFFFAOYSA-N -1 3 385.453 3.545 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2(c3cccs3)CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738374710 598856082 /nfs/dbraw/zinc/85/60/82/598856082.db2.gz SGALUUGTFATQHC-UHFFFAOYSA-N -1 3 385.453 3.545 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667595 599054938 /nfs/dbraw/zinc/05/49/38/599054938.db2.gz MVFBQQWGQSMMMC-ZDBHGNHJSA-N -1 3 385.815 3.633 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667595 599054941 /nfs/dbraw/zinc/05/49/41/599054941.db2.gz MVFBQQWGQSMMMC-ZDBHGNHJSA-N -1 3 385.815 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000738360272 598245694 /nfs/dbraw/zinc/24/56/94/598245694.db2.gz UOZJSEHHICSOFK-RISCZKNCSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000738360272 598245697 /nfs/dbraw/zinc/24/56/97/598245697.db2.gz UOZJSEHHICSOFK-RISCZKNCSA-N -1 3 390.325 3.762 20 5 GHBDHM O=C([O-])[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833166663 600734132 /nfs/dbraw/zinc/73/41/32/600734132.db2.gz SQBSGFQHMCADHE-HNNXBMFYSA-N -1 3 384.219 3.729 20 5 GHBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821699484 607172910 /nfs/dbraw/zinc/17/29/10/607172910.db2.gz RMBRBEWPSOKFMO-UHFFFAOYSA-N -1 3 396.190 3.669 20 5 GHBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821699484 607172911 /nfs/dbraw/zinc/17/29/11/607172911.db2.gz RMBRBEWPSOKFMO-UHFFFAOYSA-N -1 3 396.190 3.669 20 5 GHBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826272199 607934247 /nfs/dbraw/zinc/93/42/47/607934247.db2.gz YNTNFKLUGCQJKH-UHFFFAOYSA-N -1 3 389.375 3.641 20 5 GHBDHM COc1ccccc1[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826219278 608124191 /nfs/dbraw/zinc/12/41/91/608124191.db2.gz XHNDLLWODHXNKH-OAHLLOKOSA-N -1 3 380.408 3.515 20 5 GHBDHM COc1ccccc1[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826219278 608124192 /nfs/dbraw/zinc/12/41/92/608124192.db2.gz XHNDLLWODHXNKH-OAHLLOKOSA-N -1 3 380.408 3.515 20 5 GHBDHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825259382 608160918 /nfs/dbraw/zinc/16/09/18/608160918.db2.gz JAXMZPYDMMPVQP-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825259382 608160919 /nfs/dbraw/zinc/16/09/19/608160919.db2.gz JAXMZPYDMMPVQP-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826497591 608464860 /nfs/dbraw/zinc/46/48/60/608464860.db2.gz MPOYLGKWBSNEOD-UHFFFAOYSA-N -1 3 396.838 3.718 20 5 GHBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826500450 609328523 /nfs/dbraw/zinc/32/85/23/609328523.db2.gz YRPISHZUBSLWKY-UHFFFAOYSA-N -1 3 399.208 3.540 20 5 GHBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826500450 609328525 /nfs/dbraw/zinc/32/85/25/609328525.db2.gz YRPISHZUBSLWKY-UHFFFAOYSA-N -1 3 399.208 3.540 20 5 GHBDHM Cc1cc(F)cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1[N+](=O)[O-] ZINC000175734192 835040168 /nfs/dbraw/zinc/04/01/68/835040168.db2.gz VENRLKVUOBPWGU-UHFFFAOYSA-N -1 3 385.254 3.804 20 5 GHBDHM Cc1csc(Sc2ccc(C(=O)[N-]c3nnc(C)s3)cc2[N+](=O)[O-])n1 ZINC000014714970 837002079 /nfs/dbraw/zinc/00/20/79/837002079.db2.gz OYLOKNNDGUSGFB-UHFFFAOYSA-N -1 3 393.475 3.923 20 5 GHBDHM O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000472936554 838483118 /nfs/dbraw/zinc/48/31/18/838483118.db2.gz DYMOIGLOOCCBEC-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM CC[C@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1)c1ccccc1 ZINC000106719772 841076677 /nfs/dbraw/zinc/07/66/77/841076677.db2.gz NKLMORMJFSMIAD-AWEZNQCLSA-N -1 3 383.433 3.944 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000512145891 842638231 /nfs/dbraw/zinc/63/82/31/842638231.db2.gz YNLBUXKDJVRVCL-SNVBAGLBSA-N -1 3 378.834 3.878 20 5 GHBDHM CCOc1cc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC ZINC000731458728 861654356 /nfs/dbraw/zinc/65/43/56/861654356.db2.gz PVFURKVCVZFERI-UHFFFAOYSA-N -1 3 393.327 3.692 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000731528955 861681425 /nfs/dbraw/zinc/68/14/25/861681425.db2.gz RVVPAFAVSQHLRM-QMMMGPOBSA-N -1 3 391.380 3.979 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c(Cl)c1 ZINC000183862920 847390169 /nfs/dbraw/zinc/39/01/69/847390169.db2.gz KLPVSWQKVIHSDW-UHFFFAOYSA-N -1 3 376.768 3.664 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000435604887 850692479 /nfs/dbraw/zinc/69/24/79/850692479.db2.gz QHZJKLMCKSRFGV-AULYBMBSSA-N -1 3 384.816 3.612 20 5 GHBDHM O=C(Nc1ccccc1N1CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484531049 860084991 /nfs/dbraw/zinc/08/49/91/860084991.db2.gz SYMFFTOTLVTKBQ-UHFFFAOYSA-N -1 3 376.372 3.642 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484792148 860351139 /nfs/dbraw/zinc/35/11/39/860351139.db2.gz WZGJHBHUSRCBGQ-RYUDHWBXSA-N -1 3 380.388 3.550 20 5 GHBDHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000484936131 860517761 /nfs/dbraw/zinc/51/77/61/860517761.db2.gz MLLXNYUAPZAVBE-UHFFFAOYSA-N -1 3 387.396 3.679 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c2ncccc12 ZINC000185692211 861000685 /nfs/dbraw/zinc/00/06/85/861000685.db2.gz WRUAELPJUJWGNV-UHFFFAOYSA-N -1 3 399.215 3.646 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2nc(-c3cccs3)oc2C)cc([N+](=O)[O-])c1 ZINC000735828598 865003473 /nfs/dbraw/zinc/00/34/73/865003473.db2.gz ZZEOOZUWLSZGJX-UHFFFAOYSA-N -1 3 387.373 3.659 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524069408 868479865 /nfs/dbraw/zinc/47/98/65/868479865.db2.gz AYWFQBVERWEUCJ-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021730236 868662465 /nfs/dbraw/zinc/66/24/65/868662465.db2.gz KXRFWZXGZMICCB-ZCFIWIBFSA-N -1 3 390.154 3.553 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)cc1 ZINC000524852006 869677933 /nfs/dbraw/zinc/67/79/33/869677933.db2.gz GDHMPKNVIBPTSP-SFHVURJKSA-N -1 3 392.433 3.698 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000541826758 874344264 /nfs/dbraw/zinc/34/42/64/874344264.db2.gz CDBDFJAFOQZDGU-LLVKDONJSA-N -1 3 388.367 3.696 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3[C@H](C)C[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000530379593 877677651 /nfs/dbraw/zinc/67/76/51/877677651.db2.gz KTLWMVMQWXFBEV-GASCZTMLSA-N -1 3 389.477 4.000 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000762647947 886615181 /nfs/dbraw/zinc/61/51/81/886615181.db2.gz KEVRRALBDYCYSV-UHFFFAOYSA-N -1 3 399.472 3.830 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000032586107 887413538 /nfs/dbraw/zinc/41/35/38/887413538.db2.gz ZYULBHGHBLVVCH-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c([O-])c1 ZINC000864242521 887656530 /nfs/dbraw/zinc/65/65/30/887656530.db2.gz IQAXRROVJVLGHM-UHFFFAOYSA-N -1 3 396.403 3.710 20 5 GHBDHM Cc1cscc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809839647 887856757 /nfs/dbraw/zinc/85/67/57/887856757.db2.gz JDVCJBMFUFFTJU-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000811395319 889535955 /nfs/dbraw/zinc/53/59/55/889535955.db2.gz BUANDCVXETVGCB-MRVPVSSYSA-N -1 3 393.808 3.975 20 5 GHBDHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832523 890017516 /nfs/dbraw/zinc/01/75/16/890017516.db2.gz SNRJWOCLCBFMAD-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001185508299 913925045 /nfs/dbraw/zinc/92/50/45/913925045.db2.gz YPIWDKCFYYFJGD-HNNXBMFYSA-N -1 3 388.367 3.794 20 5 GHBDHM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1F ZINC000130916500 897252543 /nfs/dbraw/zinc/25/25/43/897252543.db2.gz FBWHXKYFQQIVQO-UHFFFAOYSA-N -1 3 392.767 3.644 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000130599164 902998485 /nfs/dbraw/zinc/99/84/85/902998485.db2.gz BYGIBDNLRNKCEU-UHFFFAOYSA-N -1 3 385.243 3.804 20 5 GHBDHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001187102665 915011394 /nfs/dbraw/zinc/01/13/94/915011394.db2.gz XSRLEOOLWPTIDM-SNVBAGLBSA-N -1 3 393.303 3.850 20 5 GHBDHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001188459253 915984281 /nfs/dbraw/zinc/98/42/81/915984281.db2.gz FFJKIPXSGPQVJF-UHFFFAOYSA-N -1 3 398.868 3.742 20 5 GHBDHM COc1cc(Cc2noc(-c3ccc4c(c3[O-])CCCC4)n2)ccc1[N+](=O)[O-] ZINC000546491533 930211907 /nfs/dbraw/zinc/21/19/07/930211907.db2.gz ITCVCGFDTKBRAH-UHFFFAOYSA-N -1 3 381.388 3.829 20 5 GHBDHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)n1 ZINC000559993046 933002829 /nfs/dbraw/zinc/00/28/29/933002829.db2.gz DAFLYYOLRVATMW-UHFFFAOYSA-N -1 3 386.433 3.507 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001598507354 992523115 /nfs/dbraw/zinc/52/31/15/992523115.db2.gz OAKMFPONPNCOFL-XLIONFOSSA-N -1 3 384.432 3.893 20 5 GHBDHM COc1cc(O[C@@H](C)c2nccs2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227640453 1032498027 /nfs/dbraw/zinc/49/80/27/1032498027.db2.gz BLZYVWQKCPXHBR-VIFPVBQESA-N -1 3 385.397 3.963 20 5 GHBDHM COc1cc(O[C@@H]2CC=C(OC)CC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641057 1032498360 /nfs/dbraw/zinc/49/83/60/1032498360.db2.gz JEVJHMCHHRTRIW-GFCCVEGCSA-N -1 3 384.384 3.828 20 5 GHBDHM COc1cc(O[C@@H](C)c2cccnc2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646731 1032500473 /nfs/dbraw/zinc/50/04/73/1032500473.db2.gz SBBXJZAFLCAJEZ-NSHDSACASA-N -1 3 379.368 3.901 20 5 GHBDHM COc1cc(O[C@@H](C)c2cnn(C)c2C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646372 1032500735 /nfs/dbraw/zinc/50/07/35/1032500735.db2.gz RCSKEQGFTCQPBF-NSHDSACASA-N -1 3 396.399 3.548 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@H]2CCc3ccc(Br)cc32)c2[n-]cnc21 ZINC001227692086 1032518589 /nfs/dbraw/zinc/51/85/89/1032518589.db2.gz SWKYTMUCWKIAAF-LBPRGKRZSA-N -1 3 375.182 3.695 20 5 GHBDHM CCN1CCC[C@@H](Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701793 1032523243 /nfs/dbraw/zinc/52/32/43/1032523243.db2.gz JISUMWNIMZMFOH-QGZVFWFLSA-N -1 3 384.432 3.703 20 5 GHBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001227742403 1032539055 /nfs/dbraw/zinc/53/90/55/1032539055.db2.gz ZKNJAPNHFACKFF-GFCCVEGCSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001227742403 1032539063 /nfs/dbraw/zinc/53/90/63/1032539063.db2.gz ZKNJAPNHFACKFF-GFCCVEGCSA-N -1 3 390.440 3.886 20 5 GHBDHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901787810 1021447582 /nfs/dbraw/zinc/44/75/82/1021447582.db2.gz SKIVJAUNSRMICY-INIZCTEOSA-N -1 3 384.310 3.694 20 5 GHBDHM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689307 1033047447 /nfs/dbraw/zinc/04/74/47/1033047447.db2.gz QZHGLOFINSHCQV-GXTWGEPZSA-N -1 3 381.429 3.562 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])s1 ZINC001209760257 1027156579 /nfs/dbraw/zinc/15/65/79/1027156579.db2.gz RBHMBVJRVDMXLV-SECBINFHSA-N -1 3 383.476 3.614 20 5 GHBDHM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001210595933 1027568384 /nfs/dbraw/zinc/56/83/84/1027568384.db2.gz YYLOHGBNKPGDEX-GJZGRUSLSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001210804069 1027655924 /nfs/dbraw/zinc/65/59/24/1027655924.db2.gz QXQJWBXLKBNFNW-OAHLLOKOSA-N -1 3 378.425 3.743 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC001211346440 1027915010 /nfs/dbraw/zinc/91/50/10/1027915010.db2.gz GKMHWTAOSALDPV-ZDUSSCGKSA-N -1 3 382.404 3.803 20 5 GHBDHM COc1ccc2cc([O-])c(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)cc2c1 ZINC001217524483 1030464895 /nfs/dbraw/zinc/46/48/95/1030464895.db2.gz OZFLKKQEAWLNFC-UHFFFAOYSA-N -1 3 382.307 3.713 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H]2CC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218036937 1030735408 /nfs/dbraw/zinc/73/54/08/1030735408.db2.gz SPCHZCXKXDEKLJ-CYBMUJFWSA-N -1 3 381.428 3.607 20 5 GHBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2nc(=S)[n-]c3sccc32)CC1 ZINC001229570603 1033562866 /nfs/dbraw/zinc/56/28/66/1033562866.db2.gz SHRUYVKMHCKNHO-UHFFFAOYSA-N -1 3 388.474 3.936 20 5 GHBDHM CCC[C@@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OCC ZINC001234170488 1039905303 /nfs/dbraw/zinc/90/53/03/1039905303.db2.gz JDURXXRWCVBFMZ-MRXNPFEDSA-N -1 3 399.443 3.517 20 5 GHBDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462896180 1070636144 /nfs/dbraw/zinc/63/61/44/1070636144.db2.gz MZSNNPLWOBWGQJ-SECBINFHSA-N -1 3 394.396 3.585 20 5 GHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001264246355 1047279074 /nfs/dbraw/zinc/27/90/74/1047279074.db2.gz ALHAUFQZZNFZFM-UHFFFAOYSA-N -1 3 386.257 3.792 20 5 GHBDHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC001309533896 1050791185 /nfs/dbraw/zinc/79/11/85/1050791185.db2.gz MVKTZQNICOSYFW-UHFFFAOYSA-N -1 3 394.880 3.875 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(C(F)F)c1 ZINC001320526147 1055859800 /nfs/dbraw/zinc/85/98/00/1055859800.db2.gz SOZMCMNWMLJVFL-UHFFFAOYSA-N -1 3 376.768 3.664 20 5 GHBDHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457563153 1063248405 /nfs/dbraw/zinc/24/84/05/1063248405.db2.gz DUMLRLYMJCTBKB-UHFFFAOYSA-N -1 3 376.800 3.591 20 5 GHBDHM O=c1cc(CNc2cccc(Br)c2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001458518336 1063863355 /nfs/dbraw/zinc/86/33/55/1063863355.db2.gz STQGGDTZHDKSQA-UHFFFAOYSA-N -1 3 379.214 3.733 20 5 GHBDHM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001464802852 1065220727 /nfs/dbraw/zinc/22/07/27/1065220727.db2.gz WNBJMFRBVKKRKZ-VIFPVBQESA-N -1 3 390.248 3.645 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC001475057432 1074714916 /nfs/dbraw/zinc/71/49/16/1074714916.db2.gz SASHQJBNZRGLDK-UWVGGRQHSA-N -1 3 386.417 3.612 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(Cl)c1 ZINC001475517290 1074902682 /nfs/dbraw/zinc/90/26/82/1074902682.db2.gz AAYJJMIPFBLBOV-UHOFOFEASA-N -1 3 399.255 3.518 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC001475614870 1074928088 /nfs/dbraw/zinc/92/80/88/1074928088.db2.gz KTSRDPVHQPXLIU-JKSUJKDBSA-N -1 3 378.425 3.516 20 5 GHBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)Cc1cccs1 ZINC000820275280 599040531 /nfs/dbraw/zinc/04/05/31/599040531.db2.gz OMVDPZCOZHXGRZ-NSHDSACASA-N -1 3 395.448 3.675 20 5 GHBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)Cc1cccs1 ZINC000820275280 599040533 /nfs/dbraw/zinc/04/05/33/599040533.db2.gz OMVDPZCOZHXGRZ-NSHDSACASA-N -1 3 395.448 3.675 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822233637 599108246 /nfs/dbraw/zinc/10/82/46/599108246.db2.gz SFZHWSFXCQCZHO-VQIMIIECSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822233637 599108248 /nfs/dbraw/zinc/10/82/48/599108248.db2.gz SFZHWSFXCQCZHO-VQIMIIECSA-N -1 3 394.435 3.663 20 5 GHBDHM CCc1ccc([C@@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821483114 599110834 /nfs/dbraw/zinc/11/08/34/599110834.db2.gz XSEMRWCLZBBIOO-PXAZEXFGSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821483114 599110837 /nfs/dbraw/zinc/11/08/37/599110837.db2.gz XSEMRWCLZBBIOO-PXAZEXFGSA-N -1 3 382.424 3.908 20 5 GHBDHM O=[N+]([O-])c1ncccc1Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738373499 598557848 /nfs/dbraw/zinc/55/78/48/598557848.db2.gz DVZPQLCXEIFXPY-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ncccc1Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738373499 598557849 /nfs/dbraw/zinc/55/78/49/598557849.db2.gz DVZPQLCXEIFXPY-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678891 599484611 /nfs/dbraw/zinc/48/46/11/599484611.db2.gz ZYDNKTJRXACHOE-GXFFZTMASA-N -1 3 391.391 3.652 20 5 GHBDHM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678891 599484612 /nfs/dbraw/zinc/48/46/12/599484612.db2.gz ZYDNKTJRXACHOE-GXFFZTMASA-N -1 3 391.391 3.652 20 5 GHBDHM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822274615 599541660 /nfs/dbraw/zinc/54/16/60/599541660.db2.gz CSHIDUZRCBUJPH-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000822274615 599541661 /nfs/dbraw/zinc/54/16/61/599541661.db2.gz CSHIDUZRCBUJPH-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3coc4ccccc34)cc(-c3nnn[n-]3)c2c1 ZINC000823645940 599558869 /nfs/dbraw/zinc/55/88/69/599558869.db2.gz XCJSMOFDEMBWFU-UHFFFAOYSA-N -1 3 387.359 3.681 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3coc4ccccc34)cc(-c3nn[n-]n3)c2c1 ZINC000823645940 599558870 /nfs/dbraw/zinc/55/88/70/599558870.db2.gz XCJSMOFDEMBWFU-UHFFFAOYSA-N -1 3 387.359 3.681 20 5 GHBDHM Cc1ccc(C[C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822234883 599564123 /nfs/dbraw/zinc/56/41/23/599564123.db2.gz KNQPWQSFWIRTTI-JTQLQIEISA-N -1 3 395.448 3.736 20 5 GHBDHM Cc1ccc(C[C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822234883 599564125 /nfs/dbraw/zinc/56/41/25/599564125.db2.gz KNQPWQSFWIRTTI-JTQLQIEISA-N -1 3 395.448 3.736 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccncc2)cc1 ZINC000823635191 607459498 /nfs/dbraw/zinc/45/94/98/607459498.db2.gz SFFUCEFIPYLQRC-WQRHYEAKSA-N -1 3 388.362 3.898 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccncc2)cc1 ZINC000823635191 607459499 /nfs/dbraw/zinc/45/94/99/607459499.db2.gz SFFUCEFIPYLQRC-WQRHYEAKSA-N -1 3 388.362 3.898 20 5 GHBDHM C[C@H](c1ccc(F)cc1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820564098 606448132 /nfs/dbraw/zinc/44/81/32/606448132.db2.gz YJZTVTIBPFCEMS-LLVKDONJSA-N -1 3 393.382 3.660 20 5 GHBDHM C[C@H](c1ccc(F)cc1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820564098 606448134 /nfs/dbraw/zinc/44/81/34/606448134.db2.gz YJZTVTIBPFCEMS-LLVKDONJSA-N -1 3 393.382 3.660 20 5 GHBDHM C[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820564099 606448599 /nfs/dbraw/zinc/44/85/99/606448599.db2.gz YJZTVTIBPFCEMS-NSHDSACASA-N -1 3 393.382 3.660 20 5 GHBDHM C[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820564099 606448601 /nfs/dbraw/zinc/44/86/01/606448601.db2.gz YJZTVTIBPFCEMS-NSHDSACASA-N -1 3 393.382 3.660 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(=Cc2ccccc2F)CC1 ZINC000823630105 606803088 /nfs/dbraw/zinc/80/30/88/606803088.db2.gz RTPNGNFAWAHBGP-UHFFFAOYSA-N -1 3 380.383 3.598 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(=Cc2ccccc2F)CC1 ZINC000823630105 606803091 /nfs/dbraw/zinc/80/30/91/606803091.db2.gz RTPNGNFAWAHBGP-UHFFFAOYSA-N -1 3 380.383 3.598 20 5 GHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023345741 834347317 /nfs/dbraw/zinc/34/73/17/834347317.db2.gz QFATWQHTCSPQBB-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187070000 835000160 /nfs/dbraw/zinc/00/01/60/835000160.db2.gz XOXLPTBAIJCGPT-UHFFFAOYSA-N -1 3 389.371 3.501 20 5 GHBDHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000559145403 835282008 /nfs/dbraw/zinc/28/20/08/835282008.db2.gz JIFQLHCPEJURMU-SJLPKXTDSA-N -1 3 379.819 3.628 20 5 GHBDHM O=C([N-]c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000134974448 838237084 /nfs/dbraw/zinc/23/70/84/838237084.db2.gz KYDZNRJWAVPDGV-UHFFFAOYSA-N -1 3 383.311 3.713 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000511925131 842448076 /nfs/dbraw/zinc/44/80/76/842448076.db2.gz CSMOHDSLEGXLRS-LLVKDONJSA-N -1 3 388.367 3.962 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512143786 842632776 /nfs/dbraw/zinc/63/27/76/842632776.db2.gz CKSKTFGFWZSYDW-JTQLQIEISA-N -1 3 390.870 3.748 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000604016957 861585983 /nfs/dbraw/zinc/58/59/83/861585983.db2.gz NVVTYFPGTOJFIZ-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000502969502 846673543 /nfs/dbraw/zinc/67/35/43/846673543.db2.gz MFUHKQGQPKHCOS-MEYUZBJRSA-N -1 3 392.415 3.865 20 5 GHBDHM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000519002018 850468393 /nfs/dbraw/zinc/46/83/93/850468393.db2.gz CAQRWLICQJSVGQ-LBPRGKRZSA-N -1 3 382.413 3.561 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000487568172 850734446 /nfs/dbraw/zinc/73/44/46/850734446.db2.gz QSNMZMBHVSNBCT-FQEVSTJZSA-N -1 3 383.448 3.503 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)c(Cl)c1 ZINC000604434110 862203749 /nfs/dbraw/zinc/20/37/49/862203749.db2.gz SAKCHUSZQVSRHK-UHFFFAOYSA-N -1 3 384.816 3.745 20 5 GHBDHM CC(C)CCSc1ccc(C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000473631814 851311932 /nfs/dbraw/zinc/31/19/32/851311932.db2.gz ZTPGOWJBBFZMCP-UHFFFAOYSA-N -1 3 375.450 3.764 20 5 GHBDHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000436525769 852014913 /nfs/dbraw/zinc/01/49/13/852014913.db2.gz OOAUGHXQLKLGFM-UHFFFAOYSA-N -1 3 381.373 3.553 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000436637357 852132064 /nfs/dbraw/zinc/13/20/64/852132064.db2.gz XWAXVJDESBMLGX-INIZCTEOSA-N -1 3 389.477 3.565 20 5 GHBDHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426823899 852436211 /nfs/dbraw/zinc/43/62/11/852436211.db2.gz KNGRBUBKRJTQEB-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507302447 852779514 /nfs/dbraw/zinc/77/95/14/852779514.db2.gz MGBUSGDOIZOUPR-CRAIPNDOSA-N -1 3 383.448 3.598 20 5 GHBDHM O=C([O-])Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000516972761 853213709 /nfs/dbraw/zinc/21/37/09/853213709.db2.gz IYPJERBXTDGSGX-MRXNPFEDSA-N -1 3 375.450 3.532 20 5 GHBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590556012 855474529 /nfs/dbraw/zinc/47/45/29/855474529.db2.gz DDNZYOTZZRCDPB-UHFFFAOYSA-N -1 3 378.797 3.561 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000591587810 856168596 /nfs/dbraw/zinc/16/85/96/856168596.db2.gz HTDMHJCHOGQKKY-CQSZACIVSA-N -1 3 384.841 3.686 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000486007392 857342233 /nfs/dbraw/zinc/34/22/33/857342233.db2.gz OHSZXMLAXPXHFZ-AWEZNQCLSA-N -1 3 392.330 3.624 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1Cl ZINC000521188649 857725251 /nfs/dbraw/zinc/72/52/51/857725251.db2.gz IJPOHKRJGPMFBA-UHFFFAOYSA-N -1 3 375.233 3.689 20 5 GHBDHM O=C([O-])CC[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000596022088 858763375 /nfs/dbraw/zinc/76/33/75/858763375.db2.gz ODMVZJCMTFPLSL-LLVKDONJSA-N -1 3 386.326 3.988 20 5 GHBDHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 ZINC000596131875 858788342 /nfs/dbraw/zinc/78/83/42/858788342.db2.gz FEXBNRZYKHJHET-UHFFFAOYSA-N -1 3 386.408 3.966 20 5 GHBDHM COc1ccc([N-]C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c([N+](=O)[O-])c1 ZINC000117578336 859521639 /nfs/dbraw/zinc/52/16/39/859521639.db2.gz KFISLYRSMBSBEO-UHFFFAOYSA-N -1 3 399.382 3.699 20 5 GHBDHM O=c1[n-]ccc(N2CCC(Cc3nc(C4CCCCC4)no3)CC2)c1[N+](=O)[O-] ZINC000599117909 860817261 /nfs/dbraw/zinc/81/72/61/860817261.db2.gz JPIDTQSGPJRZOB-UHFFFAOYSA-N -1 3 387.440 3.585 20 5 GHBDHM O=C(CCC1CCCCC1)[N-]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730100743 860870157 /nfs/dbraw/zinc/87/01/57/860870157.db2.gz VKHKVNPJQWVBBK-UHFFFAOYSA-N -1 3 383.832 3.595 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000444038221 863195835 /nfs/dbraw/zinc/19/58/35/863195835.db2.gz XPHLNTWERVJCEY-UHFFFAOYSA-N -1 3 389.477 3.690 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000736194392 865153922 /nfs/dbraw/zinc/15/39/22/865153922.db2.gz BITQBONFFBOWMX-UHFFFAOYSA-N -1 3 399.334 3.736 20 5 GHBDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742265390 867179608 /nfs/dbraw/zinc/17/96/08/867179608.db2.gz HMFZNAJDRRWOSB-UHFFFAOYSA-N -1 3 393.303 3.850 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000609068868 867333787 /nfs/dbraw/zinc/33/37/87/867333787.db2.gz UKCKJPZDEBKELK-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM O=C(Cc1cc(Cl)ccc1Cl)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523550630 867516570 /nfs/dbraw/zinc/51/65/70/867516570.db2.gz OWCVRNANPWOYMR-UHFFFAOYSA-N -1 3 391.214 3.895 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000446774610 870331958 /nfs/dbraw/zinc/33/19/58/870331958.db2.gz HICKLPDARALJQQ-UHFFFAOYSA-N -1 3 399.266 3.916 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447276057 871302471 /nfs/dbraw/zinc/30/24/71/871302471.db2.gz XJVAXVPLORRVCG-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM COc1cccc(I)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232544 875567772 /nfs/dbraw/zinc/56/77/72/875567772.db2.gz RHUDSGOEHMSOJG-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM COC(=O)c1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201223256 875585774 /nfs/dbraw/zinc/58/57/74/875585774.db2.gz VCUSFRSJKSQPSU-UHFFFAOYSA-N -1 3 381.182 3.902 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1Br ZINC000192727088 877466707 /nfs/dbraw/zinc/46/67/07/877466707.db2.gz JFNHTBCGVQFSOP-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1[N+](=O)[O-] ZINC000852970985 878689948 /nfs/dbraw/zinc/68/99/48/878689948.db2.gz BUAROIWNWOFCCS-UHFFFAOYSA-N -1 3 395.394 3.676 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc(Cl)ccc1Cl ZINC000010964361 881202282 /nfs/dbraw/zinc/20/22/82/881202282.db2.gz YSNZHBNRKJDMQN-UHFFFAOYSA-N -1 3 384.175 3.710 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000609802728 883663806 /nfs/dbraw/zinc/66/38/06/883663806.db2.gz LRFKYLONBUUHKR-VIFPVBQESA-N -1 3 375.233 3.941 20 5 GHBDHM COc1c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cccc1[N+](=O)[O-] ZINC000475789484 883831333 /nfs/dbraw/zinc/83/13/33/883831333.db2.gz DJFBLSXIGSQHIA-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM O=C([N-]c1ccnc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])o1 ZINC001130426661 884188191 /nfs/dbraw/zinc/18/81/91/884188191.db2.gz DWFDPXUGEAETPC-UHFFFAOYSA-N -1 3 389.165 3.660 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)CC(F)F)c([N+](=O)[O-])c2)c(C)c1 ZINC000498928645 886123282 /nfs/dbraw/zinc/12/32/82/886123282.db2.gz ISSZVDISTCDHQL-UHFFFAOYSA-N -1 3 399.419 3.714 20 5 GHBDHM Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)noc1C(C)(C)C ZINC001132674970 889285228 /nfs/dbraw/zinc/28/52/28/889285228.db2.gz LHLRNUQLFSCZAH-UHFFFAOYSA-N -1 3 375.381 3.602 20 5 GHBDHM COc1ccccc1[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])N1CCCC1 ZINC000567355916 897088688 /nfs/dbraw/zinc/08/86/88/897088688.db2.gz VKGFBIPMEYDMPJ-IBGZPJMESA-N -1 3 399.447 3.859 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)ccc1OC(C)C ZINC000800052168 898539426 /nfs/dbraw/zinc/53/94/26/898539426.db2.gz JOWKBBUWGIMHLS-UHFFFAOYSA-N -1 3 382.413 3.939 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000800052464 898539703 /nfs/dbraw/zinc/53/97/03/898539703.db2.gz XXACLXNRISFYMD-UHFFFAOYSA-N -1 3 376.768 3.777 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1csc(-c2ccccc2)n1 ZINC000823629763 899143384 /nfs/dbraw/zinc/14/33/84/899143384.db2.gz GQIPORDLKOJYFK-UHFFFAOYSA-N -1 3 393.432 3.553 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1csc(-c2ccccc2)n1 ZINC000823629763 899143395 /nfs/dbraw/zinc/14/33/95/899143395.db2.gz GQIPORDLKOJYFK-UHFFFAOYSA-N -1 3 393.432 3.553 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc4ccoc43)no2)c1Br ZINC001212837292 903508769 /nfs/dbraw/zinc/50/87/69/903508769.db2.gz DLSYCDHXRPFZIG-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc4ccoc43)no2)c1Br ZINC001212837292 903508775 /nfs/dbraw/zinc/50/87/75/903508775.db2.gz DLSYCDHXRPFZIG-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc(Cl)c3F)no2)c1Br ZINC001212837459 903530460 /nfs/dbraw/zinc/53/04/60/903530460.db2.gz MIKRNYBPWKPJAJ-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc(Cl)c3F)no2)c1Br ZINC001212837459 903530468 /nfs/dbraw/zinc/53/04/68/903530468.db2.gz MIKRNYBPWKPJAJ-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000303446158 914817329 /nfs/dbraw/zinc/81/73/29/914817329.db2.gz CXKKKRIMGJFUAA-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000193721426 908656092 /nfs/dbraw/zinc/65/60/92/908656092.db2.gz JPGLOJPCWHODRS-UHFFFAOYSA-N -1 3 395.272 3.586 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4c(c3)CCCC4)cs2)n1 ZINC000270788012 910700456 /nfs/dbraw/zinc/70/04/56/910700456.db2.gz AFZACRLGTYCQLJ-UHFFFAOYSA-N -1 3 383.433 3.583 20 5 GHBDHM Cc1cc(OC(F)(F)F)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935855 911769227 /nfs/dbraw/zinc/76/92/27/911769227.db2.gz QRDWMCVDSNTAFC-UHFFFAOYSA-N -1 3 382.254 3.619 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc4cccnc43)no2)[n-]nc1C(F)(F)F ZINC001212972595 916160530 /nfs/dbraw/zinc/16/05/30/916160530.db2.gz FWBYNZZSTVVJPM-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM CCCOc1ccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)cc1 ZINC001212972967 916164044 /nfs/dbraw/zinc/16/40/44/916164044.db2.gz OMDPUECNRHMROR-UHFFFAOYSA-N -1 3 383.286 3.843 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc(OC4CC4)c3)no2)[n-]nc1C(F)(F)F ZINC001212973337 916169654 /nfs/dbraw/zinc/16/96/54/916169654.db2.gz XECGNHASPRKYDH-UHFFFAOYSA-N -1 3 381.270 3.595 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2ccc(Cl)nn2)c([N+](=O)[O-])cc1OCCC ZINC000297680817 919598735 /nfs/dbraw/zinc/59/87/35/919598735.db2.gz DKOQHHWGWJWSOP-UHFFFAOYSA-N -1 3 394.815 3.868 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000010963550 924495502 /nfs/dbraw/zinc/49/55/02/924495502.db2.gz UFSFYCZEPHRKOB-UHFFFAOYSA-N -1 3 393.739 3.570 20 5 GHBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011809041 925635941 /nfs/dbraw/zinc/63/59/41/925635941.db2.gz MJCKFBUIAWMPNS-UHFFFAOYSA-N -1 3 392.582 3.679 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781596802 930898491 /nfs/dbraw/zinc/89/84/91/930898491.db2.gz CSYPAUVFUXTQBN-UHFFFAOYSA-N -1 3 389.217 3.635 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c(F)cc1F ZINC001124714140 935452228 /nfs/dbraw/zinc/45/22/28/935452228.db2.gz ZHCOIRQKZANTMD-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM CC1CCN(c2ccc(Nc3cc(F)c(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)CC1 ZINC001576213503 950632253 /nfs/dbraw/zinc/63/22/53/950632253.db2.gz BDDPRVFFNXEIHJ-UHFFFAOYSA-N -1 3 397.414 3.894 20 5 GHBDHM CC1CCN(c2ccc(Nc3cc(F)c(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)CC1 ZINC001576213503 950632263 /nfs/dbraw/zinc/63/22/63/950632263.db2.gz BDDPRVFFNXEIHJ-UHFFFAOYSA-N -1 3 397.414 3.894 20 5 GHBDHM C[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576216839 950739998 /nfs/dbraw/zinc/73/99/98/950739998.db2.gz JLIRQZVVHJWHED-NXEZZACHSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576216839 950740009 /nfs/dbraw/zinc/74/00/09/950740009.db2.gz JLIRQZVVHJWHED-NXEZZACHSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@H]1c2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576216844 950741204 /nfs/dbraw/zinc/74/12/04/950741204.db2.gz JLIRQZVVHJWHED-VHSXEESVSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@H]1c2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576216844 950741218 /nfs/dbraw/zinc/74/12/18/950741218.db2.gz JLIRQZVVHJWHED-VHSXEESVSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594388119 999468915 /nfs/dbraw/zinc/46/89/15/999468915.db2.gz IAOYJMLHFYLRJC-QKKBWIMNSA-N -1 3 384.432 3.862 20 5 GHBDHM C[C@@H]1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740870 1032537928 /nfs/dbraw/zinc/53/79/28/1032537928.db2.gz BHLXOGZOZDWUJO-DGCLKSJQSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740870 1032537931 /nfs/dbraw/zinc/53/79/31/1032537931.db2.gz BHLXOGZOZDWUJO-DGCLKSJQSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743259 1032539074 /nfs/dbraw/zinc/53/90/74/1032539074.db2.gz KDDBFMKJUOCDRS-DGCLKSJQSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743259 1032539079 /nfs/dbraw/zinc/53/90/79/1032539079.db2.gz KDDBFMKJUOCDRS-DGCLKSJQSA-N -1 3 376.413 3.638 20 5 GHBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001141574401 1025635133 /nfs/dbraw/zinc/63/51/33/1025635133.db2.gz MZTVTYMKUODWTB-UHFFFAOYSA-N -1 3 391.427 3.733 20 5 GHBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-][C@@H](c2ccccc2OC)C(F)(F)F)n1 ZINC001162902731 1025960757 /nfs/dbraw/zinc/96/07/57/1025960757.db2.gz OZLWQHFCRWNJKK-ZDUSSCGKSA-N -1 3 385.298 3.501 20 5 GHBDHM O=c1cc(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)nc(C2CC2)[n-]1 ZINC000839653632 1026175604 /nfs/dbraw/zinc/17/56/04/1026175604.db2.gz AIIINUKMNOBXGA-AWEZNQCLSA-N -1 3 386.305 3.500 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001211274191 1027880341 /nfs/dbraw/zinc/88/03/41/1027880341.db2.gz XMCMSGRPAFCSNY-BBATYDOGSA-N -1 3 378.425 3.644 20 5 GHBDHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc12 ZINC001226536676 1032001677 /nfs/dbraw/zinc/00/16/77/1032001677.db2.gz YJMBMPNWPNTCRY-SNVBAGLBSA-N -1 3 385.328 3.584 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2csc3ccccc23)c([N+](=O)[O-])s1 ZINC001208403307 1034884168 /nfs/dbraw/zinc/88/41/68/1034884168.db2.gz AMLDMTKJLJLVPL-UHFFFAOYSA-N -1 3 382.488 3.700 20 5 GHBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001209682518 1035354569 /nfs/dbraw/zinc/35/45/69/1035354569.db2.gz JGXOYTDZCGLTCG-WDEREUQCSA-N -1 3 398.428 3.566 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC001462110587 1069999095 /nfs/dbraw/zinc/99/90/95/1069999095.db2.gz LKPCSMIXIMVVPK-MRXNPFEDSA-N -1 3 396.802 3.675 20 5 GHBDHM C[C@@H]1C[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233497845 1039392154 /nfs/dbraw/zinc/39/21/54/1039392154.db2.gz IOGVDQCPLNASAV-NXEZZACHSA-N -1 3 396.831 3.901 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(O[C@H]4C=CCC4)c(OC)c3oc-2c1 ZINC001234758225 1040287288 /nfs/dbraw/zinc/28/72/88/1040287288.db2.gz QDAOISXHVAXKGX-NSHDSACASA-N -1 3 384.384 3.775 20 5 GHBDHM COc1cc([O-])c2c(=O)c3cc(OC)c(O[C@H]4C=CCC4)c(OC)c3oc2c1 ZINC001234758225 1040287302 /nfs/dbraw/zinc/28/73/02/1040287302.db2.gz QDAOISXHVAXKGX-NSHDSACASA-N -1 3 384.384 3.775 20 5 GHBDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293642 1043959542 /nfs/dbraw/zinc/95/95/42/1043959542.db2.gz CVSUHLKZMGIQJA-UWVGGRQHSA-N -1 3 379.298 3.966 20 5 GHBDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293642 1043959545 /nfs/dbraw/zinc/95/95/45/1043959545.db2.gz CVSUHLKZMGIQJA-UWVGGRQHSA-N -1 3 379.298 3.966 20 5 GHBDHM CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC001295136966 1044928528 /nfs/dbraw/zinc/92/85/28/1044928528.db2.gz UNLAWOGOLZGBNT-MRXNPFEDSA-N -1 3 385.807 3.971 20 5 GHBDHM CC1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001463166814 1070870358 /nfs/dbraw/zinc/87/03/58/1070870358.db2.gz PPFJNDTVNPJFKR-UHFFFAOYSA-N -1 3 380.388 3.861 20 5 GHBDHM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463235887 1070930453 /nfs/dbraw/zinc/93/04/53/1070930453.db2.gz XHYOYWXJEUNDMP-QGHHPUGFSA-N -1 3 398.843 3.989 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)ccc1[N+](=O)[O-] ZINC001328419263 1050503600 /nfs/dbraw/zinc/50/36/00/1050503600.db2.gz GXBSUSWWZMIKGC-UHFFFAOYSA-N -1 3 375.381 3.634 20 5 GHBDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309293040 1050564865 /nfs/dbraw/zinc/56/48/65/1050564865.db2.gz IVNQZAUQKMGLOB-ZDUSSCGKSA-N -1 3 391.287 3.604 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 ZINC001324657985 1057193462 /nfs/dbraw/zinc/19/34/62/1057193462.db2.gz PNXDLPPDSAKNLU-MRVPVSSYSA-N -1 3 376.768 3.566 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001445912338 1059654277 /nfs/dbraw/zinc/65/42/77/1059654277.db2.gz PDMRMGUWAZERKY-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM O=C([N-]c1c(Cl)cncc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC001457622062 1063284186 /nfs/dbraw/zinc/28/41/86/1063284186.db2.gz RLWJAMDZSPXCQO-UHFFFAOYSA-N -1 3 391.008 3.733 20 5 GHBDHM CC(C)C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC001463559106 1064459162 /nfs/dbraw/zinc/45/91/62/1064459162.db2.gz GIIBFVSOLZQKQO-UHFFFAOYSA-N -1 3 393.303 3.564 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC(F)CC1 ZINC001464165901 1064880102 /nfs/dbraw/zinc/88/01/02/1064880102.db2.gz UNEVBVJCTAZPQL-KPPDAEKUSA-N -1 3 398.378 3.809 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001467325475 1067227034 /nfs/dbraw/zinc/22/70/34/1067227034.db2.gz CHEXGYHVGVGILZ-UHFFFAOYSA-N -1 3 377.784 3.923 20 5 GHBDHM COc1cc(CNc2ccc(OCC3CCOCC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC001474011967 1074235458 /nfs/dbraw/zinc/23/54/58/1074235458.db2.gz TUUAJNIARZFXJR-UHFFFAOYSA-N -1 3 388.420 3.727 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC001474987915 1074669811 /nfs/dbraw/zinc/66/98/11/1074669811.db2.gz XXKDLLRFGZLGLJ-AWEZNQCLSA-N -1 3 388.367 3.750 20 5 GHBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](c2ccccc2)C1 ZINC001475385325 1074856306 /nfs/dbraw/zinc/85/63/06/1074856306.db2.gz FGDDQUAXYZYPSB-BPUTZDHNSA-N -1 3 392.452 3.985 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3Cl)cc(-c3nnn[n-]3)c2c1 ZINC000738366973 599254329 /nfs/dbraw/zinc/25/43/29/599254329.db2.gz LUTAEWJOTLGLFY-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3Cl)cc(-c3nn[n-]n3)c2c1 ZINC000738366973 599254330 /nfs/dbraw/zinc/25/43/30/599254330.db2.gz LUTAEWJOTLGLFY-UHFFFAOYSA-N -1 3 381.783 3.589 20 5 GHBDHM Cc1c2c(nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)c1-c1nnn[n-]1)CCC2 ZINC000737219458 598284993 /nfs/dbraw/zinc/28/49/93/598284993.db2.gz RLPSGPISDYGVDG-LLVKDONJSA-N -1 3 382.449 3.820 20 5 GHBDHM Cc1c2c(nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)c1-c1nn[n-]n1)CCC2 ZINC000737219458 598284995 /nfs/dbraw/zinc/28/49/95/598284995.db2.gz RLPSGPISDYGVDG-LLVKDONJSA-N -1 3 382.449 3.820 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738360373 598299759 /nfs/dbraw/zinc/29/97/59/598299759.db2.gz WBLVSYLGKBGDQM-UHFFFAOYSA-N -1 3 391.218 3.644 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000738360373 598299761 /nfs/dbraw/zinc/29/97/61/598299761.db2.gz WBLVSYLGKBGDQM-UHFFFAOYSA-N -1 3 391.218 3.644 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2ccccc2-c2ccccc2C1 ZINC000738359406 598299878 /nfs/dbraw/zinc/29/98/78/598299878.db2.gz QZFJMNNODRESQG-UHFFFAOYSA-N -1 3 384.399 3.962 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2ccccc2-c2ccccc2C1 ZINC000738359406 598299880 /nfs/dbraw/zinc/29/98/80/598299880.db2.gz QZFJMNNODRESQG-UHFFFAOYSA-N -1 3 384.399 3.962 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368017 598499413 /nfs/dbraw/zinc/49/94/13/598499413.db2.gz BTOYIQQWOIRDDD-QGZVFWFLSA-N -1 3 379.424 3.903 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368017 598499415 /nfs/dbraw/zinc/49/94/15/598499415.db2.gz BTOYIQQWOIRDDD-QGZVFWFLSA-N -1 3 379.424 3.903 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3ccc(F)cc3-c3nnn[n-]3)sc2c1 ZINC000738367011 598643616 /nfs/dbraw/zinc/64/36/16/598643616.db2.gz NEWCSNSKDRTVSN-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3ccc(F)cc3-c3nn[n-]n3)sc2c1 ZINC000738367011 598643618 /nfs/dbraw/zinc/64/36/18/598643618.db2.gz NEWCSNSKDRTVSN-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000736370404 598814073 /nfs/dbraw/zinc/81/40/73/598814073.db2.gz QVAUGEUINVKGOP-ZDUSSCGKSA-N -1 3 390.350 3.940 20 5 GHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000736370404 598814074 /nfs/dbraw/zinc/81/40/74/598814074.db2.gz QVAUGEUINVKGOP-ZDUSSCGKSA-N -1 3 390.350 3.940 20 5 GHBDHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736198427 598814653 /nfs/dbraw/zinc/81/46/53/598814653.db2.gz IIOUCWXVOOOSQG-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736198427 598814655 /nfs/dbraw/zinc/81/46/55/598814655.db2.gz IIOUCWXVOOOSQG-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ccc(F)cc43)cc(-c3nnn[n-]3)c2c1 ZINC000823646068 599544050 /nfs/dbraw/zinc/54/40/50/599544050.db2.gz ZLYCNCNROYOIKL-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ccc(F)cc43)cc(-c3nn[n-]n3)c2c1 ZINC000823646068 599544051 /nfs/dbraw/zinc/54/40/51/599544051.db2.gz ZLYCNCNROYOIKL-INIZCTEOSA-N -1 3 391.366 3.562 20 5 GHBDHM O=C([O-])N1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000739927091 599860731 /nfs/dbraw/zinc/86/07/31/599860731.db2.gz NDRALWFKODWJHH-LLVKDONJSA-N -1 3 379.800 3.740 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574819 604680650 /nfs/dbraw/zinc/68/06/50/604680650.db2.gz NZXRGWNFHHPPFV-WHOFXGATSA-N -1 3 383.242 3.575 20 5 GHBDHM C[C@H](c1ccncc1)N1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833552159 604929549 /nfs/dbraw/zinc/92/95/49/604929549.db2.gz WWJPJBWUOSOEBE-SJDLMVEWSA-N -1 3 396.447 3.725 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000823639912 606223827 /nfs/dbraw/zinc/22/38/27/606223827.db2.gz LSCLLWNNTAXFCY-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000823639912 606223829 /nfs/dbraw/zinc/22/38/29/606223829.db2.gz LSCLLWNNTAXFCY-UHFFFAOYSA-N -1 3 382.277 3.545 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820460744 606732920 /nfs/dbraw/zinc/73/29/20/606732920.db2.gz BCBWVKQLAFGWKU-CYBMUJFWSA-N -1 3 379.424 3.548 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820460744 606732922 /nfs/dbraw/zinc/73/29/22/606732922.db2.gz BCBWVKQLAFGWKU-CYBMUJFWSA-N -1 3 379.424 3.548 20 5 GHBDHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930022 608159222 /nfs/dbraw/zinc/15/92/22/608159222.db2.gz ZISDFZCGDXBUOI-UWVGGRQHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930022 608159223 /nfs/dbraw/zinc/15/92/23/608159223.db2.gz ZISDFZCGDXBUOI-UWVGGRQHSA-N -1 3 378.820 3.583 20 5 GHBDHM CCCCC[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825265932 608161055 /nfs/dbraw/zinc/16/10/55/608161055.db2.gz CRJBCPBDZMABOG-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCC[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825265932 608161057 /nfs/dbraw/zinc/16/10/57/608161057.db2.gz CRJBCPBDZMABOG-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2ccccc2)c[nH]1 ZINC000825148094 608540345 /nfs/dbraw/zinc/54/03/45/608540345.db2.gz OHDIBIGMZDZATP-OAHLLOKOSA-N -1 3 390.407 3.728 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(-c2ccccc2)c[nH]1 ZINC000825148094 608540347 /nfs/dbraw/zinc/54/03/47/608540347.db2.gz OHDIBIGMZDZATP-OAHLLOKOSA-N -1 3 390.407 3.728 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826263890 608829044 /nfs/dbraw/zinc/82/90/44/608829044.db2.gz VDAHTHAEWCXVER-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826263890 608829046 /nfs/dbraw/zinc/82/90/46/608829046.db2.gz VDAHTHAEWCXVER-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM CCc1c(C)sc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000825687696 609499665 /nfs/dbraw/zinc/49/96/65/609499665.db2.gz LVIWONIZPFMFFV-KTKRTIGZSA-N -1 3 398.448 3.749 20 5 GHBDHM CCc1c(C)sc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000825687696 609499667 /nfs/dbraw/zinc/49/96/67/609499667.db2.gz LVIWONIZPFMFFV-KTKRTIGZSA-N -1 3 398.448 3.749 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cs1 ZINC000120289879 835061382 /nfs/dbraw/zinc/06/13/82/835061382.db2.gz AEMRXLFIVQYIMA-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000472304594 835057383 /nfs/dbraw/zinc/05/73/83/835057383.db2.gz IQLQKVRBXAXGSS-UHFFFAOYSA-N -1 3 390.889 3.514 20 5 GHBDHM CC[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(C)c1 ZINC000414460426 838354881 /nfs/dbraw/zinc/35/48/81/838354881.db2.gz JJECSYNSZVFWGZ-CYBMUJFWSA-N -1 3 387.436 3.758 20 5 GHBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000125360676 841420260 /nfs/dbraw/zinc/42/02/60/841420260.db2.gz XUKXHWCEXCZCFA-UHFFFAOYSA-N -1 3 392.293 3.757 20 5 GHBDHM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000105803291 841793549 /nfs/dbraw/zinc/79/35/49/841793549.db2.gz LCXLKPZYFQEIEA-UHFFFAOYSA-N -1 3 386.882 3.627 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)c(Cl)c1 ZINC000604023785 861604051 /nfs/dbraw/zinc/60/40/51/861604051.db2.gz TXRSEKJWBBSIRW-UHFFFAOYSA-N -1 3 380.853 3.648 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)CC1 ZINC000604200124 861967783 /nfs/dbraw/zinc/96/77/83/861967783.db2.gz BWHKFVMTDRFWIN-LJQANCHMSA-N -1 3 383.448 3.503 20 5 GHBDHM Cc1ccnc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2C)c1 ZINC000440253905 850966492 /nfs/dbraw/zinc/96/64/92/850966492.db2.gz IHSLDDCIDSTVEM-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM Cc1ccc(OCCCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000604455719 862231969 /nfs/dbraw/zinc/23/19/69/862231969.db2.gz UILIYBUWTMLUKP-UHFFFAOYSA-N -1 3 380.404 3.513 20 5 GHBDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530395 862292758 /nfs/dbraw/zinc/29/27/58/862292758.db2.gz LYWSYLZVNQDLAP-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM Cc1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1Cc1cccc(C)c1 ZINC000516400972 852516241 /nfs/dbraw/zinc/51/62/41/852516241.db2.gz OEPCRLPDVLTNMQ-UHFFFAOYSA-N -1 3 384.417 3.612 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000482164694 862765669 /nfs/dbraw/zinc/76/56/69/862765669.db2.gz BHAJJAACSZOFBD-UHFFFAOYSA-N -1 3 387.244 3.869 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000173374814 856896730 /nfs/dbraw/zinc/89/67/30/856896730.db2.gz ZEUBKLFALVDZOR-CQSZACIVSA-N -1 3 389.886 3.617 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2coc(-c3ccccc3)n2)c(C)c([N+](=O)[O-])c1 ZINC000485953660 857266839 /nfs/dbraw/zinc/26/68/39/857266839.db2.gz SJRKFXFGQQFJCQ-UHFFFAOYSA-N -1 3 381.344 3.597 20 5 GHBDHM COc1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000175248484 857472587 /nfs/dbraw/zinc/47/25/87/857472587.db2.gz OWZVMQYXBWHHJR-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM CCOC(=O)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1C(F)(F)F ZINC001129122240 857663573 /nfs/dbraw/zinc/66/35/73/857663573.db2.gz LZNRYHKQZLOYDX-UHFFFAOYSA-N -1 3 395.340 3.561 20 5 GHBDHM Cc1cc(NC([O-])=C(C[C@@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129125 858729859 /nfs/dbraw/zinc/72/98/59/858729859.db2.gz QHYMNWWKGTZTDM-JSGCOSHPSA-N -1 3 397.353 3.559 20 5 GHBDHM O=c1[n-]ccc(N2CCC[C@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596216849 858817997 /nfs/dbraw/zinc/81/79/97/858817997.db2.gz NBYDYSFAQBPXSL-ZDUSSCGKSA-N -1 3 393.241 3.539 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230834 859146757 /nfs/dbraw/zinc/14/67/57/859146757.db2.gz KXXOMQSUYHVFOV-VQISRLSMSA-N -1 3 383.242 3.575 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000509398008 859312404 /nfs/dbraw/zinc/31/24/04/859312404.db2.gz YOAJYFLHNMMYEW-UHFFFAOYSA-N -1 3 390.339 3.753 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484791530 860351186 /nfs/dbraw/zinc/35/11/86/860351186.db2.gz WZGJHBHUSRCBGQ-NEPJUHHUSA-N -1 3 380.388 3.550 20 5 GHBDHM Cn1cnc([N-]C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000554226034 863940472 /nfs/dbraw/zinc/94/04/72/863940472.db2.gz IMUGFHSPIZJUED-UHFFFAOYSA-N -1 3 389.824 3.780 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000735995472 865080908 /nfs/dbraw/zinc/08/09/08/865080908.db2.gz LVMCTHVKCQQIFY-UHFFFAOYSA-N -1 3 393.739 3.570 20 5 GHBDHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CCCC2)n1 ZINC000480975341 865621615 /nfs/dbraw/zinc/62/16/15/865621615.db2.gz BZRLOYUKHXRRIX-UHFFFAOYSA-N -1 3 395.506 3.724 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1csc(-c2cccs2)n1 ZINC000523834692 868109653 /nfs/dbraw/zinc/10/96/53/868109653.db2.gz GDQRHDNICPNSGP-UHFFFAOYSA-N -1 3 397.441 3.844 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(C(F)(F)F)c1 ZINC000479967389 868811980 /nfs/dbraw/zinc/81/19/80/868811980.db2.gz OZPRNCTXWXDSOY-QPJJXVBHSA-N -1 3 386.351 3.605 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(Cl)cc2cccnc21 ZINC000524596199 869322154 /nfs/dbraw/zinc/32/21/54/869322154.db2.gz OKVMPFRRGDPSKG-UHFFFAOYSA-N -1 3 393.790 3.861 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000462657859 869832755 /nfs/dbraw/zinc/83/27/55/869832755.db2.gz ISNVILXLKDQPJV-VIFPVBQESA-N -1 3 390.795 3.608 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(F)c(Cl)cc1F ZINC000152902014 870363551 /nfs/dbraw/zinc/36/35/51/870363551.db2.gz GPCQGKSTNCNBKV-UHFFFAOYSA-N -1 3 384.722 3.940 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccc2)c(C(F)(F)F)c1 ZINC000446939873 870743423 /nfs/dbraw/zinc/74/34/23/870743423.db2.gz QJPNWOFNXYGAPT-UHFFFAOYSA-N -1 3 388.367 3.525 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(Cc3ccncc3)cc2)s1 ZINC000181419075 870986426 /nfs/dbraw/zinc/98/64/26/870986426.db2.gz DENQJFFNCBYJDS-UHFFFAOYSA-N -1 3 389.458 3.789 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cc(C(=O)OC(C)(C)C)ccn2)c1F ZINC000857746422 882513467 /nfs/dbraw/zinc/51/34/67/882513467.db2.gz JGPJDCNACLCPHF-UHFFFAOYSA-N -1 3 393.346 3.784 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC(C)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000619500694 872704245 /nfs/dbraw/zinc/70/42/45/872704245.db2.gz ZTVGHHJLROAFOP-UHFFFAOYSA-N -1 3 393.440 3.561 20 5 GHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000542491969 882836262 /nfs/dbraw/zinc/83/62/62/882836262.db2.gz IPSZOVFYIGTAJH-UHFFFAOYSA-N -1 3 395.824 3.551 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)nc2Br)c1 ZINC001199801471 875194541 /nfs/dbraw/zinc/19/45/41/875194541.db2.gz FCZCLYFDFMPNCU-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM CCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201223738 875587048 /nfs/dbraw/zinc/58/70/48/875587048.db2.gz FQLVZQUDZJRMPF-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000789902752 879349215 /nfs/dbraw/zinc/34/92/15/879349215.db2.gz IFAOWVWRPOFQDO-IBGZPJMESA-N -1 3 393.399 3.614 20 5 GHBDHM COc1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc([N+](=O)[O-])c1C ZINC000791821344 880716533 /nfs/dbraw/zinc/71/65/33/880716533.db2.gz UKZYBHIHKGXBRR-UHFFFAOYSA-N -1 3 395.371 3.602 20 5 GHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000792483289 881140423 /nfs/dbraw/zinc/14/04/23/881140423.db2.gz VRILHBFAQBZLKK-UHFFFAOYSA-N -1 3 399.313 3.857 20 5 GHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000792483289 881140428 /nfs/dbraw/zinc/14/04/28/881140428.db2.gz VRILHBFAQBZLKK-UHFFFAOYSA-N -1 3 399.313 3.857 20 5 GHBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1NC(=O)OC(C)(C)C ZINC000856372485 881184040 /nfs/dbraw/zinc/18/40/40/881184040.db2.gz LJIPCOKYNBHXBF-UHFFFAOYSA-N -1 3 388.380 3.603 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000609824652 883699190 /nfs/dbraw/zinc/69/91/90/883699190.db2.gz IUZRNQFTZYKRJA-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM COc1cc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc(Cl)c1[O-] ZINC000915054044 885569693 /nfs/dbraw/zinc/56/96/93/885569693.db2.gz CNOQHRWWSVBFIE-WAYWQWQTSA-N -1 3 399.790 3.828 20 5 GHBDHM COc1cc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1[O-] ZINC000532471669 885678829 /nfs/dbraw/zinc/67/88/29/885678829.db2.gz VEYDPEVATUQZOA-CQSZACIVSA-N -1 3 376.384 3.840 20 5 GHBDHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000195112467 886401486 /nfs/dbraw/zinc/40/14/86/886401486.db2.gz NGAQKERRGCHHDM-UHFFFAOYSA-N -1 3 387.436 3.840 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301101204 887702162 /nfs/dbraw/zinc/70/21/62/887702162.db2.gz LWQZFJWDMSDBBG-UHFFFAOYSA-N -1 3 375.450 3.834 20 5 GHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000763180477 888095453 /nfs/dbraw/zinc/09/54/53/888095453.db2.gz LDLPQPUCVZZGDP-UHFFFAOYSA-N -1 3 395.824 3.551 20 5 GHBDHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832257 890017983 /nfs/dbraw/zinc/01/79/83/890017983.db2.gz NXJQYUYIQQIQHN-UHFFFAOYSA-N -1 3 377.809 3.906 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nc(C)cs1 ZINC000123980025 891206816 /nfs/dbraw/zinc/20/68/16/891206816.db2.gz PWROQOUTNFRAEC-NSHDSACASA-N -1 3 389.886 3.751 20 5 GHBDHM CCOc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])cc1OC ZINC000813245202 891398646 /nfs/dbraw/zinc/39/86/46/891398646.db2.gz LJKWBKYEPRAQMY-UHFFFAOYSA-N -1 3 395.755 3.816 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000917608989 892309468 /nfs/dbraw/zinc/30/94/68/892309468.db2.gz JFTNDUXKIXLRNT-UHFFFAOYSA-N -1 3 395.272 3.586 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455672 897332044 /nfs/dbraw/zinc/33/20/44/897332044.db2.gz LBYZBNVZTPXPMP-SECBINFHSA-N -1 3 376.323 3.549 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455672 897332054 /nfs/dbraw/zinc/33/20/54/897332054.db2.gz LBYZBNVZTPXPMP-SECBINFHSA-N -1 3 376.323 3.549 20 5 GHBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569228615 898446599 /nfs/dbraw/zinc/44/65/99/898446599.db2.gz CXMTVPKJQVWKSO-GOSISDBHSA-N -1 3 394.349 3.842 20 5 GHBDHM C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000600798360 902932304 /nfs/dbraw/zinc/93/23/04/902932304.db2.gz ALNBZKCGHNBLCF-MAUKXSAKSA-N -1 3 383.448 3.905 20 5 GHBDHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578268913 903672667 /nfs/dbraw/zinc/67/26/67/903672667.db2.gz KDFJCLJWLINXDX-UHFFFAOYSA-N -1 3 385.395 3.602 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(Br)ccc2Cl)no1 ZINC001212935854 911769815 /nfs/dbraw/zinc/76/98/15/911769815.db2.gz QQGYIDNKYAPNPF-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CCc1cc(Br)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212937173 911786178 /nfs/dbraw/zinc/78/61/78/911786178.db2.gz RNKLNXKBWDMOKN-UHFFFAOYSA-N -1 3 391.181 3.737 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1Cl ZINC000795662580 912122289 /nfs/dbraw/zinc/12/22/89/912122289.db2.gz LHNIJVBPWJQVLQ-UHFFFAOYSA-N -1 3 389.216 3.637 20 5 GHBDHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001190465114 917361689 /nfs/dbraw/zinc/36/16/89/917361689.db2.gz IJOFXPIDOVQZGP-NSHDSACASA-N -1 3 391.287 3.771 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930880 920614481 /nfs/dbraw/zinc/61/44/81/920614481.db2.gz SVFSFHDFIKWDGN-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c1 ZINC000784373541 931873351 /nfs/dbraw/zinc/87/33/51/931873351.db2.gz ITNJATYCCGLTBA-UHFFFAOYSA-N -1 3 382.816 3.803 20 5 GHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784712687 931985801 /nfs/dbraw/zinc/98/58/01/931985801.db2.gz NQUCLJKZCVSYBN-UHFFFAOYSA-N -1 3 389.751 3.669 20 5 GHBDHM C[C@](Cc1ccc(F)cc1)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001592854904 979657699 /nfs/dbraw/zinc/65/76/99/979657699.db2.gz XRPUUDHRWMIVAP-HXUWFJFHSA-N -1 3 399.378 3.565 20 5 GHBDHM CCc1ccc([C@H]2CCN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)cc1 ZINC001597516970 988130294 /nfs/dbraw/zinc/13/02/94/988130294.db2.gz IXHGGQWTMFUKMJ-SFHVURJKSA-N -1 3 384.432 3.610 20 5 GHBDHM COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)N(C)C)c1 ZINC001599657112 994599230 /nfs/dbraw/zinc/59/92/30/994599230.db2.gz HQQZTEFCSOSBMS-HNNXBMFYSA-N -1 3 393.827 3.670 20 5 GHBDHM COc1cc(OC[C@@H]2CCC(C)(C)O2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645996 1032500588 /nfs/dbraw/zinc/50/05/88/1032500588.db2.gz MEQVWLNWUAAZOL-NSHDSACASA-N -1 3 386.400 3.702 20 5 GHBDHM O=[N+]([O-])c1cnc(OC2CC(c3ccc(Br)cc3)C2)c2[n-]cnc21 ZINC001227690121 1032517530 /nfs/dbraw/zinc/51/75/30/1032517530.db2.gz GERCUTBNEYHFEZ-UHFFFAOYSA-N -1 3 389.209 3.954 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C[C@H]21 ZINC001227744346 1032540006 /nfs/dbraw/zinc/54/00/06/1032540006.db2.gz GKRYAKHXQLCGPS-PVXIVEMSSA-N -1 3 388.424 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C[C@H]21 ZINC001227744346 1032540011 /nfs/dbraw/zinc/54/00/11/1032540011.db2.gz GKRYAKHXQLCGPS-PVXIVEMSSA-N -1 3 388.424 3.638 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228671233 1033035519 /nfs/dbraw/zinc/03/55/19/1033035519.db2.gz FQFDUMSDFWONBK-STQMWFEESA-N -1 3 390.440 3.946 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)nc2cc1[N+](=O)[O-] ZINC001228674555 1033036727 /nfs/dbraw/zinc/03/67/27/1033036727.db2.gz JTMOEOZWVSTLCB-MLGOLLRUSA-N -1 3 390.440 3.804 20 5 GHBDHM O=c1cc(C(F)(F)F)[n-]c(O[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228859057 1033141480 /nfs/dbraw/zinc/14/14/80/1033141480.db2.gz ICZMJARPBBXTBC-CYBMUJFWSA-N -1 3 397.353 3.758 20 5 GHBDHM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001228859057 1033141491 /nfs/dbraw/zinc/14/14/91/1033141491.db2.gz ICZMJARPBBXTBC-CYBMUJFWSA-N -1 3 397.353 3.758 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])s1 ZINC001209760258 1027155240 /nfs/dbraw/zinc/15/52/40/1027155240.db2.gz RBHMBVJRVDMXLV-VIFPVBQESA-N -1 3 383.476 3.614 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(I)c1 ZINC001210445927 1027514102 /nfs/dbraw/zinc/51/41/02/1027514102.db2.gz FFWLBWHKAURSIC-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM COC(=O)c1ncc(Cl)nc1[N-]c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215580707 1029291879 /nfs/dbraw/zinc/29/18/79/1029291879.db2.gz AFSKIRBJCROZSX-UHFFFAOYSA-N -1 3 377.571 3.875 20 5 GHBDHM O=C(Nc1ccccc1Nc1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152593085 1031291661 /nfs/dbraw/zinc/29/16/61/1031291661.db2.gz SPUUQSAGEASWDF-UHFFFAOYSA-N -1 3 386.314 3.970 20 5 GHBDHM COc1c([O-])ccc(CN[C@H](C)c2nc(C3CCCCC3)no2)c1[N+](=O)[O-] ZINC001205650082 1033512202 /nfs/dbraw/zinc/51/22/02/1033512202.db2.gz CRVOJCAUEZJAHM-LLVKDONJSA-N -1 3 376.413 3.591 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC001208392474 1034880886 /nfs/dbraw/zinc/88/08/86/1034880886.db2.gz XPOAWJBUWCPEGW-OAHLLOKOSA-N -1 3 388.367 3.794 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])s1 ZINC001208551565 1034931360 /nfs/dbraw/zinc/93/13/60/1034931360.db2.gz LBMOSNKNESVTAU-UHFFFAOYSA-N -1 3 384.454 3.852 20 5 GHBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001209682511 1035354386 /nfs/dbraw/zinc/35/43/86/1035354386.db2.gz JGXOYTDZCGLTCG-GHMZBOCLSA-N -1 3 398.428 3.566 20 5 GHBDHM CCOC(=O)[C@@H](C)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233497043 1039391125 /nfs/dbraw/zinc/39/11/25/1039391125.db2.gz DLXONGBDOCVOTD-UPONEAKYSA-N -1 3 395.721 3.633 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCC1 ZINC001309132007 1050389479 /nfs/dbraw/zinc/38/94/79/1050389479.db2.gz LKSQSZAUVLNLHO-UHFFFAOYSA-N -1 3 398.843 3.788 20 5 GHBDHM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309157605 1050411665 /nfs/dbraw/zinc/41/16/65/1050411665.db2.gz QHGCEGLZVIDKPZ-SECBINFHSA-N -1 3 394.396 3.585 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001309464344 1050739526 /nfs/dbraw/zinc/73/95/26/1050739526.db2.gz HQWNTDAHLSJJHS-OCCSQVGLSA-N -1 3 384.454 3.718 20 5 GHBDHM O=C(Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001458263457 1063704407 /nfs/dbraw/zinc/70/44/07/1063704407.db2.gz QVMDAJBQVOZLTP-UHFFFAOYSA-N -1 3 382.351 3.699 20 5 GHBDHM C[C@@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463471032 1064383378 /nfs/dbraw/zinc/38/33/78/1064383378.db2.gz KVKXWCAMFWCTDT-XIKOKIGWSA-N -1 3 378.425 3.726 20 5 GHBDHM CC(C)[C@@](C)(Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001464252388 1064927212 /nfs/dbraw/zinc/92/72/12/1064927212.db2.gz BAHRPVRESNQSSW-GOSISDBHSA-N -1 3 380.441 3.670 20 5 GHBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1c[n-]c3c(Cl)cccc3c1=O)CC2 ZINC001466411085 1066138965 /nfs/dbraw/zinc/13/89/65/1066138965.db2.gz ILUCOKQIJWHHNU-UHFFFAOYSA-N -1 3 383.791 3.601 20 5 GHBDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001475118766 1074744544 /nfs/dbraw/zinc/74/45/44/1074744544.db2.gz REIWQHRUANTTJB-UHFFFAOYSA-N -1 3 398.868 3.558 20 5 GHBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC001475179608 1074772237 /nfs/dbraw/zinc/77/22/37/1074772237.db2.gz KJQWUTUPCDHHDF-OUAUKWLOSA-N -1 3 380.388 3.717 20 5 GHBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C ZINC001475251082 1074805123 /nfs/dbraw/zinc/80/51/23/1074805123.db2.gz HONYWMPPERLCLN-UTUOFQBUSA-N -1 3 394.415 3.964 20 5 GHBDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC001475583054 1074920353 /nfs/dbraw/zinc/92/03/53/1074920353.db2.gz LEOOGFVSBFXOQA-UHFFFAOYSA-N -1 3 391.474 3.608 20 5 GHBDHM Cc1ccc(C[C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822234884 599563834 /nfs/dbraw/zinc/56/38/34/599563834.db2.gz KNQPWQSFWIRTTI-SNVBAGLBSA-N -1 3 395.448 3.736 20 5 GHBDHM Cc1ccc(C[C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822234884 599563836 /nfs/dbraw/zinc/56/38/36/599563836.db2.gz KNQPWQSFWIRTTI-SNVBAGLBSA-N -1 3 395.448 3.736 20 5 GHBDHM Cc1c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000738288928 599788747 /nfs/dbraw/zinc/78/87/47/599788747.db2.gz LJMNQWOEZJBAIF-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM Cc1cccc(C)c1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822293847 607038449 /nfs/dbraw/zinc/03/84/49/607038449.db2.gz OBBUQESYAODXLX-UHFFFAOYSA-N -1 3 375.392 3.552 20 5 GHBDHM Cc1cccc(C)c1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822293847 607038451 /nfs/dbraw/zinc/03/84/51/607038451.db2.gz OBBUQESYAODXLX-UHFFFAOYSA-N -1 3 375.392 3.552 20 5 GHBDHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824939899 608163224 /nfs/dbraw/zinc/16/32/24/608163224.db2.gz XWPXTJMGMIGQNW-UWVGGRQHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824939899 608163225 /nfs/dbraw/zinc/16/32/25/608163225.db2.gz XWPXTJMGMIGQNW-UWVGGRQHSA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@H]1C1CCCCC1 ZINC000826450313 608164143 /nfs/dbraw/zinc/16/41/43/608164143.db2.gz GIZJJCPOKSZAHZ-RYUDHWBXSA-N -1 3 390.831 3.583 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@H]1C1CCCCC1 ZINC000826450313 608164145 /nfs/dbraw/zinc/16/41/45/608164145.db2.gz GIZJJCPOKSZAHZ-RYUDHWBXSA-N -1 3 390.831 3.583 20 5 GHBDHM CC1(C)C(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(C)C ZINC001211621403 834743020 /nfs/dbraw/zinc/74/30/20/834743020.db2.gz BVRPJLWAILXFOH-UHFFFAOYSA-N -1 3 380.388 3.574 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccsc3)s2)cc([N+](=O)[O-])c1 ZINC000136151769 835271474 /nfs/dbraw/zinc/27/14/74/835271474.db2.gz KAFAXDNSJXMDNJ-UHFFFAOYSA-N -1 3 389.414 3.819 20 5 GHBDHM Cc1nccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1Cl ZINC000165277542 836036430 /nfs/dbraw/zinc/03/64/30/836036430.db2.gz DGQPOFPAALTUJB-UHFFFAOYSA-N -1 3 376.221 3.714 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000105796462 841790863 /nfs/dbraw/zinc/79/08/63/841790863.db2.gz DWQHVIPYRMKTJK-UHFFFAOYSA-N -1 3 393.852 3.572 20 5 GHBDHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000489798296 861247629 /nfs/dbraw/zinc/24/76/29/861247629.db2.gz FCPSKWYXGKSZBB-QGZVFWFLSA-N -1 3 380.853 3.986 20 5 GHBDHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604038876 861615608 /nfs/dbraw/zinc/61/56/08/861615608.db2.gz ZGMGXZSXFDWQCU-UHFFFAOYSA-N -1 3 398.868 3.653 20 5 GHBDHM COc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000015662010 846664838 /nfs/dbraw/zinc/66/48/38/846664838.db2.gz OLBNGWLTMLLSTO-YVLHZVERSA-N -1 3 390.351 3.674 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c1[N+](=O)[O-] ZINC000420732248 847392575 /nfs/dbraw/zinc/39/25/75/847392575.db2.gz GKQCRFSZHJNLSH-CQSZACIVSA-N -1 3 384.404 3.886 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F ZINC000504471942 850083924 /nfs/dbraw/zinc/08/39/24/850083924.db2.gz WQBCHIRVSUTSKB-UHFFFAOYSA-N -1 3 386.832 3.643 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)CC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000515554187 851166799 /nfs/dbraw/zinc/16/67/99/851166799.db2.gz UDOFHLBDNMPSDO-UHFFFAOYSA-N -1 3 389.477 3.859 20 5 GHBDHM Cc1c([N-]C(=O)c2nc3cccnc3s2)cc(Br)cc1[N+](=O)[O-] ZINC000514073127 851193161 /nfs/dbraw/zinc/19/31/61/851193161.db2.gz QQUCZLDNRWMKKY-UHFFFAOYSA-N -1 3 393.222 3.923 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)n1 ZINC000604572321 862312018 /nfs/dbraw/zinc/31/20/18/862312018.db2.gz PSZBNRMRAXDIEA-UHFFFAOYSA-N -1 3 390.355 3.652 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000436637358 852131778 /nfs/dbraw/zinc/13/17/78/852131778.db2.gz XWAXVJDESBMLGX-MRXNPFEDSA-N -1 3 389.477 3.565 20 5 GHBDHM O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485378416 856409274 /nfs/dbraw/zinc/40/92/74/856409274.db2.gz RYZCYUOUCFQHDE-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(NC3CCCC3)nc2)s1 ZINC000543031303 857967683 /nfs/dbraw/zinc/96/76/83/857967683.db2.gz ALMNEVNRWFAPDS-UHFFFAOYSA-N -1 3 382.467 3.553 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000521772754 858300672 /nfs/dbraw/zinc/30/06/72/858300672.db2.gz UAZHPTUTYSQZRX-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM Cc1ccc(OCc2ccccc2)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000443180274 858433251 /nfs/dbraw/zinc/43/32/51/858433251.db2.gz YJGCWEQZVWJNSL-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc2ccccc2o1 ZINC000483220161 859229624 /nfs/dbraw/zinc/22/96/24/859229624.db2.gz OEIKRJUPELLWEY-GFCCVEGCSA-N -1 3 376.372 3.895 20 5 GHBDHM Cc1cccc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000601688479 859459986 /nfs/dbraw/zinc/45/99/86/859459986.db2.gz LVVCHDVEXOFVJD-UHFFFAOYSA-N -1 3 382.270 3.661 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC001212187721 860839289 /nfs/dbraw/zinc/83/92/89/860839289.db2.gz DSGYJIYIKPDSMO-CQSZACIVSA-N -1 3 393.421 3.549 20 5 GHBDHM C[C@H]1C[C@H](c2ccc(Br)cc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599175585 860881673 /nfs/dbraw/zinc/88/16/73/860881673.db2.gz DRXASSGNBAEVLZ-JQWIXIFHSA-N -1 3 378.226 3.840 20 5 GHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000156999258 861027016 /nfs/dbraw/zinc/02/70/16/861027016.db2.gz SSBLISYVRDMIKE-UHFFFAOYSA-N -1 3 392.330 3.737 20 5 GHBDHM O=C(c1ccccc1)c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000480325626 864500261 /nfs/dbraw/zinc/50/02/61/864500261.db2.gz KOMLKZHUHGTRIW-UHFFFAOYSA-N -1 3 391.309 3.575 20 5 GHBDHM COc1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)c([N+](=O)[O-])cc1[O-] ZINC000181713693 871409620 /nfs/dbraw/zinc/40/96/20/871409620.db2.gz IZMQYZLKANVVJX-UHFFFAOYSA-N -1 3 390.783 3.548 20 5 GHBDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000763501090 871528029 /nfs/dbraw/zinc/52/80/29/871528029.db2.gz PAVNUYFBLRQBCS-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)ccc2I)c1 ZINC001199819522 875179918 /nfs/dbraw/zinc/17/99/18/875179918.db2.gz WKRHEQADADDVDA-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM COc1ccc(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)c(C(N)=O)s2)cc1 ZINC001199828472 875211418 /nfs/dbraw/zinc/21/14/18/875211418.db2.gz JHXVMIWOTBILIR-UHFFFAOYSA-N -1 3 385.401 3.880 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC4(CC4)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000450584604 876642579 /nfs/dbraw/zinc/64/25/79/876642579.db2.gz UQWVNFPFSZZFHK-UHFFFAOYSA-N -1 3 387.461 3.613 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(C3CCOCC3)cs2)c1F ZINC000854447561 879819075 /nfs/dbraw/zinc/81/90/75/879819075.db2.gz KLIFHZBHPCOXKD-UHFFFAOYSA-N -1 3 383.376 3.784 20 5 GHBDHM CN(C)c1cc(F)c(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000791222282 880265769 /nfs/dbraw/zinc/26/57/69/880265769.db2.gz RYJHNLRCMRBQFD-UHFFFAOYSA-N -1 3 398.188 3.520 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000609512038 883310780 /nfs/dbraw/zinc/31/07/80/883310780.db2.gz XCVKPGAUKVUSPA-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC001212107697 884889269 /nfs/dbraw/zinc/88/92/69/884889269.db2.gz GDPJFGVCLJKIBV-UHFFFAOYSA-N -1 3 398.843 3.689 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000495299445 885175653 /nfs/dbraw/zinc/17/56/53/885175653.db2.gz OXLQXIDRORWSBZ-UHFFFAOYSA-N -1 3 397.338 3.723 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc(O)c1 ZINC000809818740 887873065 /nfs/dbraw/zinc/87/30/65/887873065.db2.gz HNLYQWRTWORYCY-MRVPVSSYSA-N -1 3 391.232 3.647 20 5 GHBDHM COc1cc(CNc2cc([C@H](O)c3ccccn3)ccc2C)c([N+](=O)[O-])cc1[O-] ZINC000812845643 891034462 /nfs/dbraw/zinc/03/44/62/891034462.db2.gz JQKXNJBHHQLKFN-NRFANRHFSA-N -1 3 395.415 3.706 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1nccs1 ZINC000124243442 891327458 /nfs/dbraw/zinc/32/74/58/891327458.db2.gz FQYABSUMGIGVMY-CQSZACIVSA-N -1 3 389.886 3.617 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)c2)n1 ZINC000154299641 891518491 /nfs/dbraw/zinc/51/84/91/891518491.db2.gz HLPZSSLNIRJUEO-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)nc(=O)c2c1C ZINC000004828883 914112628 /nfs/dbraw/zinc/11/26/28/914112628.db2.gz BVJHJZGRWRLTMD-SNVBAGLBSA-N -1 3 387.417 3.736 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000800146707 898662856 /nfs/dbraw/zinc/66/28/56/898662856.db2.gz GKHVFRSOBSTAKS-SNVBAGLBSA-N -1 3 382.816 3.660 20 5 GHBDHM Cc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc(C)c1Br ZINC001212843818 903664815 /nfs/dbraw/zinc/66/48/15/903664815.db2.gz DHEQJZJCBRAUAI-UHFFFAOYSA-N -1 3 391.181 3.792 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190731285 906259928 /nfs/dbraw/zinc/25/99/28/906259928.db2.gz BDQXETKTDGUBCZ-UHFFFAOYSA-N -1 3 377.784 3.780 20 5 GHBDHM O=C(Nc1ccc2cc(Br)ccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001182919799 912101869 /nfs/dbraw/zinc/10/18/69/912101869.db2.gz QKEUIKHHAFKYOY-UHFFFAOYSA-N -1 3 388.177 3.863 20 5 GHBDHM CC(C)(C)c1ccnc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973151 916166215 /nfs/dbraw/zinc/16/62/15/916166215.db2.gz SMGOFLGYHLTDEF-UHFFFAOYSA-N -1 3 382.302 3.746 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001189382951 916578723 /nfs/dbraw/zinc/57/87/23/916578723.db2.gz AZCJWAYARZFEGC-LSDHHAIUSA-N -1 3 394.880 3.938 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000014660925 919336905 /nfs/dbraw/zinc/33/69/05/919336905.db2.gz PNMBEDHDXJJLPU-UHFFFAOYSA-N -1 3 385.243 3.804 20 5 GHBDHM CN(c1ccccc1)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1[N+](=O)[O-] ZINC000902555000 922279145 /nfs/dbraw/zinc/27/91/45/922279145.db2.gz YLLYCWBJVFWKOJ-QKLQHJQFSA-N -1 3 381.432 3.515 20 5 GHBDHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011599727 925248659 /nfs/dbraw/zinc/24/86/59/925248659.db2.gz APXMACNORKTNPE-UHFFFAOYSA-N -1 3 382.401 3.635 20 5 GHBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000467774980 929397946 /nfs/dbraw/zinc/39/79/46/929397946.db2.gz YTQJQWGBONBRLA-AWEZNQCLSA-N -1 3 376.406 3.610 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)cc1 ZINC000559565130 932734749 /nfs/dbraw/zinc/73/47/49/932734749.db2.gz ZNDQHMLCMYOCQO-UHFFFAOYSA-N -1 3 385.401 3.891 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001138017376 935929816 /nfs/dbraw/zinc/92/98/16/935929816.db2.gz IKQXANQNTYEZCC-CHWSQXEVSA-N -1 3 377.194 3.805 20 5 GHBDHM CC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001573363253 947710722 /nfs/dbraw/zinc/71/07/22/947710722.db2.gz NBVSSSGKGXLJCI-VMPITWQZSA-N -1 3 390.812 3.532 20 5 GHBDHM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001573363253 947710733 /nfs/dbraw/zinc/71/07/33/947710733.db2.gz NBVSSSGKGXLJCI-VMPITWQZSA-N -1 3 390.812 3.532 20 5 GHBDHM CC1CCN(c2cccc(Nc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])c2)CC1 ZINC001576214589 950677764 /nfs/dbraw/zinc/67/77/64/950677764.db2.gz QLOOBNGSUXEBDD-UHFFFAOYSA-N -1 3 379.424 3.755 20 5 GHBDHM CC1CCN(c2cccc(Nc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])c2)CC1 ZINC001576214589 950677775 /nfs/dbraw/zinc/67/77/75/950677775.db2.gz QLOOBNGSUXEBDD-UHFFFAOYSA-N -1 3 379.424 3.755 20 5 GHBDHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000901984005 980664540 /nfs/dbraw/zinc/66/45/40/980664540.db2.gz XRCOQXNMYBUCNX-LBPRGKRZSA-N -1 3 396.852 3.900 20 5 GHBDHM CC[C@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595364154 980790746 /nfs/dbraw/zinc/79/07/46/980790746.db2.gz PMFSKZIGWBIUNE-LJQANCHMSA-N -1 3 383.448 3.562 20 5 GHBDHM CCOc1cc(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC001597035395 986470891 /nfs/dbraw/zinc/47/08/91/986470891.db2.gz JYADIKDLUHAWRN-QKKBWIMNSA-N -1 3 384.432 3.961 20 5 GHBDHM CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598525342 992712752 /nfs/dbraw/zinc/71/27/52/992712752.db2.gz BRPHBKYWNZYGOB-HNNXBMFYSA-N -1 3 379.210 3.615 20 5 GHBDHM C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593223374 994338838 /nfs/dbraw/zinc/33/88/38/994338838.db2.gz NXZRHXAVYBYKMC-SCRDCRAPSA-N -1 3 375.450 3.812 20 5 GHBDHM COc1cc(O[C@@H](C)CC(C)(C)OC)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227642391 1032498945 /nfs/dbraw/zinc/49/89/45/1032498945.db2.gz YQKVVSGWZTYRTE-NSHDSACASA-N -1 3 388.416 3.948 20 5 GHBDHM CCN1CCC[C@H](Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227701792 1032522954 /nfs/dbraw/zinc/52/29/54/1032522954.db2.gz JISUMWNIMZMFOH-KRWDZBQOSA-N -1 3 384.432 3.703 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@H](F)C1 ZINC001227741592 1032538057 /nfs/dbraw/zinc/53/80/57/1032538057.db2.gz OUIHZCOXVVGMEC-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@H](F)C1 ZINC001227741592 1032538062 /nfs/dbraw/zinc/53/80/62/1032538062.db2.gz OUIHZCOXVVGMEC-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@@H](F)CC1 ZINC001227742389 1032539443 /nfs/dbraw/zinc/53/94/43/1032539443.db2.gz YTPFZBXFFRAWSY-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@@H](F)CC1 ZINC001227742389 1032539454 /nfs/dbraw/zinc/53/94/54/1032539454.db2.gz YTPFZBXFFRAWSY-SWLSCSKDSA-N -1 3 394.403 3.588 20 5 GHBDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989674 1032824156 /nfs/dbraw/zinc/82/41/56/1032824156.db2.gz BCTJWKGPIUDJHI-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989674 1032824164 /nfs/dbraw/zinc/82/41/64/1032824164.db2.gz BCTJWKGPIUDJHI-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc([O-])c(F)c3)CC2)c(C(F)(F)F)c1 ZINC001204783160 1033088452 /nfs/dbraw/zinc/08/84/52/1033088452.db2.gz AZRWDBAFMXUSOT-UHFFFAOYSA-N -1 3 399.344 3.781 20 5 GHBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-][C@H](c2ccccc2OC)C(F)(F)F)n1 ZINC001162902730 1025960393 /nfs/dbraw/zinc/96/03/93/1025960393.db2.gz OZLWQHFCRWNJKK-CYBMUJFWSA-N -1 3 385.298 3.501 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001211274195 1027880092 /nfs/dbraw/zinc/88/00/92/1027880092.db2.gz XMCMSGRPAFCSNY-VOJFVSQTSA-N -1 3 378.425 3.644 20 5 GHBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001142063412 1027998223 /nfs/dbraw/zinc/99/82/23/1027998223.db2.gz RDGRUBFVUPEBNY-UHFFFAOYSA-N -1 3 379.760 3.553 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497709 1039391288 /nfs/dbraw/zinc/39/12/88/1039391288.db2.gz HJFTWRRAZOVMAL-SECBINFHSA-N -1 3 382.804 3.513 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])s1 ZINC001462972031 1070700166 /nfs/dbraw/zinc/70/01/66/1070700166.db2.gz AAXHENWVPDENKO-UHFFFAOYSA-N -1 3 384.454 3.504 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)cc1C ZINC001320497012 1055842139 /nfs/dbraw/zinc/84/21/39/1055842139.db2.gz QEOYUOOWTPLSOC-UHFFFAOYSA-N -1 3 389.477 3.608 20 5 GHBDHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001440656075 1058561634 /nfs/dbraw/zinc/56/16/34/1058561634.db2.gz DZSGBRPFBOTFOL-UHFFFAOYSA-N -1 3 395.215 3.985 20 5 GHBDHM CCCCOC(=O)c1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001349012950 1063499483 /nfs/dbraw/zinc/49/94/83/1063499483.db2.gz JYCGYETXVBTHPZ-UHFFFAOYSA-N -1 3 383.360 3.647 20 5 GHBDHM O=c1[n-]c(S/C=C/c2ccc([N+](=O)[O-])o2)nc2c1cnn2Cc1ccccc1 ZINC001459179673 1064015698 /nfs/dbraw/zinc/01/56/98/1064015698.db2.gz NODPVWIXTXCYLG-CMDGGOBGSA-N -1 3 395.400 3.844 20 5 GHBDHM CC1(C)C[C@]1(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001464147964 1064859644 /nfs/dbraw/zinc/85/96/44/1064859644.db2.gz KFGPKMCKOCTHOA-SFHVURJKSA-N -1 3 394.880 3.894 20 5 GHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001474855859 1074595102 /nfs/dbraw/zinc/59/51/02/1074595102.db2.gz DUYJOJVDHOEKMO-NSHDSACASA-N -1 3 388.367 3.962 20 5 GHBDHM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001475098430 1074736029 /nfs/dbraw/zinc/73/60/29/1074736029.db2.gz KCIZKFKLIKMVQR-CYBMUJFWSA-N -1 3 396.440 3.698 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2ccccc2s1 ZINC001475202129 1074782652 /nfs/dbraw/zinc/78/26/52/1074782652.db2.gz VZPPWEFEQMYSCH-SNVBAGLBSA-N -1 3 380.422 3.988 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(C(C)(C)c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001475296561 1074825846 /nfs/dbraw/zinc/82/58/46/1074825846.db2.gz MMACWVXZPMDBBN-UHFFFAOYSA-N -1 3 380.491 3.753 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CC2CCC1CC2 ZINC001475425473 1074869845 /nfs/dbraw/zinc/86/98/45/1074869845.db2.gz VIJOQKZJCAAEEQ-MCIGGMRASA-N -1 3 392.399 3.718 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000736136804 598855262 /nfs/dbraw/zinc/85/52/62/598855262.db2.gz HNQSKXXXHHZIQI-LLVKDONJSA-N -1 3 377.364 3.603 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000736136804 598855264 /nfs/dbraw/zinc/85/52/64/598855264.db2.gz HNQSKXXXHHZIQI-LLVKDONJSA-N -1 3 377.364 3.603 20 5 GHBDHM CCC[C@]1(C)CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821028086 599110437 /nfs/dbraw/zinc/11/04/37/599110437.db2.gz UCGOEFSSQWNLNW-LJQANCHMSA-N -1 3 381.440 3.730 20 5 GHBDHM CCC[C@]1(C)CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821028086 599110438 /nfs/dbraw/zinc/11/04/38/599110438.db2.gz UCGOEFSSQWNLNW-LJQANCHMSA-N -1 3 381.440 3.730 20 5 GHBDHM O=[N+]([O-])c1ncccc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823651177 599112575 /nfs/dbraw/zinc/11/25/75/599112575.db2.gz HYPYAOVPKXKWSB-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM O=[N+]([O-])c1ncccc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823651177 599112578 /nfs/dbraw/zinc/11/25/78/599112578.db2.gz HYPYAOVPKXKWSB-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM CCc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000736693188 599254561 /nfs/dbraw/zinc/25/45/61/599254561.db2.gz YSKLKXHIGHXJNE-UHFFFAOYSA-N -1 3 389.419 3.522 20 5 GHBDHM CCc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000736693188 599254562 /nfs/dbraw/zinc/25/45/62/599254562.db2.gz YSKLKXHIGHXJNE-UHFFFAOYSA-N -1 3 389.419 3.522 20 5 GHBDHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736056031 598245485 /nfs/dbraw/zinc/24/54/85/598245485.db2.gz KWZJOVMMSGYAHU-MRVPVSSYSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736056031 598245487 /nfs/dbraw/zinc/24/54/87/598245487.db2.gz KWZJOVMMSGYAHU-MRVPVSSYSA-N -1 3 394.222 3.520 20 5 GHBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736027043 598298411 /nfs/dbraw/zinc/29/84/11/598298411.db2.gz VWPULTWZLSZWRY-QMMMGPOBSA-N -1 3 394.222 3.692 20 5 GHBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736027043 598298412 /nfs/dbraw/zinc/29/84/12/598298412.db2.gz VWPULTWZLSZWRY-QMMMGPOBSA-N -1 3 394.222 3.692 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140399 599323508 /nfs/dbraw/zinc/32/35/08/599323508.db2.gz VNMGGSKGWMBOKP-VIFPVBQESA-N -1 3 376.323 3.549 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140399 599323509 /nfs/dbraw/zinc/32/35/09/599323509.db2.gz VNMGGSKGWMBOKP-VIFPVBQESA-N -1 3 376.323 3.549 20 5 GHBDHM CN(c1ccccc1)c1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000737505596 599859648 /nfs/dbraw/zinc/85/96/48/599859648.db2.gz ALJXPDIIOGNOEJ-MRXNPFEDSA-N -1 3 384.436 3.595 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823643808 607460801 /nfs/dbraw/zinc/46/08/01/607460801.db2.gz BRVRULHQISTVAX-VZUCSPMQSA-N -1 3 386.730 3.792 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823643808 607460802 /nfs/dbraw/zinc/46/08/02/607460802.db2.gz BRVRULHQISTVAX-VZUCSPMQSA-N -1 3 386.730 3.792 20 5 GHBDHM O=C([O-])NC[C@@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000832512330 603172844 /nfs/dbraw/zinc/17/28/44/603172844.db2.gz CYFLHVRKGZFYMW-XJKSGUPXSA-N -1 3 390.465 3.634 20 5 GHBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000820154934 606983623 /nfs/dbraw/zinc/98/36/23/606983623.db2.gz DHOSBWFRSWTBQB-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000820154934 606983625 /nfs/dbraw/zinc/98/36/25/606983625.db2.gz DHOSBWFRSWTBQB-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000822193020 607142326 /nfs/dbraw/zinc/14/23/26/607142326.db2.gz IOHKUAWPZWMWSI-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000822193020 607142327 /nfs/dbraw/zinc/14/23/27/607142327.db2.gz IOHKUAWPZWMWSI-UHFFFAOYSA-N -1 3 376.829 3.732 20 5 GHBDHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930024 608159176 /nfs/dbraw/zinc/15/91/76/608159176.db2.gz ZISDFZCGDXBUOI-ZJUUUORDSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930024 608159177 /nfs/dbraw/zinc/15/91/77/608159177.db2.gz ZISDFZCGDXBUOI-ZJUUUORDSA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(CCCC1CCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406215 608161463 /nfs/dbraw/zinc/16/14/63/608161463.db2.gz MVRHUSIROAJTGS-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM O=C(CCCC1CCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406215 608161464 /nfs/dbraw/zinc/16/14/64/608161464.db2.gz MVRHUSIROAJTGS-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825341352 609597774 /nfs/dbraw/zinc/59/77/74/609597774.db2.gz AMUVTEVBXDBADI-UHFFFAOYSA-N -1 3 398.448 3.838 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825341352 609597776 /nfs/dbraw/zinc/59/77/76/609597776.db2.gz AMUVTEVBXDBADI-UHFFFAOYSA-N -1 3 398.448 3.838 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000106685416 841067272 /nfs/dbraw/zinc/06/72/72/841067272.db2.gz YHJIWABUYVKJGB-UHFFFAOYSA-N -1 3 383.433 3.728 20 5 GHBDHM COc1ccc(-c2ccc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)o2)c([N+](=O)[O-])c1 ZINC000600181721 861201460 /nfs/dbraw/zinc/20/14/60/861201460.db2.gz XUJRMXDUBOJELY-UHFFFAOYSA-N -1 3 398.419 3.692 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000509762472 843972319 /nfs/dbraw/zinc/97/23/19/843972319.db2.gz PWTVHKWBTPIUIV-LLVKDONJSA-N -1 3 388.367 3.962 20 5 GHBDHM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000604021649 861599375 /nfs/dbraw/zinc/59/93/75/861599375.db2.gz HUPMZIQCUQVNGA-UHFFFAOYSA-N -1 3 386.882 3.627 20 5 GHBDHM COc1ccccc1C[C@H](C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000502968531 846671983 /nfs/dbraw/zinc/67/19/83/846671983.db2.gz HRYDMMNZACUZAD-AWEZNQCLSA-N -1 3 394.431 3.623 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c1C ZINC000420739169 847418655 /nfs/dbraw/zinc/41/86/55/847418655.db2.gz OZLQNATZKLGVSD-AWEZNQCLSA-N -1 3 384.404 3.886 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccccc2)ns1 ZINC000439838905 850468617 /nfs/dbraw/zinc/46/86/17/850468617.db2.gz DWJMZWSNBWBYSD-UHFFFAOYSA-N -1 3 392.400 3.756 20 5 GHBDHM CC1CCN([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000505798650 851514000 /nfs/dbraw/zinc/51/40/00/851514000.db2.gz FNXBOZNVHBPVLJ-FQEVSTJZSA-N -1 3 383.448 3.503 20 5 GHBDHM O=C([O-])c1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000426706938 852311867 /nfs/dbraw/zinc/31/18/67/852311867.db2.gz YLVQYFGGFZERDH-UHFFFAOYSA-N -1 3 383.429 3.749 20 5 GHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000426808567 852419593 /nfs/dbraw/zinc/41/95/93/852419593.db2.gz SCJCRAUDRYTMQN-KRWDZBQOSA-N -1 3 382.372 3.766 20 5 GHBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473856390 852917819 /nfs/dbraw/zinc/91/78/19/852917819.db2.gz KZFPVEFCYCGOED-SFHVURJKSA-N -1 3 393.403 3.587 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c([O-])c1 ZINC000490791601 853265600 /nfs/dbraw/zinc/26/56/00/853265600.db2.gz IKKLRILLNUOQDP-UHFFFAOYSA-N -1 3 398.293 3.748 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(-n2cccc2)c(F)c1 ZINC000520569269 855676141 /nfs/dbraw/zinc/67/61/41/855676141.db2.gz BOQVLSKCBWVBGH-UHFFFAOYSA-N -1 3 391.362 3.589 20 5 GHBDHM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000521374762 857928270 /nfs/dbraw/zinc/92/82/70/857928270.db2.gz BBPKHFXUHFSFBP-UHFFFAOYSA-N -1 3 398.868 3.729 20 5 GHBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000594775914 858278303 /nfs/dbraw/zinc/27/83/03/858278303.db2.gz LLINEDBRZULLMQ-LBPRGKRZSA-N -1 3 399.419 3.637 20 5 GHBDHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000115591394 858579403 /nfs/dbraw/zinc/57/94/03/858579403.db2.gz UUAOFYUBSYVZPB-GOSISDBHSA-N -1 3 397.456 3.561 20 5 GHBDHM O=C([O-])CC[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000596023399 858763227 /nfs/dbraw/zinc/76/32/27/858763227.db2.gz XSVKDYUHPXCGSW-GFCCVEGCSA-N -1 3 386.326 3.988 20 5 GHBDHM Cc1ccc(NC(=O)c2ccc(NCc3cnc(C)[n-]c3=O)c([N+](=O)[O-])c2)cc1 ZINC000543190425 858799464 /nfs/dbraw/zinc/79/94/64/858799464.db2.gz RWXKQOIGCPIIGG-UHFFFAOYSA-N -1 3 393.403 3.572 20 5 GHBDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000484797941 860356365 /nfs/dbraw/zinc/35/63/65/860356365.db2.gz UQIDXFLDAJPIBK-JQWIXIFHSA-N -1 3 378.903 3.591 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444636489 866968619 /nfs/dbraw/zinc/96/86/19/866968619.db2.gz DMARRGPVOBIDKF-UHFFFAOYSA-N -1 3 380.407 3.746 20 5 GHBDHM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444825272 867270509 /nfs/dbraw/zinc/27/05/09/867270509.db2.gz BTKYHVKRKRJHEC-UHFFFAOYSA-N -1 3 390.808 3.648 20 5 GHBDHM CC(C)(C)n1cc(Br)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000857571625 882349421 /nfs/dbraw/zinc/34/94/21/882349421.db2.gz KGBYDSYUMAFKPO-UHFFFAOYSA-N -1 3 385.193 3.700 20 5 GHBDHM CC(C)Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001192866509 870708883 /nfs/dbraw/zinc/70/88/83/870708883.db2.gz PQVQULVUYFEFSK-UHFFFAOYSA-N -1 3 382.869 3.925 20 5 GHBDHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618374417 871540192 /nfs/dbraw/zinc/54/01/92/871540192.db2.gz MHGWMKWQLUACAU-UHFFFAOYSA-N -1 3 377.225 3.602 20 5 GHBDHM CCOC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC001199818518 875180355 /nfs/dbraw/zinc/18/03/55/875180355.db2.gz CANGXCKDDWWDRI-UHFFFAOYSA-N -1 3 386.339 3.546 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000029940347 875692082 /nfs/dbraw/zinc/69/20/82/875692082.db2.gz NJCXDUCJQPLMJZ-AWEZNQCLSA-N -1 3 384.841 3.686 20 5 GHBDHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786140896 876469224 /nfs/dbraw/zinc/46/92/24/876469224.db2.gz SCOGSYCHYMFZMP-SNVBAGLBSA-N -1 3 386.385 3.699 20 5 GHBDHM O=C([O-])[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000617338791 879609138 /nfs/dbraw/zinc/60/91/38/879609138.db2.gz FOBOEDZPVSWBQC-INIZCTEOSA-N -1 3 397.456 3.751 20 5 GHBDHM Cc1c(C(=O)[N-]c2nnc(CCC(C)C)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855189072 880336062 /nfs/dbraw/zinc/33/60/62/880336062.db2.gz BOCHVXBIIOBXLP-UHFFFAOYSA-N -1 3 393.425 3.812 20 5 GHBDHM Cc1ccc(-c2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C)s1 ZINC000193548434 883341771 /nfs/dbraw/zinc/34/17/71/883341771.db2.gz SHQPTABZDWWVSQ-UHFFFAOYSA-N -1 3 376.419 3.750 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3F)nc(=O)c2c1C ZINC000919251765 885177234 /nfs/dbraw/zinc/17/72/34/885177234.db2.gz VQTVWHUEUMNRFN-QMMMGPOBSA-N -1 3 391.380 3.979 20 5 GHBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861840941 885917605 /nfs/dbraw/zinc/91/76/05/885917605.db2.gz NGFBHVHTXRQNBQ-UHFFFAOYSA-N -1 3 384.417 3.746 20 5 GHBDHM Cc1c(NC(=O)NCc2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-] ZINC000152434646 886349533 /nfs/dbraw/zinc/34/95/33/886349533.db2.gz KSPXJQAYTSZPSO-UHFFFAOYSA-N -1 3 380.198 3.693 20 5 GHBDHM O=C([N-]c1cccc2nonc21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000808799338 886797271 /nfs/dbraw/zinc/79/72/71/886797271.db2.gz PAEBKCYRLYMYRY-UHFFFAOYSA-N -1 3 390.355 3.962 20 5 GHBDHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000917900444 892765946 /nfs/dbraw/zinc/76/59/46/892765946.db2.gz KDPYIXMNDJUKNM-SNVBAGLBSA-N -1 3 389.260 3.811 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC001185214732 913732831 /nfs/dbraw/zinc/73/28/31/913732831.db2.gz MYBSLVDMLDSDCC-ZDUSSCGKSA-N -1 3 380.853 3.647 20 5 GHBDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000820213928 897212244 /nfs/dbraw/zinc/21/22/44/897212244.db2.gz SOKGAQHIKPWNRN-UHFFFAOYSA-N -1 3 395.419 3.665 20 5 GHBDHM Cc1c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(F)ccc1[N+](=O)[O-] ZINC000800051813 898538930 /nfs/dbraw/zinc/53/89/30/898538930.db2.gz SQWSZVCUWRSFDH-UHFFFAOYSA-N -1 3 380.397 3.682 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc4occc43)no2)c1Br ZINC001212837436 903527681 /nfs/dbraw/zinc/52/76/81/903527681.db2.gz LDBVRTKSHHRTAD-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc4occc43)no2)c1Br ZINC001212837436 903527693 /nfs/dbraw/zinc/52/76/93/903527693.db2.gz LDBVRTKSHHRTAD-UHFFFAOYSA-N -1 3 376.126 3.544 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(Cl)c(Br)c3)no2)cc1[N+](=O)[O-] ZINC001212844430 903698251 /nfs/dbraw/zinc/69/82/51/903698251.db2.gz SXNAVPGZAZNGEG-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3cc(Br)ccc3Cl)no2)cc1[N+](=O)[O-] ZINC001212844492 903727466 /nfs/dbraw/zinc/72/74/66/903727466.db2.gz WYTVELVDOQBHTA-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC001187129921 915044690 /nfs/dbraw/zinc/04/46/90/915044690.db2.gz PHKRQJBKBQZJRQ-OAHLLOKOSA-N -1 3 384.404 3.919 20 5 GHBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC001189145105 916427906 /nfs/dbraw/zinc/42/79/06/916427906.db2.gz DYPVQLJCVSGSPT-UHFFFAOYSA-N -1 3 398.868 3.824 20 5 GHBDHM CC(C)c1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC001189507598 916689691 /nfs/dbraw/zinc/68/96/91/916689691.db2.gz JRWGDVIAJCMBCD-QGZVFWFLSA-N -1 3 378.425 3.823 20 5 GHBDHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000364028961 919074080 /nfs/dbraw/zinc/07/40/80/919074080.db2.gz WAWMUDCIWQSIOV-UHFFFAOYSA-N -1 3 386.418 3.612 20 5 GHBDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C(C)C ZINC000800928927 920612476 /nfs/dbraw/zinc/61/24/76/920612476.db2.gz ZOFAVAOWRZQOGC-UHFFFAOYSA-N -1 3 382.413 3.975 20 5 GHBDHM CCc1cc2c(CN3CCc4c(cccc4[N+](=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000757168149 929669258 /nfs/dbraw/zinc/66/92/58/929669258.db2.gz XDHVZZBXLSTGPM-UHFFFAOYSA-N -1 3 380.400 3.528 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000557511606 931481406 /nfs/dbraw/zinc/48/14/06/931481406.db2.gz LISKHTYJCMPURR-UHFFFAOYSA-N -1 3 393.802 3.948 20 5 GHBDHM C[C@@H](COc1ccc(C(C)(C)C)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575180036 952414436 /nfs/dbraw/zinc/41/44/36/952414436.db2.gz XBNWLUJKURPHFA-ZDUSSCGKSA-N -1 3 396.451 3.952 20 5 GHBDHM C[C@@H](COc1ccc(C(C)(C)C)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575180036 952414437 /nfs/dbraw/zinc/41/44/37/952414437.db2.gz XBNWLUJKURPHFA-ZDUSSCGKSA-N -1 3 396.451 3.952 20 5 GHBDHM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC001595885747 982908387 /nfs/dbraw/zinc/90/83/87/982908387.db2.gz DVICSVOXTVUUBO-HNNXBMFYSA-N -1 3 399.447 3.922 20 5 GHBDHM C[C@](NCc1cccc(-c2ccccn2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304954 994756768 /nfs/dbraw/zinc/75/67/68/994756768.db2.gz UPUZLUGKVJMEFH-OAQYLSRUSA-N -1 3 377.400 3.746 20 5 GHBDHM C[C@](NCc1cccc(OCC(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593305601 994764431 /nfs/dbraw/zinc/76/44/31/994764431.db2.gz YAKYEOYGDLPQDP-QGZVFWFLSA-N -1 3 398.337 3.626 20 5 GHBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCOc3ccc(Br)cc32)c2[n-]cnc21 ZINC001227693865 1032519379 /nfs/dbraw/zinc/51/93/79/1032519379.db2.gz YQQJPNPZLWEHCJ-GFCCVEGCSA-N -1 3 391.181 3.531 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227742387 1032539361 /nfs/dbraw/zinc/53/93/61/1032539361.db2.gz YTPFZBXFFRAWSY-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227742387 1032539371 /nfs/dbraw/zinc/53/93/71/1032539371.db2.gz YTPFZBXFFRAWSY-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228670670 1033035661 /nfs/dbraw/zinc/03/56/61/1033035661.db2.gz ALRUSGSNUWSFHS-ZDUSSCGKSA-N -1 3 390.440 3.948 20 5 GHBDHM Cc1[n-]c(=O)cc(OC(COc2ccccc2)COc2ccccc2)c1[N+](=O)[O-] ZINC001228686484 1033044657 /nfs/dbraw/zinc/04/46/57/1033044657.db2.gz NAVOJILPTFYGOH-UHFFFAOYSA-N -1 3 396.399 3.909 20 5 GHBDHM O=C([O-])C[C@@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000756379232 1023620670 /nfs/dbraw/zinc/62/06/70/1023620670.db2.gz LIVWLDUDDAITMQ-MRXNPFEDSA-N -1 3 397.456 3.894 20 5 GHBDHM O=C(Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001162216312 1025672106 /nfs/dbraw/zinc/67/21/06/1025672106.db2.gz PLWHHXCTXLKCFM-UHFFFAOYSA-N -1 3 382.351 3.699 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2cnc(Cl)cn2)c([N+](=O)[O-])cc1OCCC ZINC000839226768 1025741172 /nfs/dbraw/zinc/74/11/72/1025741172.db2.gz HOPZXBUPJHHLHI-UHFFFAOYSA-N -1 3 394.815 3.868 20 5 GHBDHM CCOC(=O)c1ccnc([N-][C@@H](c2ccccc2OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001162902776 1025960603 /nfs/dbraw/zinc/96/06/03/1025960603.db2.gz QGYXPHGPARQMOP-AWEZNQCLSA-N -1 3 399.325 3.891 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC001210312144 1027443237 /nfs/dbraw/zinc/44/32/37/1027443237.db2.gz VAGRBDWGIYVUSH-CHWSQXEVSA-N -1 3 392.399 3.861 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H](C)C2C[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218198373 1030820763 /nfs/dbraw/zinc/82/07/63/1030820763.db2.gz ITZKPYGKZROUSU-ZDUSSCGKSA-N -1 3 395.455 3.853 20 5 GHBDHM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665339 1031530513 /nfs/dbraw/zinc/53/05/13/1031530513.db2.gz XUNOFTQDXRXPIV-OAHLLOKOSA-N -1 3 387.392 3.566 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(O[C@H](C)C4CC4)c(OC)c3oc-2c1 ZINC001234758839 1040287521 /nfs/dbraw/zinc/28/75/21/1040287521.db2.gz WBHWDOBZSZGLOU-SNVBAGLBSA-N -1 3 386.400 3.855 20 5 GHBDHM COc1cc([O-])c2c(c1)oc1c(cc(OC)c(O[C@H](C)C3CC3)c1OC)c2=O ZINC001234758839 1040287533 /nfs/dbraw/zinc/28/75/33/1040287533.db2.gz WBHWDOBZSZGLOU-SNVBAGLBSA-N -1 3 386.400 3.855 20 5 GHBDHM COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001309278928 1050549767 /nfs/dbraw/zinc/54/97/67/1050549767.db2.gz PGHBBRDYOLVCNL-MRXNPFEDSA-N -1 3 392.477 3.978 20 5 GHBDHM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001309309818 1050580477 /nfs/dbraw/zinc/58/04/77/1050580477.db2.gz RXBOFMFNFADJMW-HNNXBMFYSA-N -1 3 392.477 3.867 20 5 GHBDHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309560707 1050814254 /nfs/dbraw/zinc/81/42/54/1050814254.db2.gz IWARRCFORSPPKJ-IINYFYTJSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309714876 1050935404 /nfs/dbraw/zinc/93/54/04/1050935404.db2.gz JNJXLQIQFKYPAH-INIZCTEOSA-N -1 3 378.425 3.707 20 5 GHBDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)nc2c1 ZINC001309766546 1050963286 /nfs/dbraw/zinc/96/32/86/1050963286.db2.gz BQBVXRXNZOGBNX-UHFFFAOYSA-N -1 3 391.474 3.608 20 5 GHBDHM Cc1cc(F)ccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001475659482 1074994653 /nfs/dbraw/zinc/99/46/53/1074994653.db2.gz NBIWGTDVOSKPSG-VIFPVBQESA-N -1 3 390.795 3.874 20 5 GHBDHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000820196746 599043415 /nfs/dbraw/zinc/04/34/15/599043415.db2.gz BSAYHZZOIHNDOC-CYBMUJFWSA-N -1 3 399.480 3.739 20 5 GHBDHM CC(C)c1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000820196746 599043418 /nfs/dbraw/zinc/04/34/18/599043418.db2.gz BSAYHZZOIHNDOC-CYBMUJFWSA-N -1 3 399.480 3.739 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000736369938 598814302 /nfs/dbraw/zinc/81/43/02/598814302.db2.gz PAZFNXDZOWZZDH-LBPRGKRZSA-N -1 3 390.350 3.940 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000736369938 598814304 /nfs/dbraw/zinc/81/43/04/598814304.db2.gz PAZFNXDZOWZZDH-LBPRGKRZSA-N -1 3 390.350 3.940 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)cs1 ZINC000822419763 599447994 /nfs/dbraw/zinc/44/79/94/599447994.db2.gz UQBFURBUDMFYFQ-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)cs1 ZINC000822419763 599447996 /nfs/dbraw/zinc/44/79/96/599447996.db2.gz UQBFURBUDMFYFQ-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820925332 599688455 /nfs/dbraw/zinc/68/84/55/599688455.db2.gz GUUTVRLGXCWSAY-MRVPVSSYSA-N -1 3 399.358 3.813 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820925332 599688456 /nfs/dbraw/zinc/68/84/56/599688456.db2.gz GUUTVRLGXCWSAY-MRVPVSSYSA-N -1 3 399.358 3.813 20 5 GHBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1nc2ccccc2c2ccccc12 ZINC000823111980 606145545 /nfs/dbraw/zinc/14/55/45/606145545.db2.gz PYKFOPYWGSOUJQ-UHFFFAOYSA-N -1 3 395.422 3.854 20 5 GHBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1nc2ccccc2c2ccccc12 ZINC000823111980 606145546 /nfs/dbraw/zinc/14/55/46/606145546.db2.gz PYKFOPYWGSOUJQ-UHFFFAOYSA-N -1 3 395.422 3.854 20 5 GHBDHM CC(=O)c1ccc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2c1 ZINC000819832995 606402390 /nfs/dbraw/zinc/40/23/90/606402390.db2.gz DXRAQPCTMBOSAA-UHFFFAOYSA-N -1 3 375.344 3.923 20 5 GHBDHM CC(=O)c1ccc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2c1 ZINC000819832995 606402392 /nfs/dbraw/zinc/40/23/92/606402392.db2.gz DXRAQPCTMBOSAA-UHFFFAOYSA-N -1 3 375.344 3.923 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N(Cc3cccs3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644121 606450825 /nfs/dbraw/zinc/45/08/25/606450825.db2.gz FZCZCQNIUOHYNC-UHFFFAOYSA-N -1 3 393.432 3.554 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N(Cc3cccs3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644121 606450827 /nfs/dbraw/zinc/45/08/27/606450827.db2.gz FZCZCQNIUOHYNC-UHFFFAOYSA-N -1 3 393.432 3.554 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000820456297 606644461 /nfs/dbraw/zinc/64/44/61/606644461.db2.gz RQJALJONKXVYQW-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000825149490 608540764 /nfs/dbraw/zinc/54/07/64/608540764.db2.gz YTDIAPPCQBOCNA-AWEZNQCLSA-N -1 3 390.407 3.728 20 5 GHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000825149490 608540765 /nfs/dbraw/zinc/54/07/65/608540765.db2.gz YTDIAPPCQBOCNA-AWEZNQCLSA-N -1 3 390.407 3.728 20 5 GHBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000134216220 839434781 /nfs/dbraw/zinc/43/47/81/839434781.db2.gz WEMBRBNSKZWXPY-UHFFFAOYSA-N -1 3 392.293 3.757 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000549255741 839626127 /nfs/dbraw/zinc/62/61/27/839626127.db2.gz URQAKVLGCFSVIC-GJZGRUSLSA-N -1 3 382.807 3.802 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000119917429 839980756 /nfs/dbraw/zinc/98/07/56/839980756.db2.gz BRFXNGFULXXVEG-GFCCVEGCSA-N -1 3 389.458 3.758 20 5 GHBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1[O-] ZINC000125964311 842370149 /nfs/dbraw/zinc/37/01/49/842370149.db2.gz BEQSZVMQONFWQC-UHFFFAOYSA-N -1 3 383.223 3.794 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487371365 842468855 /nfs/dbraw/zinc/46/88/55/842468855.db2.gz VSAJUBPRLNQPGK-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1CCCC1 ZINC000731781694 861888883 /nfs/dbraw/zinc/88/88/83/861888883.db2.gz CVZWAJCPFDBIMD-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM CCN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000550075165 851397147 /nfs/dbraw/zinc/39/71/47/851397147.db2.gz PUZJYDYAMMCOQE-LPHOPBHVSA-N -1 3 395.381 3.643 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c(Cl)c1 ZINC000515755052 851435315 /nfs/dbraw/zinc/43/53/15/851435315.db2.gz IKEWBFQRMCEFGK-UHFFFAOYSA-N -1 3 386.882 3.667 20 5 GHBDHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150718006 852240411 /nfs/dbraw/zinc/24/04/11/852240411.db2.gz PSBHYZBWQLNICA-UHFFFAOYSA-N -1 3 399.388 3.663 20 5 GHBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436965561 852537148 /nfs/dbraw/zinc/53/71/48/852537148.db2.gz KTXOAOGMFWHLST-MAUKXSAKSA-N -1 3 383.448 3.598 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000489745743 852567185 /nfs/dbraw/zinc/56/71/85/852567185.db2.gz OAHJOBBUSBXVFM-UHFFFAOYSA-N -1 3 395.371 3.906 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000151491469 857231139 /nfs/dbraw/zinc/23/11/39/857231139.db2.gz SAIABOUHDKKKMH-CQSZACIVSA-N -1 3 389.886 3.617 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000485999262 857306044 /nfs/dbraw/zinc/30/60/44/857306044.db2.gz CBKOHHBZRFEFMG-AWEZNQCLSA-N -1 3 392.330 3.624 20 5 GHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000175103049 857441752 /nfs/dbraw/zinc/44/17/52/857441752.db2.gz AZIIOQMSAHSHRA-UHFFFAOYSA-N -1 3 386.257 3.792 20 5 GHBDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486124320 857452878 /nfs/dbraw/zinc/45/28/78/857452878.db2.gz JPTLXXIDFUQWDZ-ONEGZZNKSA-N -1 3 385.298 3.519 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000114054232 857871043 /nfs/dbraw/zinc/87/10/43/857871043.db2.gz QECYXUYAVHNNIZ-UHFFFAOYSA-N -1 3 397.884 3.727 20 5 GHBDHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000509619277 858815359 /nfs/dbraw/zinc/81/53/59/858815359.db2.gz NPDRXOQPGTURSC-HNNXBMFYSA-N -1 3 378.450 3.732 20 5 GHBDHM CC(C)(C)OC(=O)C(C)(C)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000596446613 858910894 /nfs/dbraw/zinc/91/08/94/858910894.db2.gz HSJXPXAWGZZHNE-UHFFFAOYSA-N -1 3 381.820 3.660 20 5 GHBDHM COc1ccc(CCCCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000522351829 859140733 /nfs/dbraw/zinc/14/07/33/859140733.db2.gz CRBRHHYMRIUVGV-UHFFFAOYSA-N -1 3 394.431 3.767 20 5 GHBDHM COc1cc(CNCc2cc(F)ccc2Br)c([N+](=O)[O-])cc1[O-] ZINC000237298916 859426503 /nfs/dbraw/zinc/42/65/03/859426503.db2.gz FRCIJAXVNYLMGM-UHFFFAOYSA-N -1 3 385.189 3.500 20 5 GHBDHM COc1cc(CNCc2cccc(C(=O)OC(C)(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000611443094 859763211 /nfs/dbraw/zinc/76/32/11/859763211.db2.gz MPOUFLHAWTWAHA-UHFFFAOYSA-N -1 3 388.420 3.554 20 5 GHBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000484797940 860356542 /nfs/dbraw/zinc/35/65/42/860356542.db2.gz UQIDXFLDAJPIBK-CMPLNLGQSA-N -1 3 378.903 3.591 20 5 GHBDHM O=c1[n-]ccc(N2CC[C@H](Sc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000599126136 860807113 /nfs/dbraw/zinc/80/71/13/860807113.db2.gz NGKSZBQMURZSSJ-LBPRGKRZSA-N -1 3 396.266 3.829 20 5 GHBDHM CCOC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445244862 868068187 /nfs/dbraw/zinc/06/81/87/868068187.db2.gz ANRKHWVYFPPGRU-UHFFFAOYSA-N -1 3 399.222 3.848 20 5 GHBDHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000535542539 868963164 /nfs/dbraw/zinc/96/31/64/868963164.db2.gz MODSPANLAONBKO-NSHDSACASA-N -1 3 390.417 3.596 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000921197961 882663881 /nfs/dbraw/zinc/66/38/81/882663881.db2.gz ANUNTHCGVMVYJO-UHFFFAOYSA-N -1 3 385.361 3.582 20 5 GHBDHM CCOC(=O)Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201224325 875586430 /nfs/dbraw/zinc/58/64/30/875586430.db2.gz MGSXUMBKQQZHIS-UHFFFAOYSA-N -1 3 395.209 3.912 20 5 GHBDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000788216999 877923434 /nfs/dbraw/zinc/92/34/34/877923434.db2.gz RCWTWRXHVYUOHH-UHFFFAOYSA-N -1 3 389.216 3.905 20 5 GHBDHM O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000789902753 879349714 /nfs/dbraw/zinc/34/97/14/879349714.db2.gz IFAOWVWRPOFQDO-LJQANCHMSA-N -1 3 393.399 3.614 20 5 GHBDHM O=C([N-]C[C@@H](OC1CCCC1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855391027 880494963 /nfs/dbraw/zinc/49/49/63/880494963.db2.gz GWFVXOLXJGIKLQ-CYBMUJFWSA-N -1 3 396.312 3.693 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)n1 ZINC000154785941 884114018 /nfs/dbraw/zinc/11/40/18/884114018.db2.gz YYWGRNXVUAQYGS-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM O=C([N-]c1nccc2cc([N+](=O)[O-])ccc21)c1noc(-c2cccc(F)c2)n1 ZINC001183835792 912839980 /nfs/dbraw/zinc/83/99/80/912839980.db2.gz LSVMROGTNQCHHU-UHFFFAOYSA-N -1 3 379.307 3.584 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4c(c3)CCC4)cs2)n1 ZINC000191466626 885057260 /nfs/dbraw/zinc/05/72/60/885057260.db2.gz IVOQLXOZNQQQKZ-UHFFFAOYSA-N -1 3 383.433 3.676 20 5 GHBDHM O=C([N-][C@@H](CCO)c1ccc(Cl)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000807844813 885775000 /nfs/dbraw/zinc/77/50/00/885775000.db2.gz RDIKVZSYRRHCQP-HNNXBMFYSA-N -1 3 384.766 3.580 20 5 GHBDHM COc1cccc(Cc2nnc([N-]C(=O)c3c(C)cccc3[N+](=O)[O-])s2)c1 ZINC000194618071 893500512 /nfs/dbraw/zinc/50/05/12/893500512.db2.gz NZKZKJJSGJQTOX-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)c(Cl)c2F)n1 ZINC001135047178 893885453 /nfs/dbraw/zinc/88/54/53/893885453.db2.gz BUIHFEAMHXPEGS-UHFFFAOYSA-N -1 3 391.584 3.619 20 5 GHBDHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001185448705 913910457 /nfs/dbraw/zinc/91/04/57/913910457.db2.gz OVKZYBDGHMMCOT-AWEZNQCLSA-N -1 3 382.413 3.627 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000569156442 898374747 /nfs/dbraw/zinc/37/47/47/898374747.db2.gz WPPZWHAMGYUTMG-HNNXBMFYSA-N -1 3 385.468 3.846 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc(F)c(Cl)c3)no2)c1Br ZINC001212837363 903524846 /nfs/dbraw/zinc/52/48/46/903524846.db2.gz HQXZEXGFJXMMSN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc(F)c(Cl)c3)no2)c1Br ZINC001212837363 903524859 /nfs/dbraw/zinc/52/48/59/903524859.db2.gz HQXZEXGFJXMMSN-UHFFFAOYSA-N -1 3 388.540 3.590 20 5 GHBDHM Cc1cnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000266217661 909036886 /nfs/dbraw/zinc/03/68/86/909036886.db2.gz PPAFNMPKOYSRSN-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM COc1c([O-])ccc(CN2Cc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC001180623634 910252777 /nfs/dbraw/zinc/25/27/77/910252777.db2.gz QVNIQPOXBZLJNJ-UHFFFAOYSA-N -1 3 379.210 3.587 20 5 GHBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000773988337 911236022 /nfs/dbraw/zinc/23/60/22/911236022.db2.gz JTHBJAAZOUPRGQ-UHFFFAOYSA-N -1 3 381.373 3.815 20 5 GHBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001189321590 916552950 /nfs/dbraw/zinc/55/29/50/916552950.db2.gz RCUCHVCIWCQKEB-WDEREUQCSA-N -1 3 391.287 3.604 20 5 GHBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c2cccnc12 ZINC000800930272 920616102 /nfs/dbraw/zinc/61/61/02/920616102.db2.gz IUGAKUWNWKAOMW-UHFFFAOYSA-N -1 3 393.808 3.606 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000561049788 933819052 /nfs/dbraw/zinc/81/90/52/933819052.db2.gz ZBHRKUGRWTWSIQ-SFHVURJKSA-N -1 3 396.365 3.811 20 5 GHBDHM C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593223371 994338853 /nfs/dbraw/zinc/33/88/53/994338853.db2.gz NXZRHXAVYBYKMC-OUCADQQQSA-N -1 3 375.450 3.812 20 5 GHBDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267386 999036925 /nfs/dbraw/zinc/03/69/25/999036925.db2.gz XGUREBFJCLTFHN-XJKSGUPXSA-N -1 3 388.395 3.575 20 5 GHBDHM O=[N+]([O-])c1ccccc1[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227616402 1032486941 /nfs/dbraw/zinc/48/69/41/1032486941.db2.gz PCPFYVOJJDUKCX-OAHLLOKOSA-N -1 3 379.401 3.718 20 5 GHBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744650 1032539980 /nfs/dbraw/zinc/53/99/80/1032539980.db2.gz HKBSBHMZGAEQDA-IMRBUKKESA-N -1 3 388.424 3.780 20 5 GHBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)C2 ZINC001227744650 1032539986 /nfs/dbraw/zinc/53/99/86/1032539986.db2.gz HKBSBHMZGAEQDA-IMRBUKKESA-N -1 3 388.424 3.780 20 5 GHBDHM CCOC(=O)c1ncc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)[n-]1 ZINC001155992002 1032826198 /nfs/dbraw/zinc/82/61/98/1032826198.db2.gz YJOZZUYNVPJQCD-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM CCOC(=O)c1nc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)c[n-]1 ZINC001155992002 1032826210 /nfs/dbraw/zinc/82/62/10/1032826210.db2.gz YJOZZUYNVPJQCD-UHFFFAOYSA-N -1 3 393.428 3.549 20 5 GHBDHM CCc1cc2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000795220416 1020991751 /nfs/dbraw/zinc/99/17/51/1020991751.db2.gz MEOSERCLDWOOMP-UHFFFAOYSA-N -1 3 382.416 3.994 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228672251 1033037504 /nfs/dbraw/zinc/03/75/04/1033037504.db2.gz RKEIGUYWSDUJLQ-VXGBXAGGSA-N -1 3 376.413 3.556 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000755690177 1023337245 /nfs/dbraw/zinc/33/72/45/1023337245.db2.gz FGHSNODFSWKDDT-GFCCVEGCSA-N -1 3 397.362 3.914 20 5 GHBDHM COc1cc(CNc2ccc(-n3nnc4ccccc43)cc2)c([N+](=O)[O-])cc1[O-] ZINC001203770093 1027593883 /nfs/dbraw/zinc/59/38/83/1027593883.db2.gz CPQHTBMORJWALU-UHFFFAOYSA-N -1 3 391.387 3.655 20 5 GHBDHM COC(=O)c1cc(Cl)cc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1[O-] ZINC001211297895 1027897716 /nfs/dbraw/zinc/89/77/16/1027897716.db2.gz GRFUSZMPUYDCPU-UHFFFAOYSA-N -1 3 381.728 3.701 20 5 GHBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001293024371 1043990873 /nfs/dbraw/zinc/99/08/73/1043990873.db2.gz ZJUZHFWPAVPNBR-UHFFFAOYSA-N -1 3 394.383 3.902 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc(C(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001462828228 1070578116 /nfs/dbraw/zinc/57/81/16/1070578116.db2.gz AMRWAZZNELQDPN-UHFFFAOYSA-N -1 3 396.440 3.523 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC001463326138 1070988759 /nfs/dbraw/zinc/98/87/59/1070988759.db2.gz XHMFEWKHINLZQD-UHFFFAOYSA-N -1 3 388.767 3.554 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCC(C)(C)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309091909 1050343967 /nfs/dbraw/zinc/34/39/67/1050343967.db2.gz UTEGGNCPJIWTLK-UHFFFAOYSA-N -1 3 380.441 3.689 20 5 GHBDHM CC(C)[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309383582 1050662728 /nfs/dbraw/zinc/66/27/28/1050662728.db2.gz AOYJVWBCTHYGCL-DNVCBOLYSA-N -1 3 392.452 3.972 20 5 GHBDHM O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1c(F)cccc1[N+](=O)[O-] ZINC001458504209 1063852700 /nfs/dbraw/zinc/85/27/00/1063852700.db2.gz RMVKNLYFKOQSTN-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1F ZINC001459744517 1064197389 /nfs/dbraw/zinc/19/73/89/1064197389.db2.gz DKTVUOVBQRZXLZ-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])s1 ZINC001475215218 1074789308 /nfs/dbraw/zinc/78/93/08/1074789308.db2.gz UUQGDNBWAFVVCD-VIFPVBQESA-N -1 3 383.476 3.614 20 5 GHBDHM O=[N+]([O-])c1cnc(NCc2ccc(Oc3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373689 598246102 /nfs/dbraw/zinc/24/61/02/598246102.db2.gz FRKQHEYRVBFDHU-UHFFFAOYSA-N -1 3 389.375 3.574 20 5 GHBDHM O=[N+]([O-])c1cnc(NCc2ccc(Oc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373689 598246104 /nfs/dbraw/zinc/24/61/04/598246104.db2.gz FRKQHEYRVBFDHU-UHFFFAOYSA-N -1 3 389.375 3.574 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736964305 599443298 /nfs/dbraw/zinc/44/32/98/599443298.db2.gz WVTMKAFOGUBULL-MGPLVRAMSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736964305 599443299 /nfs/dbraw/zinc/44/32/99/599443299.db2.gz WVTMKAFOGUBULL-MGPLVRAMSA-N -1 3 388.815 3.616 20 5 GHBDHM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820298862 599489869 /nfs/dbraw/zinc/48/98/69/599489869.db2.gz BPZMJLKUBSRIEN-NSHDSACASA-N -1 3 393.382 3.505 20 5 GHBDHM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820298862 599489871 /nfs/dbraw/zinc/48/98/71/599489871.db2.gz BPZMJLKUBSRIEN-NSHDSACASA-N -1 3 393.382 3.505 20 5 GHBDHM O=C([O-])[C@H](NCCNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000833165799 600734062 /nfs/dbraw/zinc/73/40/62/600734062.db2.gz LUQYMDNZUMUEMT-OAHLLOKOSA-N -1 3 384.219 3.729 20 5 GHBDHM O=C([O-])NC[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000834224218 605572348 /nfs/dbraw/zinc/57/23/48/605572348.db2.gz HQTDUDRGVRMWAN-LLVKDONJSA-N -1 3 379.800 3.598 20 5 GHBDHM O=C([O-])N1CCC([C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 ZINC000834073145 605983984 /nfs/dbraw/zinc/98/39/84/605983984.db2.gz FWKFRWJKZOOSHR-IBGZPJMESA-N -1 3 387.411 3.955 20 5 GHBDHM Cc1cc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000822191688 606430794 /nfs/dbraw/zinc/43/07/94/606430794.db2.gz OFHMMPWQTPIFMB-NSHDSACASA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1cc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000822191688 606430796 /nfs/dbraw/zinc/43/07/96/606430796.db2.gz OFHMMPWQTPIFMB-NSHDSACASA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000822270978 607046224 /nfs/dbraw/zinc/04/62/24/607046224.db2.gz GSGRBWQFDTWHBD-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000822270978 607046225 /nfs/dbraw/zinc/04/62/25/607046225.db2.gz GSGRBWQFDTWHBD-UHFFFAOYSA-N -1 3 376.170 3.638 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052427563 834629435 /nfs/dbraw/zinc/62/94/35/834629435.db2.gz YDPFIZBYHTXCMB-UHFFFAOYSA-N -1 3 375.812 3.809 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431621991 835312529 /nfs/dbraw/zinc/31/25/29/835312529.db2.gz DKYOZHJCCYDLPE-YEORSEQZSA-N -1 3 384.816 3.612 20 5 GHBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(Br)c(F)cc2F)c1[N+](=O)[O-] ZINC000190244152 840390864 /nfs/dbraw/zinc/39/08/64/840390864.db2.gz SYCUDMCMEDNNIC-UHFFFAOYSA-N -1 3 389.156 3.563 20 5 GHBDHM CCSc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000432127232 840783992 /nfs/dbraw/zinc/78/39/92/840783992.db2.gz RTJYIJYQDJXZHK-UHFFFAOYSA-N -1 3 389.256 3.573 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(C(F)(F)F)c1 ZINC000434775904 849755694 /nfs/dbraw/zinc/75/56/94/849755694.db2.gz OTPZHDXTDRZFBL-UHFFFAOYSA-N -1 3 378.372 3.615 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467404096 851877063 /nfs/dbraw/zinc/87/70/63/851877063.db2.gz JGKVJQFUQVUKID-UHFFFAOYSA-N -1 3 386.433 3.848 20 5 GHBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438296409 852213897 /nfs/dbraw/zinc/21/38/97/852213897.db2.gz DIFJPDCMOAXUFX-UHFFFAOYSA-N -1 3 376.294 3.678 20 5 GHBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)s2)c1 ZINC000489413334 852313582 /nfs/dbraw/zinc/31/35/82/852313582.db2.gz YZNKUTHFQQADFM-UHFFFAOYSA-N -1 3 398.400 3.711 20 5 GHBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)nc1 ZINC000436943216 852524734 /nfs/dbraw/zinc/52/47/34/852524734.db2.gz JHQMPKRSPCNQGP-UHFFFAOYSA-N -1 3 388.383 3.927 20 5 GHBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163367871 862386354 /nfs/dbraw/zinc/38/63/54/862386354.db2.gz IDVUDVHJQBLMGZ-ONGXEEELSA-N -1 3 398.428 3.566 20 5 GHBDHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000507512530 852992945 /nfs/dbraw/zinc/99/29/45/852992945.db2.gz UFOODGJKKAXJGJ-GFCCVEGCSA-N -1 3 396.490 3.755 20 5 GHBDHM O=C1[N-]C(=O)/C(=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000171880283 862913011 /nfs/dbraw/zinc/91/30/11/862913011.db2.gz FOCXWCUDFIWLEY-CXUHLZMHSA-N -1 3 377.381 3.529 20 5 GHBDHM Cc1noc([N-]C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000466632641 862944620 /nfs/dbraw/zinc/94/46/20/862944620.db2.gz AUSRBURFVRWSCQ-UHFFFAOYSA-N -1 3 390.808 3.765 20 5 GHBDHM CC1(C)CN(CC2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c2cc(C3CC3)ccc21 ZINC000574704199 858170278 /nfs/dbraw/zinc/17/02/78/858170278.db2.gz KXKANTTWCOTFGL-UHFFFAOYSA-N -1 3 394.475 3.807 20 5 GHBDHM CCOc1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cc1[N+](=O)[O-] ZINC000112596217 859252596 /nfs/dbraw/zinc/25/25/96/859252596.db2.gz XQXOLLPLKWFSDZ-UHFFFAOYSA-N -1 3 388.380 3.903 20 5 GHBDHM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000124354353 860337762 /nfs/dbraw/zinc/33/77/62/860337762.db2.gz JHEJZAQWHOTGMC-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000484796335 860355470 /nfs/dbraw/zinc/35/54/70/860355470.db2.gz MLRQWXHPGAFCNM-VXGBXAGGSA-N -1 3 380.388 3.550 20 5 GHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000735790712 864995617 /nfs/dbraw/zinc/99/56/17/864995617.db2.gz BAEVDYUTCQSKNR-UHFFFAOYSA-N -1 3 376.712 3.560 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000555276410 865835068 /nfs/dbraw/zinc/83/50/68/865835068.db2.gz MOEKTIIFHYIZPR-UHFFFAOYSA-N -1 3 380.404 3.675 20 5 GHBDHM CCOc1cc([N-]C(=O)c2sc(COC)nc2C)c([N+](=O)[O-])cc1OCC ZINC000534759338 867465123 /nfs/dbraw/zinc/46/51/23/867465123.db2.gz IJCKSANPEZBKRW-UHFFFAOYSA-N -1 3 395.437 3.556 20 5 GHBDHM CCn1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc2ccccc21 ZINC000523548875 867511436 /nfs/dbraw/zinc/51/14/36/867511436.db2.gz PADVBZDNZLCFQH-UHFFFAOYSA-N -1 3 375.388 3.634 20 5 GHBDHM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445173110 867921642 /nfs/dbraw/zinc/92/16/42/867921642.db2.gz NCMOCALYFOUVOJ-UHFFFAOYSA-N -1 3 383.335 3.666 20 5 GHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000446226242 869570130 /nfs/dbraw/zinc/57/01/30/869570130.db2.gz LJPWABXPTLLUJY-UHFFFAOYSA-N -1 3 399.628 3.955 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)ccc1[N+](=O)[O-] ZINC000447274364 871341051 /nfs/dbraw/zinc/34/10/51/871341051.db2.gz LDIYTFMIXWTVMD-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM CCOc1cc([N-]C(=O)c2ccc(C(C)=O)s2)c([N+](=O)[O-])cc1OCC ZINC000619212898 872449168 /nfs/dbraw/zinc/44/91/68/872449168.db2.gz ZWGAOMDTGJMGIM-UHFFFAOYSA-N -1 3 378.406 3.909 20 5 GHBDHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000921205419 882718186 /nfs/dbraw/zinc/71/81/86/882718186.db2.gz SQXMJHNCNUZRAF-UHFFFAOYSA-N -1 3 395.412 3.519 20 5 GHBDHM CCOC(=O)c1cnn(-c2ccccc2F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818943 875179988 /nfs/dbraw/zinc/17/99/88/875179988.db2.gz IDDFNNWLZABYAH-UHFFFAOYSA-N -1 3 386.339 3.546 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Br)cc2OC(F)F)c1 ZINC001199814681 875197109 /nfs/dbraw/zinc/19/71/09/875197109.db2.gz NAXZAGDEXGSDJG-UHFFFAOYSA-N -1 3 376.113 3.803 20 5 GHBDHM COC(=O)c1ncc(Cc2ccc(F)cc2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828269 875211291 /nfs/dbraw/zinc/21/12/91/875211291.db2.gz FBTAXZRUSFUDGT-UHFFFAOYSA-N -1 3 397.362 3.956 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1ccc(F)c(Cl)c1 ZINC000108678707 876502911 /nfs/dbraw/zinc/50/29/11/876502911.db2.gz GKJVVJDBMAHEJP-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000610006696 877279757 /nfs/dbraw/zinc/27/97/57/877279757.db2.gz ZWHCCLFWJDRIQD-HNNXBMFYSA-N -1 3 384.404 3.919 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)sc1Cl ZINC000788901255 878437063 /nfs/dbraw/zinc/43/70/63/878437063.db2.gz ODJJQQDVOIWXOH-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000530887806 878729894 /nfs/dbraw/zinc/72/98/94/878729894.db2.gz GAOGOZNGBDTSFK-UHFFFAOYSA-N -1 3 398.400 3.840 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000538424695 879497169 /nfs/dbraw/zinc/49/71/69/879497169.db2.gz QGHWOOWZCIYOGK-UHFFFAOYSA-N -1 3 395.209 3.779 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C(C)(C)[C@H]21 ZINC000858840726 883393052 /nfs/dbraw/zinc/39/30/52/883393052.db2.gz CQKDQWAUMKWJFP-DFBGVHRSSA-N -1 3 392.456 3.531 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000609802727 883664208 /nfs/dbraw/zinc/66/42/08/883664208.db2.gz LRFKYLONBUUHKR-SECBINFHSA-N -1 3 375.233 3.941 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1OC1CCC1 ZINC000609826386 883699920 /nfs/dbraw/zinc/69/99/20/883699920.db2.gz RKAFCSBRZRFRFI-UHFFFAOYSA-N -1 3 378.388 3.590 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000609287326 884502832 /nfs/dbraw/zinc/50/28/32/884502832.db2.gz AYSNCRHDPRUJFE-UHFFFAOYSA-N -1 3 392.820 3.987 20 5 GHBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153359164 884786527 /nfs/dbraw/zinc/78/65/27/884786527.db2.gz XLQBKRFMUVEJHG-UHFFFAOYSA-N -1 3 392.293 3.757 20 5 GHBDHM CCOC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191613999 885404051 /nfs/dbraw/zinc/40/40/51/885404051.db2.gz SJPQQFYEEIPSSJ-UHFFFAOYSA-N -1 3 394.453 3.599 20 5 GHBDHM Cc1ccc(CNC(=O)c2cccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])c2)cc1 ZINC001184873927 913503939 /nfs/dbraw/zinc/50/39/39/913503939.db2.gz KAWFQMJIPIDYPK-UHFFFAOYSA-N -1 3 392.415 3.546 20 5 GHBDHM O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001136636397 898668299 /nfs/dbraw/zinc/66/82/99/898668299.db2.gz YPHRLEKFAXMRMQ-UHFFFAOYSA-N -1 3 396.428 3.950 20 5 GHBDHM CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123659708 901960488 /nfs/dbraw/zinc/96/04/88/901960488.db2.gz HCBAHWJNMYTDMU-LLVKDONJSA-N -1 3 386.437 3.531 20 5 GHBDHM CC(C)c1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837230 903502736 /nfs/dbraw/zinc/50/27/36/903502736.db2.gz AOLQRBJCALDGFV-UHFFFAOYSA-N -1 3 378.186 3.921 20 5 GHBDHM CC(C)c1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837230 903502754 /nfs/dbraw/zinc/50/27/54/903502754.db2.gz AOLQRBJCALDGFV-UHFFFAOYSA-N -1 3 378.186 3.921 20 5 GHBDHM O=c1[n-]cc(-c2nc(-c3ccc(Cl)cc3Br)no2)cc1[N+](=O)[O-] ZINC001212843780 903677742 /nfs/dbraw/zinc/67/77/42/903677742.db2.gz BKVKMRTVDVUGTE-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM CCCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)s1 ZINC000180515452 906786218 /nfs/dbraw/zinc/78/62/18/906786218.db2.gz MWCHQMZRJDJICV-UHFFFAOYSA-N -1 3 385.243 3.804 20 5 GHBDHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901982790 921788045 /nfs/dbraw/zinc/78/80/45/921788045.db2.gz GTAIKVVTMFKANC-GFCCVEGCSA-N -1 3 378.475 3.715 20 5 GHBDHM COc1ccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c(Cl)c1 ZINC001212972946 916164101 /nfs/dbraw/zinc/16/41/01/916164101.db2.gz NKDCLIOWQMHTTB-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM C/C(=C/C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752600999 928917383 /nfs/dbraw/zinc/91/73/83/928917383.db2.gz RONUIYYZSFSEKA-FLIBITNWSA-N -1 3 391.221 3.783 20 5 GHBDHM Cc1ccc(NCCCNC(=O)CCCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000469386966 929839676 /nfs/dbraw/zinc/83/96/76/929839676.db2.gz VFUGNCMIPFSRTG-UHFFFAOYSA-N -1 3 389.427 3.689 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1[O-] ZINC000560551214 933335196 /nfs/dbraw/zinc/33/51/96/933335196.db2.gz ULOTWQDHJAAGFM-CYBMUJFWSA-N -1 3 397.431 3.992 20 5 GHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000561049787 933819482 /nfs/dbraw/zinc/81/94/82/933819482.db2.gz ZBHRKUGRWTWSIQ-GOSISDBHSA-N -1 3 396.365 3.811 20 5 GHBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001118324013 934138412 /nfs/dbraw/zinc/13/84/12/934138412.db2.gz KKTUOXVKLIVNFJ-XZJROXQQSA-N -1 3 376.359 3.734 20 5 GHBDHM O=C([N-]Cc1csc(Br)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777944899 934299451 /nfs/dbraw/zinc/29/94/51/934299451.db2.gz VTPJUKPZYFIBDX-UHFFFAOYSA-N -1 3 391.193 3.827 20 5 GHBDHM COc1cc(F)c([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000778000152 934581918 /nfs/dbraw/zinc/58/19/18/934581918.db2.gz NBMRIKQNAQZIBW-JTQLQIEISA-N -1 3 398.337 3.720 20 5 GHBDHM O=C([N-]C1(c2cccc(F)c2)CCOCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778018778 934673991 /nfs/dbraw/zinc/67/39/91/934673991.db2.gz BXBWGEHAKONORA-UHFFFAOYSA-N -1 3 394.349 3.648 20 5 GHBDHM CC(C)c1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001575137396 952138525 /nfs/dbraw/zinc/13/85/25/952138525.db2.gz XWVAGGUUGCGKSG-ZDUSSCGKSA-N -1 3 382.424 3.778 20 5 GHBDHM CC(C)c1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001575137396 952138530 /nfs/dbraw/zinc/13/85/30/952138530.db2.gz XWVAGGUUGCGKSG-ZDUSSCGKSA-N -1 3 382.424 3.778 20 5 GHBDHM CC(C)c1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001575137395 952138950 /nfs/dbraw/zinc/13/89/50/952138950.db2.gz XWVAGGUUGCGKSG-CYBMUJFWSA-N -1 3 382.424 3.778 20 5 GHBDHM CC(C)c1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001575137395 952138958 /nfs/dbraw/zinc/13/89/58/952138958.db2.gz XWVAGGUUGCGKSG-CYBMUJFWSA-N -1 3 382.424 3.778 20 5 GHBDHM CCC1CCC(NCc2c(Br)cccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001595428515 981049141 /nfs/dbraw/zinc/04/91/41/981049141.db2.gz SESSEGOASADGET-UHFFFAOYSA-N -1 3 385.258 3.871 20 5 GHBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC001594963960 982715518 /nfs/dbraw/zinc/71/55/18/982715518.db2.gz AHSYWGWDJAFUQP-RBSFLKMASA-N -1 3 394.468 3.571 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001598507357 992522981 /nfs/dbraw/zinc/52/29/81/992522981.db2.gz OAKMFPONPNCOFL-YLJYHZDGSA-N -1 3 384.432 3.893 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@@H](F)C1 ZINC001227741597 1032538337 /nfs/dbraw/zinc/53/83/37/1032538337.db2.gz OUIHZCOXVVGMEC-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@@H](F)C1 ZINC001227741597 1032538345 /nfs/dbraw/zinc/53/83/45/1032538345.db2.gz OUIHZCOXVVGMEC-WFASDCNBSA-N -1 3 394.403 3.588 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC001228687001 1033044457 /nfs/dbraw/zinc/04/44/57/1033044457.db2.gz SSYPEYXWWCPNTF-CQSZACIVSA-N -1 3 393.440 3.562 20 5 GHBDHM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC001210583448 1027564853 /nfs/dbraw/zinc/56/48/53/1027564853.db2.gz WVQXWIYOFVAGLK-CABCVRRESA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(OC(=C([O-])c2ccccn2)c2ccccn2)c([N+](=O)[O-])c1 ZINC001225600883 1031503560 /nfs/dbraw/zinc/50/35/60/1031503560.db2.gz KKKKWDILHXIKMY-GOSISDBHSA-N -1 3 394.343 3.604 20 5 GHBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225664787 1031530402 /nfs/dbraw/zinc/53/04/02/1031530402.db2.gz UGZFTEMIEMCVQH-NSHDSACASA-N -1 3 384.219 3.656 20 5 GHBDHM O=c1cc[n-]c(O[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001225664787 1031530414 /nfs/dbraw/zinc/53/04/14/1031530414.db2.gz UGZFTEMIEMCVQH-NSHDSACASA-N -1 3 384.219 3.656 20 5 GHBDHM CC(C)(Oc1c([O-])cccc1[N+](=O)[O-])[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001226334752 1031919000 /nfs/dbraw/zinc/91/90/00/1031919000.db2.gz YGZORVQFGUAEAQ-INIZCTEOSA-N -1 3 383.356 3.568 20 5 GHBDHM CC(C)(C)[NH+]1CCC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2[O-])CC1 ZINC001229804328 1033729884 /nfs/dbraw/zinc/72/98/84/1033729884.db2.gz AYAKLHGBMHBOGM-UHFFFAOYSA-N -1 3 383.444 3.999 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)c2ccccc2)nc1 ZINC001208421345 1034890358 /nfs/dbraw/zinc/89/03/58/1034890358.db2.gz DAJGGQFHAZZFIM-IBGZPJMESA-N -1 3 397.456 3.642 20 5 GHBDHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001462841257 1070588823 /nfs/dbraw/zinc/58/88/23/1070588823.db2.gz NSPOCSCFFAFNAN-JTQLQIEISA-N -1 3 389.260 3.811 20 5 GHBDHM COc1cc(Cl)c(F)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001264281617 1047294834 /nfs/dbraw/zinc/29/48/34/1047294834.db2.gz NWKGHTUNGUFUTE-UHFFFAOYSA-N -1 3 396.758 3.810 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)c(F)c1 ZINC001309119830 1050374531 /nfs/dbraw/zinc/37/45/31/1050374531.db2.gz QIGCNTKWLXCKGK-SFHVURJKSA-N -1 3 378.425 3.944 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1nc(C)cs1 ZINC001309168196 1050424549 /nfs/dbraw/zinc/42/45/49/1050424549.db2.gz WGLUHTJEWHSDPU-LLVKDONJSA-N -1 3 389.886 3.751 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)c(F)c1 ZINC001309211796 1050478193 /nfs/dbraw/zinc/47/81/93/1050478193.db2.gz RCRDQLUXOPAJBT-UHFFFAOYSA-N -1 3 398.481 3.976 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1nscc1Br ZINC001354146360 1056370356 /nfs/dbraw/zinc/37/03/56/1056370356.db2.gz PTXYHQURCGKHLB-UHFFFAOYSA-N -1 3 394.153 3.668 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)c(F)c1 ZINC001324657987 1057193415 /nfs/dbraw/zinc/19/34/15/1057193415.db2.gz PNXDLPPDSAKNLU-QMMMGPOBSA-N -1 3 376.768 3.566 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCCC2)c(F)c1 ZINC001463419850 1064332297 /nfs/dbraw/zinc/33/22/97/1064332297.db2.gz BQXBOZCBCPKSKX-UHFFFAOYSA-N -1 3 392.452 3.815 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])s1 ZINC001463481504 1064393213 /nfs/dbraw/zinc/39/32/13/1064393213.db2.gz CPVJWMPTLCSSRJ-LBPRGKRZSA-N -1 3 380.491 3.883 20 5 GHBDHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001466049892 1065966763 /nfs/dbraw/zinc/96/67/63/1065966763.db2.gz BSTAZLHSILUXQU-UHFFFAOYSA-N -1 3 384.314 3.788 20 5 GHBDHM COc1ccc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)cc1[N+](=O)[O-] ZINC001357453445 1067104696 /nfs/dbraw/zinc/10/46/96/1067104696.db2.gz FMYKZKPXPFAYCE-UHFFFAOYSA-N -1 3 375.287 3.789 20 5 GHBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475063318 1074718544 /nfs/dbraw/zinc/71/85/44/1074718544.db2.gz NOXSFZCRKVLPRJ-OLZOCXBDSA-N -1 3 378.903 3.591 20 5 GHBDHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001475125877 1074747974 /nfs/dbraw/zinc/74/79/74/1074747974.db2.gz HMJQEQXWNCMJCR-UHFFFAOYSA-N -1 3 388.367 3.709 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c1Cl ZINC001475195830 1074779689 /nfs/dbraw/zinc/77/96/89/1074779689.db2.gz SEZLYNOFJPXUSM-UHFFFAOYSA-N -1 3 389.260 3.997 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(Cl)c1 ZINC001475517288 1074902811 /nfs/dbraw/zinc/90/28/11/1074902811.db2.gz AAYJJMIPFBLBOV-APHBMKBZSA-N -1 3 399.255 3.518 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000738367373 599267805 /nfs/dbraw/zinc/26/78/05/599267805.db2.gz SGZYIPWITQDNIA-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM CC(C)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000735671104 599269373 /nfs/dbraw/zinc/26/93/73/599269373.db2.gz MTNDCUJILDTIRM-UHFFFAOYSA-N -1 3 389.419 3.713 20 5 GHBDHM CC(C)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000735671104 599269375 /nfs/dbraw/zinc/26/93/75/599269375.db2.gz MTNDCUJILDTIRM-UHFFFAOYSA-N -1 3 389.419 3.713 20 5 GHBDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000737249119 599270754 /nfs/dbraw/zinc/27/07/54/599270754.db2.gz RYYFQDLBNKVITK-UHFFFAOYSA-N -1 3 389.419 3.576 20 5 GHBDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000737249119 599270757 /nfs/dbraw/zinc/27/07/57/599270757.db2.gz RYYFQDLBNKVITK-UHFFFAOYSA-N -1 3 389.419 3.576 20 5 GHBDHM O=[N+]([O-])c1ncccc1Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738375002 598796761 /nfs/dbraw/zinc/79/67/61/598796761.db2.gz XNICWGMETXQGQJ-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822229495 599491241 /nfs/dbraw/zinc/49/12/41/599491241.db2.gz VVYLNKBSUCEEGT-JTQLQIEISA-N -1 3 381.421 3.866 20 5 GHBDHM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822229495 599491242 /nfs/dbraw/zinc/49/12/42/599491242.db2.gz VVYLNKBSUCEEGT-JTQLQIEISA-N -1 3 381.421 3.866 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccsc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643789 606456397 /nfs/dbraw/zinc/45/63/97/606456397.db2.gz AYSOXNNERVFTKA-INIZCTEOSA-N -1 3 393.432 3.726 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccsc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643789 606456398 /nfs/dbraw/zinc/45/63/98/606456398.db2.gz AYSOXNNERVFTKA-INIZCTEOSA-N -1 3 393.432 3.726 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000820456843 606644498 /nfs/dbraw/zinc/64/44/98/606644498.db2.gz WHSAVBOLICELPY-VIFPVBQESA-N -1 3 376.323 3.549 20 5 GHBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000538249546 608538855 /nfs/dbraw/zinc/53/88/55/608538855.db2.gz STOYUSZYQSQMGG-UHFFFAOYSA-N -1 3 384.421 3.528 20 5 GHBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000538249546 608538856 /nfs/dbraw/zinc/53/88/56/608538856.db2.gz STOYUSZYQSQMGG-UHFFFAOYSA-N -1 3 384.421 3.528 20 5 GHBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000826278447 608539953 /nfs/dbraw/zinc/53/99/53/608539953.db2.gz COERKAPCKUBWDG-UHFFFAOYSA-N -1 3 398.448 3.836 20 5 GHBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000826278447 608539955 /nfs/dbraw/zinc/53/99/55/608539955.db2.gz COERKAPCKUBWDG-UHFFFAOYSA-N -1 3 398.448 3.836 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000825149491 608540535 /nfs/dbraw/zinc/54/05/35/608540535.db2.gz YTDIAPPCQBOCNA-CQSZACIVSA-N -1 3 390.407 3.728 20 5 GHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000825149491 608540537 /nfs/dbraw/zinc/54/05/37/608540537.db2.gz YTDIAPPCQBOCNA-CQSZACIVSA-N -1 3 390.407 3.728 20 5 GHBDHM Cc1c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1-c1nnn[n-]1 ZINC000826243070 609487175 /nfs/dbraw/zinc/48/71/75/609487175.db2.gz SFFGTXZMVZZKHJ-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cccc1-c1nn[n-]n1 ZINC000826243070 609487178 /nfs/dbraw/zinc/48/71/78/609487178.db2.gz SFFGTXZMVZZKHJ-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM C[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000581369463 837517970 /nfs/dbraw/zinc/51/79/70/837517970.db2.gz BLIKPSBBQCGVLD-MAUKXSAKSA-N -1 3 383.448 3.905 20 5 GHBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000179864635 836142997 /nfs/dbraw/zinc/14/29/97/836142997.db2.gz OGBXMJCILOJRKJ-IUODEOHRSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471315640 837213014 /nfs/dbraw/zinc/21/30/14/837213014.db2.gz FZKCOXUOZWAHGJ-LLVKDONJSA-N -1 3 378.381 3.828 20 5 GHBDHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC000509903255 844356123 /nfs/dbraw/zinc/35/61/23/844356123.db2.gz BENLQDYMYFJJOG-UHFFFAOYSA-N -1 3 393.403 3.730 20 5 GHBDHM CCCc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000050292418 839764182 /nfs/dbraw/zinc/76/41/82/839764182.db2.gz AGZYOQDTMYPKBY-UHFFFAOYSA-N -1 3 375.435 3.775 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC001211784619 845463303 /nfs/dbraw/zinc/46/33/03/845463303.db2.gz KELSSPLBJTWEDZ-UHFFFAOYSA-N -1 3 392.399 3.861 20 5 GHBDHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185837111 861611492 /nfs/dbraw/zinc/61/14/92/861611492.db2.gz WNOXYDCZPULVNJ-UHFFFAOYSA-N -1 3 390.355 3.680 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)cs2)n1 ZINC000503154664 846848485 /nfs/dbraw/zinc/84/84/85/846848485.db2.gz WWBIDFACRKMNFK-UHFFFAOYSA-N -1 3 397.338 3.723 20 5 GHBDHM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000519002017 850468708 /nfs/dbraw/zinc/46/87/08/850468708.db2.gz CAQRWLICQJSVGQ-GFCCVEGCSA-N -1 3 382.413 3.561 20 5 GHBDHM COc1cccc([C@H](C)CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000440094307 850785232 /nfs/dbraw/zinc/78/52/32/850785232.db2.gz ASJFOFDBCRDAAO-CYBMUJFWSA-N -1 3 380.404 3.548 20 5 GHBDHM CCCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488757373 851743651 /nfs/dbraw/zinc/74/36/51/851743651.db2.gz GXRXNSLUGDIKIH-INIZCTEOSA-N -1 3 378.450 3.813 20 5 GHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000488999760 851917595 /nfs/dbraw/zinc/91/75/95/851917595.db2.gz GXHUDEXBNLYCCS-NSHDSACASA-N -1 3 399.266 3.705 20 5 GHBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3ccccc3[O-])n2)c(Br)c1 ZINC000436941825 852523597 /nfs/dbraw/zinc/52/35/97/852523597.db2.gz GEHSIXXYWNWUAA-UHFFFAOYSA-N -1 3 376.166 3.704 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccco3)s2)c(C)c([N+](=O)[O-])c1 ZINC000485942695 857234601 /nfs/dbraw/zinc/23/46/01/857234601.db2.gz RZNRXRWSIOMXKE-UHFFFAOYSA-N -1 3 387.373 3.659 20 5 GHBDHM COc1ccc(F)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486427523 857726061 /nfs/dbraw/zinc/72/60/61/857726061.db2.gz XJUMUYWDLGHCHL-UHFFFAOYSA-N -1 3 375.175 3.819 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000521346852 857907170 /nfs/dbraw/zinc/90/71/70/857907170.db2.gz WEUCPLIPJWGQKQ-UHFFFAOYSA-N -1 3 375.450 3.611 20 5 GHBDHM CSc1cc2c(cc1[N-]C(=O)c1ccc([N+](=O)[O-])c3cccnc13)OCCO2 ZINC000499648263 858065769 /nfs/dbraw/zinc/06/57/69/858065769.db2.gz TZDILADQVKKHGQ-UHFFFAOYSA-N -1 3 397.412 3.888 20 5 GHBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439103963 858390971 /nfs/dbraw/zinc/39/09/71/858390971.db2.gz ZOPYAZQNBIRPFR-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM CSc1ccc([O-])c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000597313973 859449714 /nfs/dbraw/zinc/44/97/14/859449714.db2.gz PTPIXSLIUHFNCX-UHFFFAOYSA-N -1 3 388.445 3.706 20 5 GHBDHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520416776 881477033 /nfs/dbraw/zinc/47/70/33/881477033.db2.gz SVFNEZQPQGUXBR-GOSISDBHSA-N -1 3 390.823 3.917 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c(C)c1[N+](=O)[O-] ZINC000598733987 860533924 /nfs/dbraw/zinc/53/39/24/860533924.db2.gz HSGMOKWXCLIRQR-UHFFFAOYSA-N -1 3 377.466 3.695 20 5 GHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629085 864972701 /nfs/dbraw/zinc/97/27/01/864972701.db2.gz BXKKHVFSUPAKJU-IBGZPJMESA-N -1 3 397.456 3.675 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000523164497 866815829 /nfs/dbraw/zinc/81/58/29/866815829.db2.gz QDWSITYNYQJSKC-RYUDHWBXSA-N -1 3 382.342 3.714 20 5 GHBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1NC(=O)OC(C)(C)C ZINC000857340801 882211249 /nfs/dbraw/zinc/21/12/49/882211249.db2.gz DMHJWNVPTPPZMC-UHFFFAOYSA-N -1 3 388.380 3.603 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2cccnc2)s1 ZINC000535587239 869023297 /nfs/dbraw/zinc/02/32/97/869023297.db2.gz KIZPKWOVIVPGQT-UHFFFAOYSA-N -1 3 398.400 3.527 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001192810667 870689491 /nfs/dbraw/zinc/68/94/91/870689491.db2.gz WHNHOQASVPLSSS-APHBMKBZSA-N -1 3 399.255 3.518 20 5 GHBDHM O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000619782184 872996836 /nfs/dbraw/zinc/99/68/36/872996836.db2.gz OFEWINTZDKHSEZ-UHFFFAOYSA-N -1 3 382.357 3.817 20 5 GHBDHM CCCOc1cc([N-]C(=O)c2coc(CC)n2)c([N+](=O)[O-])cc1OCCC ZINC000541547775 873846602 /nfs/dbraw/zinc/84/66/02/873846602.db2.gz UTGQHRFVIJGWAH-UHFFFAOYSA-N -1 3 377.397 3.975 20 5 GHBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc2sccc2c([O-])c1 ZINC000786133645 876500048 /nfs/dbraw/zinc/50/00/48/876500048.db2.gz MYHPDXZUOYQTKN-UHFFFAOYSA-N -1 3 397.368 3.922 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137016 883100417 /nfs/dbraw/zinc/10/04/17/883100417.db2.gz IOKGRPHYIMPFMP-UHFFFAOYSA-N -1 3 384.161 3.524 20 5 GHBDHM Cc1cccc(C2([N-]S(=O)(=O)c3cc(F)c(C)cc3[N+](=O)[O-])CCC2)c1 ZINC001212289061 879334110 /nfs/dbraw/zinc/33/41/10/879334110.db2.gz RDFQXCLUQJHWRU-UHFFFAOYSA-N -1 3 378.425 3.708 20 5 GHBDHM CCOc1cc([N-]C(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCC ZINC000790621114 879891535 /nfs/dbraw/zinc/89/15/35/879891535.db2.gz BZPRZMMWVDRJEK-UHFFFAOYSA-N -1 3 375.337 3.553 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(F)cc1C ZINC000791300916 880310119 /nfs/dbraw/zinc/31/01/19/880310119.db2.gz CBUACMYLVVXOFH-UHFFFAOYSA-N -1 3 382.294 3.750 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(CN(C)C)c1 ZINC000176581029 884808102 /nfs/dbraw/zinc/80/81/02/884808102.db2.gz IUCSAEJDVILLQF-UHFFFAOYSA-N -1 3 397.884 3.727 20 5 GHBDHM O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000914895888 885100378 /nfs/dbraw/zinc/10/03/78/885100378.db2.gz ONRAETVISCXBJZ-UHFFFAOYSA-N -1 3 383.147 3.637 20 5 GHBDHM Cc1ccc(C(=O)CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1C ZINC000499062659 886563770 /nfs/dbraw/zinc/56/37/70/886563770.db2.gz WQAVQXIGNUGHFH-UHFFFAOYSA-N -1 3 392.415 3.625 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000460459704 886755547 /nfs/dbraw/zinc/75/55/47/886755547.db2.gz KNKGWVYLCFVZSL-UHFFFAOYSA-N -1 3 398.806 3.868 20 5 GHBDHM O=C([N-]Cc1nc(-c2ccccn2)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001143737170 900428869 /nfs/dbraw/zinc/42/88/69/900428869.db2.gz CZQTYORQYMPFAZ-UHFFFAOYSA-N -1 3 390.371 3.522 20 5 GHBDHM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000574850368 901037309 /nfs/dbraw/zinc/03/73/09/901037309.db2.gz LAMNVEUZSYNOAL-UHFFFAOYSA-N -1 3 381.417 3.798 20 5 GHBDHM Cc1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc1Cl ZINC001212837268 903502471 /nfs/dbraw/zinc/50/24/71/903502471.db2.gz CJSDUTXVAWMRAY-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc1Cl ZINC001212837268 903502481 /nfs/dbraw/zinc/50/24/81/903502481.db2.gz CJSDUTXVAWMRAY-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(Br)cc1F ZINC001212844000 903683842 /nfs/dbraw/zinc/68/38/42/903683842.db2.gz IELJYASTGHLNNW-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000185174130 907726277 /nfs/dbraw/zinc/72/62/77/907726277.db2.gz SBZVEWSQEYSBGQ-UHFFFAOYSA-N -1 3 385.323 3.752 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c([N+](=O)[O-])s1 ZINC001187906932 915589090 /nfs/dbraw/zinc/58/90/90/915589090.db2.gz RAKUMMVSXHERJA-UHFFFAOYSA-N -1 3 399.881 3.620 20 5 GHBDHM Cc1nc2cc(-c3noc(-c4[n-]nc(C(F)(F)F)c4[N+](=O)[O-])n3)ccc2s1 ZINC001212972518 916159317 /nfs/dbraw/zinc/15/93/17/916159317.db2.gz BAQILXDZXOSOEF-UHFFFAOYSA-N -1 3 396.310 3.972 20 5 GHBDHM COc1ccc(Cl)c(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973147 916166145 /nfs/dbraw/zinc/16/61/45/916166145.db2.gz SHWQPJZIDZXFED-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001189321587 916553096 /nfs/dbraw/zinc/55/30/96/916553096.db2.gz RCUCHVCIWCQKEB-QWRGUYRKSA-N -1 3 391.287 3.604 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)ccc1Cl ZINC000800844739 920521090 /nfs/dbraw/zinc/52/10/90/920521090.db2.gz JAVOAHRIVTXEPJ-UHFFFAOYSA-N -1 3 396.730 3.790 20 5 GHBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000800930195 920616043 /nfs/dbraw/zinc/61/60/43/920616043.db2.gz YVYUFYNDEXFAEV-UHFFFAOYSA-N -1 3 394.302 3.574 20 5 GHBDHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725819997 926457405 /nfs/dbraw/zinc/45/74/05/926457405.db2.gz HYIGXJROJIAUKE-NSHDSACASA-N -1 3 384.841 3.686 20 5 GHBDHM CC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000557495636 931471097 /nfs/dbraw/zinc/47/10/97/931471097.db2.gz FFJLBEYSRBOHHF-UHFFFAOYSA-N -1 3 380.809 3.887 20 5 GHBDHM Cc1ccc(-c2csc3[n-]c(Cn4c(C)ncc4[N+](=O)[O-])nc(=O)c23)s1 ZINC000558061093 931822207 /nfs/dbraw/zinc/82/22/07/931822207.db2.gz CMMUHTMIVFBMIA-UHFFFAOYSA-N -1 3 387.446 3.895 20 5 GHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784733236 931991107 /nfs/dbraw/zinc/99/11/07/931991107.db2.gz ABYBOGNHXBEZPD-AWEZNQCLSA-N -1 3 397.387 3.663 20 5 GHBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000778019893 934686210 /nfs/dbraw/zinc/68/62/10/934686210.db2.gz PFBOKGQIVULFSS-NSHDSACASA-N -1 3 394.378 3.995 20 5 GHBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001575510062 949121336 /nfs/dbraw/zinc/12/13/36/949121336.db2.gz FMUXBGRQJFFMGU-GFCCVEGCSA-N -1 3 375.392 3.521 20 5 GHBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001575510062 949121353 /nfs/dbraw/zinc/12/13/53/949121353.db2.gz FMUXBGRQJFFMGU-GFCCVEGCSA-N -1 3 375.392 3.521 20 5 GHBDHM COc1cc(O[C@H]2CCCC(=O)C2(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645151 1032499931 /nfs/dbraw/zinc/49/99/31/1032499931.db2.gz DUSVIOXNJKCXSP-KRWDZBQOSA-N -1 3 398.411 3.893 20 5 GHBDHM C[C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743258 1032539504 /nfs/dbraw/zinc/53/95/04/1032539504.db2.gz KDDBFMKJUOCDRS-AAEUAGOBSA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001227743258 1032539511 /nfs/dbraw/zinc/53/95/11/1032539511.db2.gz KDDBFMKJUOCDRS-AAEUAGOBSA-N -1 3 376.413 3.638 20 5 GHBDHM Cc1cc2[n-]c(OC3CCN(c4ccccc4[N+](=O)[O-])CC3)nc2cc1[N+](=O)[O-] ZINC001228674687 1033036662 /nfs/dbraw/zinc/03/66/62/1033036662.db2.gz LFKIQKJQTBXJMN-UHFFFAOYSA-N -1 3 397.391 3.736 20 5 GHBDHM Cc1cc2[n-]c(OC3CC4(CCN4C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228675061 1033038149 /nfs/dbraw/zinc/03/81/49/1033038149.db2.gz NAIKKFZESFUWMO-UHFFFAOYSA-N -1 3 388.424 3.700 20 5 GHBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001210952829 1027718042 /nfs/dbraw/zinc/71/80/42/1027718042.db2.gz RMIFXAUTSVSKQH-LBPRGKRZSA-N -1 3 392.778 3.970 20 5 GHBDHM CCOC(=O)c1cc(Nc2cccc([O-])c2Br)cc([N+](=O)[O-])c1 ZINC001211375768 1027929010 /nfs/dbraw/zinc/92/90/10/1027929010.db2.gz OOIHFYBTCQMWQT-UHFFFAOYSA-N -1 3 381.182 3.983 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H]2C=CC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218338253 1030901418 /nfs/dbraw/zinc/90/14/18/1030901418.db2.gz UVVSHEYHTGZVQF-AWEZNQCLSA-N -1 3 393.439 3.773 20 5 GHBDHM Cc1ccc(CSc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)n[n-]2)cc1 ZINC001159357102 1034560318 /nfs/dbraw/zinc/56/03/18/1034560318.db2.gz MXDYNDAMVVJDOX-UHFFFAOYSA-N -1 3 383.433 3.874 20 5 GHBDHM Cc1cc2ccccc2nc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247998472 1038531047 /nfs/dbraw/zinc/53/10/47/1038531047.db2.gz DWCJYARUWSWNGF-UHFFFAOYSA-N -1 3 375.344 3.754 20 5 GHBDHM CC(C)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001463314446 1070981898 /nfs/dbraw/zinc/98/18/98/1070981898.db2.gz APYMDKQFJHKTKZ-UHFFFAOYSA-N -1 3 380.388 3.718 20 5 GHBDHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC001309245174 1050513547 /nfs/dbraw/zinc/51/35/47/1050513547.db2.gz YOJGBCMEXSFDEM-CQSZACIVSA-N -1 3 380.441 3.569 20 5 GHBDHM COc1ccccc1C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001328549231 1050540788 /nfs/dbraw/zinc/54/07/88/1050540788.db2.gz PALPWUGDGDHIFY-UHFFFAOYSA-N -1 3 396.852 3.615 20 5 GHBDHM O=c1ccnc([C@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[n-]1 ZINC001458705556 1063923344 /nfs/dbraw/zinc/92/33/44/1063923344.db2.gz SNAGUBOWYRLLAX-MGCOHNPYSA-N -1 3 383.330 3.643 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])s1 ZINC001463529145 1064438665 /nfs/dbraw/zinc/43/86/65/1064438665.db2.gz LAZYXFABMIIWSL-UHFFFAOYSA-N -1 3 394.396 3.770 20 5 GHBDHM O=c1[n-]ccc(Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)c1[N+](=O)[O-] ZINC001472723789 1073637301 /nfs/dbraw/zinc/63/73/01/1073637301.db2.gz MGTNLLLYGRHVIM-UHFFFAOYSA-N -1 3 388.387 3.746 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(COC(C)(C)C)c2)c([N+](=O)[O-])s1 ZINC001474909363 1074627223 /nfs/dbraw/zinc/62/72/23/1074627223.db2.gz NDGIMCZVYGXYRK-UHFFFAOYSA-N -1 3 398.506 3.758 20 5 GHBDHM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001474923368 1074633728 /nfs/dbraw/zinc/63/37/28/1074633728.db2.gz PNOPQWMFHALCBP-UHFFFAOYSA-N -1 3 382.869 3.938 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC001475206184 1074784915 /nfs/dbraw/zinc/78/49/15/1074784915.db2.gz WMDPJOZGOGYQST-NSHDSACASA-N -1 3 388.795 3.812 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001475230084 1074796557 /nfs/dbraw/zinc/79/65/57/1074796557.db2.gz ZMNQEPHKWPSXAO-UHFFFAOYSA-N -1 3 378.425 3.514 20 5 GHBDHM O=[N+]([O-])c1ccc(CCCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738361073 598854497 /nfs/dbraw/zinc/85/44/97/598854497.db2.gz UJAQNWANKGOTEY-UHFFFAOYSA-N -1 3 389.419 3.758 20 5 GHBDHM O=[N+]([O-])c1ccc(CCCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738361073 598854499 /nfs/dbraw/zinc/85/44/99/598854499.db2.gz UJAQNWANKGOTEY-UHFFFAOYSA-N -1 3 389.419 3.758 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822233635 599108590 /nfs/dbraw/zinc/10/85/90/599108590.db2.gz SFZHWSFXCQCZHO-LPHOPBHVSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822233635 599108592 /nfs/dbraw/zinc/10/85/92/599108592.db2.gz SFZHWSFXCQCZHO-LPHOPBHVSA-N -1 3 394.435 3.663 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)s2)cs1 ZINC000822419067 599319628 /nfs/dbraw/zinc/31/96/28/599319628.db2.gz LQQMRRUYZKZVGH-UHFFFAOYSA-N -1 3 399.461 3.880 20 5 GHBDHM Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)s2)cs1 ZINC000822419067 599319632 /nfs/dbraw/zinc/31/96/32/599319632.db2.gz LQQMRRUYZKZVGH-UHFFFAOYSA-N -1 3 399.461 3.880 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736674513 599374581 /nfs/dbraw/zinc/37/45/81/599374581.db2.gz CZEMDVPOYCNXRT-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736674513 599374583 /nfs/dbraw/zinc/37/45/83/599374583.db2.gz CZEMDVPOYCNXRT-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678890 599484363 /nfs/dbraw/zinc/48/43/63/599484363.db2.gz ZYDNKTJRXACHOE-GWCFXTLKSA-N -1 3 391.391 3.652 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000820678890 599484365 /nfs/dbraw/zinc/48/43/65/599484365.db2.gz ZYDNKTJRXACHOE-GWCFXTLKSA-N -1 3 391.391 3.652 20 5 GHBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1F ZINC000820451618 599484650 /nfs/dbraw/zinc/48/46/50/599484650.db2.gz WKEHUTXVDUMVSW-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1F ZINC000820451618 599484652 /nfs/dbraw/zinc/48/46/52/599484652.db2.gz WKEHUTXVDUMVSW-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM Cc1ccc([C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000738570066 599707951 /nfs/dbraw/zinc/70/79/51/599707951.db2.gz XQGHZGHONAOHGT-YOCVDRLZSA-N -1 3 385.420 3.843 20 5 GHBDHM C[C@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820825914 606442971 /nfs/dbraw/zinc/44/29/71/606442971.db2.gz HDARXYLLJRTGHC-JTQLQIEISA-N -1 3 393.432 3.508 20 5 GHBDHM C[C@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820825914 606442973 /nfs/dbraw/zinc/44/29/73/606442973.db2.gz HDARXYLLJRTGHC-JTQLQIEISA-N -1 3 393.432 3.508 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2cccc(F)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826498922 608234713 /nfs/dbraw/zinc/23/47/13/608234713.db2.gz ONXDRQNPDVSWHW-SFHVURJKSA-N -1 3 391.366 3.511 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2cccc(F)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826498922 608234714 /nfs/dbraw/zinc/23/47/14/608234714.db2.gz ONXDRQNPDVSWHW-SFHVURJKSA-N -1 3 391.366 3.511 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC000826499608 608443232 /nfs/dbraw/zinc/44/32/32/608443232.db2.gz PLBBHBGNNKBSAB-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)ccc2c1 ZINC000826499608 608443233 /nfs/dbraw/zinc/44/32/33/608443233.db2.gz PLBBHBGNNKBSAB-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM COc1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000826181116 609437519 /nfs/dbraw/zinc/43/75/19/609437519.db2.gz LNRYXDGAFUECCD-UHFFFAOYSA-N -1 3 384.396 3.659 20 5 GHBDHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000826181116 609437521 /nfs/dbraw/zinc/43/75/21/609437521.db2.gz LNRYXDGAFUECCD-UHFFFAOYSA-N -1 3 384.396 3.659 20 5 GHBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000826186421 609483739 /nfs/dbraw/zinc/48/37/39/609483739.db2.gz RNMWGJXEQFULEG-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000826186421 609483740 /nfs/dbraw/zinc/48/37/40/609483740.db2.gz RNMWGJXEQFULEG-UHFFFAOYSA-N -1 3 392.375 3.656 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000508605914 609505842 /nfs/dbraw/zinc/50/58/42/609505842.db2.gz MVQYTDLGVUZYGU-UHFFFAOYSA-N -1 3 384.421 3.529 20 5 GHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000508605914 609505843 /nfs/dbraw/zinc/50/58/43/609505843.db2.gz MVQYTDLGVUZYGU-UHFFFAOYSA-N -1 3 384.421 3.529 20 5 GHBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c1 ZINC000061693066 835077296 /nfs/dbraw/zinc/07/72/96/835077296.db2.gz LLIXGHHSUMAGEX-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(C)c1 ZINC000414460428 838355110 /nfs/dbraw/zinc/35/51/10/838355110.db2.gz JJECSYNSZVFWGZ-ZDUSSCGKSA-N -1 3 387.436 3.758 20 5 GHBDHM COc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000124907439 841052127 /nfs/dbraw/zinc/05/21/27/841052127.db2.gz NWXZGAOHEMKTMG-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000120686939 846248841 /nfs/dbraw/zinc/24/88/41/846248841.db2.gz MMXZBDWHVUVWRG-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000504262563 849980747 /nfs/dbraw/zinc/98/07/47/849980747.db2.gz YPBYIDJMPIIYOZ-UHFFFAOYSA-N -1 3 391.689 3.542 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000518967102 850419958 /nfs/dbraw/zinc/41/99/58/850419958.db2.gz ALQZZOBZSUYNDA-LSDHHAIUSA-N -1 3 380.853 3.863 20 5 GHBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)s2)c(C)c1 ZINC000487755413 850891667 /nfs/dbraw/zinc/89/16/67/850891667.db2.gz QKQBWXXWROHDAI-UHFFFAOYSA-N -1 3 398.400 3.711 20 5 GHBDHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000515517767 851118921 /nfs/dbraw/zinc/11/89/21/851118921.db2.gz ZFCQGRJLFPQXIR-UHFFFAOYSA-N -1 3 398.868 3.694 20 5 GHBDHM CC(C)N1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000550075067 851397387 /nfs/dbraw/zinc/39/73/87/851397387.db2.gz LYCMUFVWOLHUCM-QUCCMNQESA-N -1 3 391.418 3.892 20 5 GHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(C(F)(F)F)ccc1F ZINC000426806422 852395400 /nfs/dbraw/zinc/39/54/00/852395400.db2.gz JMEVGRHXIUNDJT-AWEZNQCLSA-N -1 3 386.301 3.538 20 5 GHBDHM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000436953403 852542683 /nfs/dbraw/zinc/54/26/83/852542683.db2.gz PAJPOCTUHKFYMW-YJBOKZPZSA-N -1 3 383.448 3.598 20 5 GHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473853101 852587819 /nfs/dbraw/zinc/58/78/19/852587819.db2.gz VXPDJEKDQBMJNT-HNNXBMFYSA-N -1 3 390.465 3.592 20 5 GHBDHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000490666996 853169358 /nfs/dbraw/zinc/16/93/58/853169358.db2.gz BRIUISNMIHCLLM-UHFFFAOYSA-N -1 3 379.210 3.979 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1OC ZINC000572415290 854484620 /nfs/dbraw/zinc/48/46/20/854484620.db2.gz ZXOBTUBPAOBOOW-GRDNDAEWSA-N -1 3 394.468 3.713 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000542732141 855581743 /nfs/dbraw/zinc/58/17/43/855581743.db2.gz QDCNZQSHLQOQTJ-UHFFFAOYSA-N -1 3 382.413 3.939 20 5 GHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Sc1ccccc1 ZINC000462606666 856025429 /nfs/dbraw/zinc/02/54/29/856025429.db2.gz QOBYFPSYKPDMRX-LLVKDONJSA-N -1 3 386.882 3.707 20 5 GHBDHM CC(C)COc1ccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000520737433 856272159 /nfs/dbraw/zinc/27/21/59/856272159.db2.gz CCDCECTUQRGIRY-UHFFFAOYSA-N -1 3 394.431 3.623 20 5 GHBDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000485985041 857301208 /nfs/dbraw/zinc/30/12/08/857301208.db2.gz YNDSORCXXRCLJO-PLNGDYQASA-N -1 3 393.346 3.791 20 5 GHBDHM O=C([N-]CCOc1ccc(Cl)c(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001129057152 857601178 /nfs/dbraw/zinc/60/11/78/857601178.db2.gz IBZZQVOXIURBIA-UHFFFAOYSA-N -1 3 388.729 3.674 20 5 GHBDHM COc1cc(Br)ccc1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596192537 858803216 /nfs/dbraw/zinc/80/32/16/858803216.db2.gz HSVKHDQGFFXQRG-UHFFFAOYSA-N -1 3 382.214 3.511 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2ccccc2)c2ccccn2)s1 ZINC000301933352 859176794 /nfs/dbraw/zinc/17/67/94/859176794.db2.gz QBGPHEWXXJVHEY-MRXNPFEDSA-N -1 3 389.458 3.656 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccccc3)s2)cc([N+](=O)[O-])c1 ZINC000118723634 859910949 /nfs/dbraw/zinc/91/09/49/859910949.db2.gz LFJAZDAMSKHZSR-UHFFFAOYSA-N -1 3 383.385 3.757 20 5 GHBDHM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000026558122 860513468 /nfs/dbraw/zinc/51/34/68/860513468.db2.gz ISYVCMJIFVMUSE-UHFFFAOYSA-N -1 3 379.398 3.648 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2s1 ZINC000734154753 864015739 /nfs/dbraw/zinc/01/57/39/864015739.db2.gz PZYNFOBNZIVDGR-VIFPVBQESA-N -1 3 397.865 3.897 20 5 GHBDHM Cc1cc(C)cc(-c2cc(=NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[nH][n-]2)c1 ZINC000608783652 865692786 /nfs/dbraw/zinc/69/27/86/865692786.db2.gz FTOFDYLZLHTUQV-UHFFFAOYSA-N -1 3 375.388 3.757 20 5 GHBDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000481022413 865693017 /nfs/dbraw/zinc/69/30/17/865693017.db2.gz UASOEEHSDDOMDX-OAHLLOKOSA-N -1 3 377.466 3.591 20 5 GHBDHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608886785 865815508 /nfs/dbraw/zinc/81/55/08/865815508.db2.gz GQYYCPUVVCZOFT-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(C(F)(F)F)c1 ZINC000479967387 868812288 /nfs/dbraw/zinc/81/22/88/868812288.db2.gz OZPRNCTXWXDSOY-DAXSKMNVSA-N -1 3 386.351 3.605 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000793605131 882310744 /nfs/dbraw/zinc/31/07/44/882310744.db2.gz LKTLLGFFMSCYNM-UHFFFAOYSA-N -1 3 391.468 3.523 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462677320 869886364 /nfs/dbraw/zinc/88/63/64/869886364.db2.gz LKFVSPSTGPSLEV-VIFPVBQESA-N -1 3 390.795 3.608 20 5 GHBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000539115732 871337078 /nfs/dbraw/zinc/33/70/78/871337078.db2.gz RTAIBMVTHNAHQU-UHFFFAOYSA-N -1 3 394.396 3.505 20 5 GHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1[N+](=O)[O-] ZINC000447275256 871342898 /nfs/dbraw/zinc/34/28/98/871342898.db2.gz TWQWZOKVPKONPY-UHFFFAOYSA-N -1 3 392.364 3.803 20 5 GHBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000794427832 873413781 /nfs/dbraw/zinc/41/37/81/873413781.db2.gz MPDXEPDRTSTKIG-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000775930407 874799221 /nfs/dbraw/zinc/79/92/21/874799221.db2.gz QRQUUMMOVTXQTB-VIFPVBQESA-N -1 3 389.751 3.922 20 5 GHBDHM CCOC(=O)c1c(Nc2cc([O-])cc([N+](=O)[O-])c2)sc2c1CCCC2=O ZINC001199801311 875194704 /nfs/dbraw/zinc/19/47/04/875194704.db2.gz CRYWBHMTCKCGEU-UHFFFAOYSA-N -1 3 376.390 3.801 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000790223246 879557335 /nfs/dbraw/zinc/55/73/35/879557335.db2.gz GFRLFMMYABTYSF-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=C([O-])/C=C/c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787234 884791079 /nfs/dbraw/zinc/79/10/79/884791079.db2.gz GIDCOTFQSJLOBC-VQHVLOKHSA-N -1 3 381.432 3.553 20 5 GHBDHM COc1ccc(S[C@@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000499031220 886381660 /nfs/dbraw/zinc/38/16/60/886381660.db2.gz PWDWUJSZXCFMSG-LBPRGKRZSA-N -1 3 398.444 3.535 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195144962 886501195 /nfs/dbraw/zinc/50/11/95/886501195.db2.gz FDGICYUATMMOGI-UHFFFAOYSA-N -1 3 399.447 3.984 20 5 GHBDHM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863267979 886982512 /nfs/dbraw/zinc/98/25/12/886982512.db2.gz YUVKLEUBLNHLKK-UHFFFAOYSA-N -1 3 384.417 3.746 20 5 GHBDHM C[C@@H](C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc([N+](=O)[O-])c1 ZINC000568826642 898138344 /nfs/dbraw/zinc/13/83/44/898138344.db2.gz XKFWHHWKFMCOBH-LLVKDONJSA-N -1 3 377.360 3.868 20 5 GHBDHM O=[N+]([O-])c1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000826498494 901301924 /nfs/dbraw/zinc/30/19/24/901301924.db2.gz XGSUAYQWSAFHEB-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM O=[N+]([O-])c1ccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000826498494 901301937 /nfs/dbraw/zinc/30/19/37/901301937.db2.gz XGSUAYQWSAFHEB-UHFFFAOYSA-N -1 3 384.827 3.593 20 5 GHBDHM O=[N+]([O-])c1ccccc1OCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826501014 901372954 /nfs/dbraw/zinc/37/29/54/901372954.db2.gz VVHWFXIMDOLHDM-UHFFFAOYSA-N -1 3 377.813 3.599 20 5 GHBDHM O=[N+]([O-])c1ccccc1OCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826501014 901372971 /nfs/dbraw/zinc/37/29/71/901372971.db2.gz VVHWFXIMDOLHDM-UHFFFAOYSA-N -1 3 377.813 3.599 20 5 GHBDHM CC(C)Oc1cccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837497 903531856 /nfs/dbraw/zinc/53/18/56/903531856.db2.gz OEELEUZLZVLLGU-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM CC(C)Oc1cccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837497 903531863 /nfs/dbraw/zinc/53/18/63/903531863.db2.gz OEELEUZLZVLLGU-UHFFFAOYSA-N -1 3 394.185 3.585 20 5 GHBDHM Cc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(F)cc1Br ZINC001212844447 903698271 /nfs/dbraw/zinc/69/82/71/903698271.db2.gz UNERILLFMWVHDK-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001212935698 911769196 /nfs/dbraw/zinc/76/91/96/911769196.db2.gz IIQQLMCGXCVVRM-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(Br)cc1F ZINC001212937157 911787480 /nfs/dbraw/zinc/78/74/80/911787480.db2.gz QPFRXCTZALDNTI-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cs1 ZINC000802754549 922382748 /nfs/dbraw/zinc/38/27/48/922382748.db2.gz BKGLTRXEBHROQE-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000011809160 925635874 /nfs/dbraw/zinc/63/58/74/925635874.db2.gz HKVILNVMGMLJHA-UHFFFAOYSA-N -1 3 392.582 3.679 20 5 GHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784733237 931991617 /nfs/dbraw/zinc/99/16/17/931991617.db2.gz ABYBOGNHXBEZPD-CQSZACIVSA-N -1 3 397.387 3.663 20 5 GHBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000558739475 932204033 /nfs/dbraw/zinc/20/40/33/932204033.db2.gz MDLNBLIPGMBYEJ-UHFFFAOYSA-N -1 3 378.388 3.664 20 5 GHBDHM C[C@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216841 950742194 /nfs/dbraw/zinc/74/21/94/950742194.db2.gz JLIRQZVVHJWHED-UWVGGRQHSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216841 950742210 /nfs/dbraw/zinc/74/22/10/950742210.db2.gz JLIRQZVVHJWHED-UWVGGRQHSA-N -1 3 398.448 3.775 20 5 GHBDHM CC(C)(C)c1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001573882210 950774873 /nfs/dbraw/zinc/77/48/73/950774873.db2.gz XSEFLGAYARIQJI-UHFFFAOYSA-N -1 3 376.417 3.885 20 5 GHBDHM CC(C)(C)c1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001573882210 950774890 /nfs/dbraw/zinc/77/48/90/950774890.db2.gz XSEFLGAYARIQJI-UHFFFAOYSA-N -1 3 376.417 3.885 20 5 GHBDHM CC(C)[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001591096467 991687674 /nfs/dbraw/zinc/68/76/74/991687674.db2.gz FMEHRPSXXPUUJI-FQEVSTJZSA-N -1 3 383.448 3.640 20 5 GHBDHM C[C@H]1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740871 1032538504 /nfs/dbraw/zinc/53/85/04/1032538504.db2.gz BHLXOGZOZDWUJO-WCQYABFASA-N -1 3 376.413 3.638 20 5 GHBDHM C[C@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCN1C(=O)OC(C)(C)C ZINC001227740871 1032538506 /nfs/dbraw/zinc/53/85/06/1032538506.db2.gz BHLXOGZOZDWUJO-WCQYABFASA-N -1 3 376.413 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741287 1032537951 /nfs/dbraw/zinc/53/79/51/1032537951.db2.gz KWVUXOJBZPKXBQ-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741287 1032537959 /nfs/dbraw/zinc/53/79/59/1032537959.db2.gz KWVUXOJBZPKXBQ-DOMZBBRYSA-N -1 3 394.403 3.588 20 5 GHBDHM Nc1ccc2n(C(=O)c3cnc4cccc([O-])c4c3)c3ccccc3cc-2c1=O ZINC001155539143 1032573725 /nfs/dbraw/zinc/57/37/25/1032573725.db2.gz AWWSWNNXIOQJDY-UHFFFAOYSA-N -1 3 381.391 3.631 20 5 GHBDHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901787811 1021447282 /nfs/dbraw/zinc/44/72/82/1021447282.db2.gz SKIVJAUNSRMICY-MRXNPFEDSA-N -1 3 384.310 3.694 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228671230 1033035725 /nfs/dbraw/zinc/03/57/25/1033035725.db2.gz FQFDUMSDFWONBK-CHWSQXEVSA-N -1 3 390.440 3.946 20 5 GHBDHM CCOC(=O)c1ccnc([N-][C@H](c2ccccc2OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001162902779 1025960711 /nfs/dbraw/zinc/96/07/11/1025960711.db2.gz QGYXPHGPARQMOP-CQSZACIVSA-N -1 3 399.325 3.891 20 5 GHBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CCC2)cc1 ZINC001213926844 1028454971 /nfs/dbraw/zinc/45/49/71/1028454971.db2.gz MVSZIHRWWPCOFP-SFHVURJKSA-N -1 3 394.424 3.562 20 5 GHBDHM COc1c([O-])ccc(CN2CCc3sc(Br)cc3C2)c1[N+](=O)[O-] ZINC001206680382 1033942507 /nfs/dbraw/zinc/94/25/07/1033942507.db2.gz IJFVTFCOWHOOGZ-UHFFFAOYSA-N -1 3 399.266 3.691 20 5 GHBDHM C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001230884671 1034270068 /nfs/dbraw/zinc/27/00/68/1034270068.db2.gz GDAZABOIDJGYQU-QMMMGPOBSA-N -1 3 389.751 3.766 20 5 GHBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc([O-])cc(Br)c1 ZINC001295037052 1044896720 /nfs/dbraw/zinc/89/67/20/1044896720.db2.gz JXAYONFWNVFJMY-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM C[C@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463235885 1070930726 /nfs/dbraw/zinc/93/07/26/1070930726.db2.gz XHYOYWXJEUNDMP-DYZYQPBXSA-N -1 3 398.843 3.989 20 5 GHBDHM O=c1cc(COc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)nc(-c2ccccc2)[n-]1 ZINC001307365765 1049225380 /nfs/dbraw/zinc/22/53/80/1049225380.db2.gz MPCUOTKMZQHIMI-UHFFFAOYSA-N -1 3 395.268 3.893 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])s1 ZINC001309276090 1050546127 /nfs/dbraw/zinc/54/61/27/1050546127.db2.gz XSQMYUQGXMDAID-MRVPVSSYSA-N -1 3 378.834 3.797 20 5 GHBDHM CCOc1cc(C(=O)[N-]c2noc(C(C)(C)C)c2C)c([N+](=O)[O-])cc1OC ZINC001438606180 1064083600 /nfs/dbraw/zinc/08/36/00/1064083600.db2.gz NGKDTLDPQWFKEA-UHFFFAOYSA-N -1 3 377.397 3.848 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2cccc(OC)c2)no1 ZINC001459584798 1064135810 /nfs/dbraw/zinc/13/58/10/1064135810.db2.gz HRCCCSNRDDDORH-UHFFFAOYSA-N -1 3 383.360 3.909 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc(Br)cc2[O-])c1F ZINC001464134373 1064848264 /nfs/dbraw/zinc/84/82/64/1064848264.db2.gz FHOBHMPETIYZGU-UHFFFAOYSA-N -1 3 387.136 3.902 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC(F)CC1 ZINC001464165902 1064880505 /nfs/dbraw/zinc/88/05/05/1064880505.db2.gz UNEVBVJCTAZPQL-WHXUTIOJSA-N -1 3 398.378 3.809 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])s1 ZINC001464244340 1064924630 /nfs/dbraw/zinc/92/46/30/1064924630.db2.gz WNPKRNUZJBQAKF-ZDUSSCGKSA-N -1 3 386.882 3.974 20 5 GHBDHM CCCN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC001467902892 1067521459 /nfs/dbraw/zinc/52/14/59/1067521459.db2.gz JFVGVSSYCDFFKI-QGZVFWFLSA-N -1 3 391.855 3.767 20 5 GHBDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001475100224 1074736408 /nfs/dbraw/zinc/73/64/08/1074736408.db2.gz UDENYEMVLMUFLF-INIZCTEOSA-N -1 3 384.404 3.939 20 5 GHBDHM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001475103099 1074738641 /nfs/dbraw/zinc/73/86/41/1074738641.db2.gz GYGDBYSPZKMYDS-CYBMUJFWSA-N -1 3 380.441 3.767 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738369641 598245880 /nfs/dbraw/zinc/24/58/80/598245880.db2.gz LFVJVYMGGGOWTM-ABAIWWIYSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738369641 598245881 /nfs/dbraw/zinc/24/58/81/598245881.db2.gz LFVJVYMGGGOWTM-ABAIWWIYSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccccc2OCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738367280 598507022 /nfs/dbraw/zinc/50/70/22/598507022.db2.gz PDULGRVLLDCGFL-UHFFFAOYSA-N -1 3 381.270 3.508 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccccc2OCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738367280 598507024 /nfs/dbraw/zinc/50/70/24/598507024.db2.gz PDULGRVLLDCGFL-UHFFFAOYSA-N -1 3 381.270 3.508 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2(Sc3ccccc3)CCCC2)c(-c2nnn[n-]2)c1 ZINC000738374507 598594445 /nfs/dbraw/zinc/59/44/45/598594445.db2.gz PPENXMLZMSZHHB-UHFFFAOYSA-N -1 3 397.464 3.687 20 5 GHBDHM O=[N+]([O-])c1cnc(NCC2(Sc3ccccc3)CCCC2)c(-c2nn[n-]n2)c1 ZINC000738374507 598594447 /nfs/dbraw/zinc/59/44/47/598594447.db2.gz PPENXMLZMSZHHB-UHFFFAOYSA-N -1 3 397.464 3.687 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2ccccc2Br)c(-c2nnn[n-]2)c1 ZINC000823645155 599321858 /nfs/dbraw/zinc/32/18/58/599321858.db2.gz OVIAXBMIGCTCES-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1ccc(Sc2ccccc2Br)c(-c2nn[n-]n2)c1 ZINC000823645155 599321861 /nfs/dbraw/zinc/32/18/61/599321861.db2.gz OVIAXBMIGCTCES-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM CCc1nc([C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504813 599550393 /nfs/dbraw/zinc/55/03/93/599550393.db2.gz LDWKRHZSJSYRPU-VIFPVBQESA-N -1 3 396.436 3.515 20 5 GHBDHM CCc1nc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504813 599550395 /nfs/dbraw/zinc/55/03/95/599550395.db2.gz LDWKRHZSJSYRPU-VIFPVBQESA-N -1 3 396.436 3.515 20 5 GHBDHM O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823647254 607159746 /nfs/dbraw/zinc/15/97/46/607159746.db2.gz IYDYSAWNXVJWJZ-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823647254 607159748 /nfs/dbraw/zinc/15/97/48/607159748.db2.gz IYDYSAWNXVJWJZ-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000826176205 608047463 /nfs/dbraw/zinc/04/74/63/608047463.db2.gz GLCSSGUNERDEIN-UHFFFAOYSA-N -1 3 390.359 3.638 20 5 GHBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000826176205 608047464 /nfs/dbraw/zinc/04/74/64/608047464.db2.gz GLCSSGUNERDEIN-UHFFFAOYSA-N -1 3 390.359 3.638 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cc1 ZINC000061693065 835076222 /nfs/dbraw/zinc/07/62/22/835076222.db2.gz SKEIQBCJSUPYND-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3cc4ccccc4cc3c(=O)n2C)n1 ZINC000151242231 835318037 /nfs/dbraw/zinc/31/80/37/835318037.db2.gz NVEYPRIBWMMEEN-GFCCVEGCSA-N -1 3 378.457 3.744 20 5 GHBDHM Cc1c(F)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)cc1Cl ZINC000535613552 835752659 /nfs/dbraw/zinc/75/26/59/835752659.db2.gz TUGVADRZPRJPRU-UHFFFAOYSA-N -1 3 380.731 3.775 20 5 GHBDHM CCOc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000179656045 835934650 /nfs/dbraw/zinc/93/46/50/835934650.db2.gz FVSOQQUZOOIXGH-UHFFFAOYSA-N -1 3 381.182 3.714 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1C ZINC000180288949 836996542 /nfs/dbraw/zinc/99/65/42/836996542.db2.gz QQDWFJDYBAYKTR-UHFFFAOYSA-N -1 3 376.221 3.714 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000177723245 837086480 /nfs/dbraw/zinc/08/64/80/837086480.db2.gz GLQOYSHOOYOQEU-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)cc1Br ZINC000319237828 841440265 /nfs/dbraw/zinc/44/02/65/841440265.db2.gz WUGUXUZKPGTSNV-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000500118779 841474548 /nfs/dbraw/zinc/47/45/48/841474548.db2.gz DLGAAPLPLDJTQQ-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1[O-] ZINC000126698971 841871271 /nfs/dbraw/zinc/87/12/71/841871271.db2.gz HZMXHINTBCZTHE-UHFFFAOYSA-N -1 3 383.223 3.794 20 5 GHBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000322150217 845120243 /nfs/dbraw/zinc/12/02/43/845120243.db2.gz SPZOHQXGZBSIBH-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c(F)c1 ZINC000604018232 861593960 /nfs/dbraw/zinc/59/39/60/861593960.db2.gz SQIYSJZDYOMVHT-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM COc1cc(CNCc2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000583344551 849678429 /nfs/dbraw/zinc/67/84/29/849678429.db2.gz RNPFZBFTAHPRJW-UHFFFAOYSA-N -1 3 392.280 3.896 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc([N-]S(=O)(=O)CCOCC3CC3)c2)cc1 ZINC000424064492 850198198 /nfs/dbraw/zinc/19/81/98/850198198.db2.gz OKHBDCGQAZBVDW-UHFFFAOYSA-N -1 3 392.433 3.555 20 5 GHBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426685976 852271210 /nfs/dbraw/zinc/27/12/10/852271210.db2.gz LHOXKTQTZKWVOK-QGZVFWFLSA-N -1 3 383.429 3.504 20 5 GHBDHM COc1cc(C)cc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1[O-] ZINC000436952892 852542712 /nfs/dbraw/zinc/54/27/12/852542712.db2.gz YPNVTMZKNIUXTO-UHFFFAOYSA-N -1 3 380.360 3.740 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000056127871 854375740 /nfs/dbraw/zinc/37/57/40/854375740.db2.gz IFYHHEQJEMVACG-CYBMUJFWSA-N -1 3 388.367 3.875 20 5 GHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1F ZINC000485160488 856165737 /nfs/dbraw/zinc/16/57/37/856165737.db2.gz LAJZOZMCFBRIAV-UHFFFAOYSA-N -1 3 382.344 3.634 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000173225699 856812569 /nfs/dbraw/zinc/81/25/69/856812569.db2.gz LDKMYBRENLOVRZ-UHFFFAOYSA-N -1 3 389.824 3.646 20 5 GHBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(Br)cc1[O-] ZINC000520977021 857471934 /nfs/dbraw/zinc/47/19/34/857471934.db2.gz FNEGEHRCZRUQHL-UHFFFAOYSA-N -1 3 390.193 3.656 20 5 GHBDHM CC(C)(C)O[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000611095803 859608202 /nfs/dbraw/zinc/60/82/02/859608202.db2.gz KLPSKOLDQIOGLH-LJQANCHMSA-N -1 3 394.431 3.902 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000727352986 860049814 /nfs/dbraw/zinc/04/98/14/860049814.db2.gz BQCBIJFDEPBGSV-CMDGGOBGSA-N -1 3 383.223 3.770 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cc1 ZINC000126180376 860973488 /nfs/dbraw/zinc/97/34/88/860973488.db2.gz RHMIGLGVDIJQJC-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609198263 881654425 /nfs/dbraw/zinc/65/44/25/881654425.db2.gz DUVMKZNXWGKYLW-UHFFFAOYSA-N -1 3 398.868 3.556 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c(Cl)c1 ZINC000522981943 863833823 /nfs/dbraw/zinc/83/38/23/863833823.db2.gz PNEHSEISCFSVKH-MRXNPFEDSA-N -1 3 380.853 3.548 20 5 GHBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000129738750 864866722 /nfs/dbraw/zinc/86/67/22/864866722.db2.gz CKHGJWYNIIXRHW-IBGZPJMESA-N -1 3 397.456 3.675 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000174286702 865674226 /nfs/dbraw/zinc/67/42/26/865674226.db2.gz UWRFZRUZLKUANL-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM O=C(CCc1ccc(Cl)s1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523163895 866814259 /nfs/dbraw/zinc/81/42/59/866814259.db2.gz DKWDXGQHRGHNBR-UHFFFAOYSA-N -1 3 376.825 3.693 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 ZINC000444772985 867210272 /nfs/dbraw/zinc/21/02/72/867210272.db2.gz YJPDTEFPTASQCO-UHFFFAOYSA-N -1 3 381.338 3.621 20 5 GHBDHM Cc1cc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(F)cc1F ZINC000445010766 867596877 /nfs/dbraw/zinc/59/68/77/867596877.db2.gz ONIMYWJSRPGGRN-UHFFFAOYSA-N -1 3 392.343 3.658 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000016122635 868541050 /nfs/dbraw/zinc/54/10/50/868541050.db2.gz FZZFDFQQMJSLAI-UHFFFAOYSA-N -1 3 375.450 3.613 20 5 GHBDHM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ncncc1Cl ZINC000446427777 869855152 /nfs/dbraw/zinc/85/51/52/869855152.db2.gz KFCACFJWIHNXEG-UHFFFAOYSA-N -1 3 384.779 3.870 20 5 GHBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000525184858 870126755 /nfs/dbraw/zinc/12/67/55/870126755.db2.gz RFQCRMCGKCTQJJ-UHFFFAOYSA-N -1 3 386.832 3.689 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000618981329 872207753 /nfs/dbraw/zinc/20/77/53/872207753.db2.gz AEVJBDGRYYMTKL-UHFFFAOYSA-N -1 3 389.477 3.859 20 5 GHBDHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000619214581 872452379 /nfs/dbraw/zinc/45/23/79/872452379.db2.gz ZCCXZCBLURGYRT-UHFFFAOYSA-N -1 3 395.371 3.972 20 5 GHBDHM COc1cccc(CS(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c1 ZINC001197382769 873754073 /nfs/dbraw/zinc/75/40/73/873754073.db2.gz MOBWUMFEVPQQFI-UHFFFAOYSA-N -1 3 379.441 3.734 20 5 GHBDHM COC(=O)c1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201222507 875585435 /nfs/dbraw/zinc/58/54/35/875585435.db2.gz NOVZBCOULVDCOO-UHFFFAOYSA-N -1 3 385.145 3.732 20 5 GHBDHM COc1cc(COC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])cc1OC(F)F ZINC000786034543 876421235 /nfs/dbraw/zinc/42/12/35/876421235.db2.gz WGIWSHQGTMAUPP-UHFFFAOYSA-N -1 3 382.275 3.636 20 5 GHBDHM COc1ccc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000175536887 877273373 /nfs/dbraw/zinc/27/33/73/877273373.db2.gz RTWKTPYENUXPRU-UHFFFAOYSA-N -1 3 396.153 3.526 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000617345456 879616222 /nfs/dbraw/zinc/61/62/22/879616222.db2.gz SZROCHSKBWWIKP-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM COc1c(C(=O)[N-]c2c(F)cc(Br)cc2F)cccc1[N+](=O)[O-] ZINC000322682998 887588927 /nfs/dbraw/zinc/58/89/27/887588927.db2.gz KECSZRVLYACRBV-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001132720328 889363260 /nfs/dbraw/zinc/36/32/60/889363260.db2.gz WRIRXRUWSBIDNM-UHFFFAOYSA-N -1 3 387.245 3.929 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000064374360 892092460 /nfs/dbraw/zinc/09/24/60/892092460.db2.gz UBDVFMYLOXBFKZ-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM COc1ccc(C(=O)[N-]c2c(F)ccc(Br)c2F)cc1[N+](=O)[O-] ZINC001134628717 893138246 /nfs/dbraw/zinc/13/82/46/893138246.db2.gz VQIJMGFOKKTPNO-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001185448706 913910304 /nfs/dbraw/zinc/91/03/04/913910304.db2.gz OVKZYBDGHMMCOT-CQSZACIVSA-N -1 3 382.413 3.627 20 5 GHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001185495286 913915680 /nfs/dbraw/zinc/91/56/80/913915680.db2.gz DGTBUFLCYWOIPO-UHFFFAOYSA-N -1 3 382.850 3.941 20 5 GHBDHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000476103675 895201360 /nfs/dbraw/zinc/20/13/60/895201360.db2.gz PRVKBPJYBWQEQH-UHFFFAOYSA-N -1 3 395.371 3.851 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000565473518 895661835 /nfs/dbraw/zinc/66/18/35/895661835.db2.gz YXOVNUJKEYZTHM-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270883 896838847 /nfs/dbraw/zinc/83/88/47/896838847.db2.gz SELMCRJTSQFJKG-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccc([N+](=O)[O-])c2n1 ZINC000826270883 896838856 /nfs/dbraw/zinc/83/88/56/896838856.db2.gz SELMCRJTSQFJKG-LBPRGKRZSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(F)ccc1[N+](=O)[O-] ZINC000800052059 898539604 /nfs/dbraw/zinc/53/96/04/898539604.db2.gz FCJJENTWSSXJFL-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177428 909415300 /nfs/dbraw/zinc/41/53/00/909415300.db2.gz VVPNRGMQURALTA-QMMMGPOBSA-N -1 3 385.346 3.520 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001191340253 917915447 /nfs/dbraw/zinc/91/54/47/917915447.db2.gz JWGMUNUYDISNAN-WCQYABFASA-N -1 3 392.399 3.718 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CC1(Cl)Cl ZINC001191977640 918349879 /nfs/dbraw/zinc/34/98/79/918349879.db2.gz VOKSSOGUCLINAE-MRVPVSSYSA-N -1 3 387.672 3.501 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700335 923219038 /nfs/dbraw/zinc/21/90/38/923219038.db2.gz BRMSUHICJOQGNE-YVLXSGLVSA-N -1 3 383.242 3.575 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c(F)c1 ZINC000409870609 925082360 /nfs/dbraw/zinc/08/23/60/925082360.db2.gz VLAXTGWOOXIPCN-MRXNPFEDSA-N -1 3 384.816 3.817 20 5 GHBDHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000410423067 925632196 /nfs/dbraw/zinc/63/21/96/925632196.db2.gz XFRSGAPRTBVEMN-UHFFFAOYSA-N -1 3 395.195 3.850 20 5 GHBDHM COc1cc(Cc2noc(-c3cc4c(cc3[O-])CCCC4)n2)ccc1[N+](=O)[O-] ZINC000547189400 930781936 /nfs/dbraw/zinc/78/19/36/930781936.db2.gz DWFBYISKSASMQQ-UHFFFAOYSA-N -1 3 381.388 3.829 20 5 GHBDHM O=C1[N-]C(=O)C(=CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000783678585 931615571 /nfs/dbraw/zinc/61/55/71/931615571.db2.gz HLSXFZHGTZCNSL-YRNVUSSQSA-N -1 3 378.171 3.625 20 5 GHBDHM CC(C)Oc1ccc(CC[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001574694653 949085979 /nfs/dbraw/zinc/08/59/79/949085979.db2.gz TZAQFYQCPISFJX-CQSZACIVSA-N -1 3 396.451 3.995 20 5 GHBDHM CC(C)Oc1ccc(CC[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001574694653 949086001 /nfs/dbraw/zinc/08/60/01/949086001.db2.gz TZAQFYQCPISFJX-CQSZACIVSA-N -1 3 396.451 3.995 20 5 GHBDHM CC(C)(C)[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825709 949888294 /nfs/dbraw/zinc/88/82/94/949888294.db2.gz BIWSUXDIUIGISD-ZBFHGGJFSA-N -1 3 381.440 3.950 20 5 GHBDHM CC(C)(C)[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825709 949888316 /nfs/dbraw/zinc/88/83/16/949888316.db2.gz BIWSUXDIUIGISD-ZBFHGGJFSA-N -1 3 381.440 3.950 20 5 GHBDHM CC1(C)C2CCC1(C(=O)Nc1cc(-c3nnn[n-]3)cc([N+](=O)[O-])c1Cl)CC2 ZINC001575624810 950674223 /nfs/dbraw/zinc/67/42/23/950674223.db2.gz OQJQBCDSXHSLGV-UHFFFAOYSA-N -1 3 390.831 3.583 20 5 GHBDHM CC1(C)C2CCC1(C(=O)Nc1cc(-c3nn[n-]n3)cc([N+](=O)[O-])c1Cl)CC2 ZINC001575624810 950674230 /nfs/dbraw/zinc/67/42/30/950674230.db2.gz OQJQBCDSXHSLGV-UHFFFAOYSA-N -1 3 390.831 3.583 20 5 GHBDHM CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N(C)C)cc1 ZINC001625778483 1014151787 /nfs/dbraw/zinc/15/17/87/1014151787.db2.gz NIYHLWRXZSJLHW-LJQANCHMSA-N -1 3 385.464 3.532 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001598507351 992523005 /nfs/dbraw/zinc/52/30/05/992523005.db2.gz OAKMFPONPNCOFL-PXNSSMCTSA-N -1 3 384.432 3.893 20 5 GHBDHM COc1cc(O[C@@H](C)c2ccncc2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645955 1032500977 /nfs/dbraw/zinc/50/09/77/1032500977.db2.gz LNGOFVWWPVUEPW-NSHDSACASA-N -1 3 379.368 3.901 20 5 GHBDHM CC(C)CCOC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227690070 1032517558 /nfs/dbraw/zinc/51/75/58/1032517558.db2.gz FIVHFPFCYHQDPX-KRWDZBQOSA-N -1 3 384.392 3.576 20 5 GHBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228686692 1033043823 /nfs/dbraw/zinc/04/38/23/1033043823.db2.gz QOAWQMGRNSYTEW-GFCCVEGCSA-N -1 3 381.182 3.669 20 5 GHBDHM CCCSc1nc(Cl)c([N+](=O)[O-])c([N-][C@H]2C(=O)Nc3ccc(C)cc32)n1 ZINC001162562912 1025796691 /nfs/dbraw/zinc/79/66/91/1025796691.db2.gz OTKWCSCJKGTGRU-LLVKDONJSA-N -1 3 393.856 3.954 20 5 GHBDHM c1cnc2c(c1)ccc1ccc(-c3noc(-c4cccc(-c5nnn[n-]5)c4)n3)nc12 ZINC001216120713 1029531892 /nfs/dbraw/zinc/53/18/92/1029531892.db2.gz BTJNOSZPQSTJTC-UHFFFAOYSA-N -1 3 392.382 3.680 20 5 GHBDHM c1cnc2c(c1)ccc1ccc(-c3noc(-c4cccc(-c5nn[n-]n5)c4)n3)nc12 ZINC001216120713 1029531906 /nfs/dbraw/zinc/53/19/06/1029531906.db2.gz BTJNOSZPQSTJTC-UHFFFAOYSA-N -1 3 392.382 3.680 20 5 GHBDHM O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153425417 1031585129 /nfs/dbraw/zinc/58/51/29/1031585129.db2.gz REUASXNCAUYUQQ-UHFFFAOYSA-N -1 3 399.362 3.553 20 5 GHBDHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)cc12 ZINC001226536675 1032001370 /nfs/dbraw/zinc/00/13/70/1032001370.db2.gz YJMBMPNWPNTCRY-JTQLQIEISA-N -1 3 385.328 3.584 20 5 GHBDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001208376264 1034875718 /nfs/dbraw/zinc/87/57/18/1034875718.db2.gz YGCDCHZWGUCXMC-CQSZACIVSA-N -1 3 396.440 3.936 20 5 GHBDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001209652556 1035343350 /nfs/dbraw/zinc/34/33/50/1035343350.db2.gz OFIDBQISCTWWLT-LBPRGKRZSA-N -1 3 396.440 3.523 20 5 GHBDHM COc1cc([O-])c(C)c(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(C)=O ZINC001234790259 1040321342 /nfs/dbraw/zinc/32/13/42/1040321342.db2.gz FVEVVIUWNHNSOJ-NSHDSACASA-N -1 3 389.360 3.689 20 5 GHBDHM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001295971472 1045202859 /nfs/dbraw/zinc/20/28/59/1045202859.db2.gz DLEWAXACAQNPFV-UHFFFAOYSA-N -1 3 386.795 3.759 20 5 GHBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cc(Br)ccc1[O-] ZINC001295979070 1045206019 /nfs/dbraw/zinc/20/60/19/1045206019.db2.gz MIDHDCMLLTVPLY-UHFFFAOYSA-N -1 3 383.173 3.773 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c(F)cc1[N+](=O)[O-] ZINC001462897253 1070637349 /nfs/dbraw/zinc/63/73/49/1070637349.db2.gz GQUBIKJREXMPMT-CQSZACIVSA-N -1 3 384.816 3.662 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OCCC(C)C)c1 ZINC001463285914 1070964252 /nfs/dbraw/zinc/96/42/52/1070964252.db2.gz WUIJGXDLHUITGV-UHFFFAOYSA-N -1 3 392.477 3.807 20 5 GHBDHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309093783 1050345318 /nfs/dbraw/zinc/34/53/18/1050345318.db2.gz VBJPAJDEFQCNDW-CYBMUJFWSA-N -1 3 398.868 3.611 20 5 GHBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001309132203 1050389418 /nfs/dbraw/zinc/38/94/18/1050389418.db2.gz STHRSJQVAJMXIH-UHFFFAOYSA-N -1 3 397.884 3.680 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c([N+](=O)[O-])s1 ZINC001309169125 1050424107 /nfs/dbraw/zinc/42/41/07/1050424107.db2.gz MGTNQTAGKMXURF-UHFFFAOYSA-N -1 3 376.459 3.639 20 5 GHBDHM CCc1cc2c(CN3CCc4ccc([N+](=O)[O-])cc4C3)cc(=O)oc2cc1[O-] ZINC001319468951 1055263070 /nfs/dbraw/zinc/26/30/70/1055263070.db2.gz LHGOEVTVCDDNAW-UHFFFAOYSA-N -1 3 380.400 3.528 20 5 GHBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Cc2ccccc2)ccc1[O-] ZINC001448749025 1060261515 /nfs/dbraw/zinc/26/15/15/1060261515.db2.gz KGMVTQJMXLOHKL-UHFFFAOYSA-N -1 3 376.412 3.864 20 5 GHBDHM Cc1cc2nc([N-]C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc(Cl)n2n1 ZINC001437858545 1063942343 /nfs/dbraw/zinc/94/23/43/1063942343.db2.gz JLFOAXYNEQHOPS-UHFFFAOYSA-N -1 3 399.716 3.870 20 5 GHBDHM CC(=O)Nc1cc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)c(F)cc1F ZINC001464557777 1065080336 /nfs/dbraw/zinc/08/03/36/1065080336.db2.gz HYLGRPXCWWHBHM-UHFFFAOYSA-N -1 3 385.273 3.670 20 5 GHBDHM COc1ccc(N(Cc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001464999536 1065317418 /nfs/dbraw/zinc/31/74/18/1065317418.db2.gz GLQJIEKHZMEZKY-UHFFFAOYSA-N -1 3 379.372 3.551 20 5 GHBDHM Cc1ccc(CSc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n[n-]2)cc1 ZINC001472357389 1073443873 /nfs/dbraw/zinc/44/38/73/1073443873.db2.gz KSEVFAVRFINCGH-UHFFFAOYSA-N -1 3 397.460 3.803 20 5 GHBDHM O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472500394 1073515646 /nfs/dbraw/zinc/51/56/46/1073515646.db2.gz DBXXDKIODTWSCM-UHFFFAOYSA-N -1 3 390.399 3.510 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c(Cl)c1 ZINC001474914156 1074629871 /nfs/dbraw/zinc/62/98/71/1074629871.db2.gz XGJQRCAWELZWRU-UHFFFAOYSA-N -1 3 389.260 3.813 20 5 GHBDHM CC(C)(c1ccc(F)cc1)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001475306870 1074829392 /nfs/dbraw/zinc/82/93/92/1074829392.db2.gz JYDPJOBGSZIZAP-UHFFFAOYSA-N -1 3 396.415 3.662 20 5 GHBDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC001475419896 1074868262 /nfs/dbraw/zinc/86/82/62/1074868262.db2.gz BFNHSDQIWYDPHL-VIFPVBQESA-N -1 3 389.886 3.615 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1 ZINC000823639735 599076338 /nfs/dbraw/zinc/07/63/38/599076338.db2.gz GMVRCHCGLCXGQC-GFCCVEGCSA-N -1 3 393.190 3.627 20 5 GHBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1 ZINC000823639735 599076341 /nfs/dbraw/zinc/07/63/41/599076341.db2.gz GMVRCHCGLCXGQC-GFCCVEGCSA-N -1 3 393.190 3.627 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)c1 ZINC000737369870 599177963 /nfs/dbraw/zinc/17/79/63/599177963.db2.gz YFWQJCUBUVMYSU-JTQLQIEISA-N -1 3 398.448 3.522 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)c1 ZINC000737369870 599177965 /nfs/dbraw/zinc/17/79/65/599177965.db2.gz YFWQJCUBUVMYSU-JTQLQIEISA-N -1 3 398.448 3.522 20 5 GHBDHM Cc1csc(-c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)n1 ZINC000737448692 598248761 /nfs/dbraw/zinc/24/87/61/598248761.db2.gz NPDRUEPDGDFESX-UHFFFAOYSA-N -1 3 379.405 3.950 20 5 GHBDHM Cc1csc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)n1 ZINC000737448692 598248762 /nfs/dbraw/zinc/24/87/62/598248762.db2.gz NPDRUEPDGDFESX-UHFFFAOYSA-N -1 3 379.405 3.950 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1-c1nnn[n-]1 ZINC000736675236 598515593 /nfs/dbraw/zinc/51/55/93/598515593.db2.gz HTXAVHGTOHUYQX-UHFFFAOYSA-N -1 3 398.404 3.706 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1-c1nn[n-]n1 ZINC000736675236 598515595 /nfs/dbraw/zinc/51/55/95/598515595.db2.gz HTXAVHGTOHUYQX-UHFFFAOYSA-N -1 3 398.404 3.706 20 5 GHBDHM CC(C)(C)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907908 599505789 /nfs/dbraw/zinc/50/57/89/599505789.db2.gz SPCCXBAUJYOELJ-CYBMUJFWSA-N -1 3 381.440 3.728 20 5 GHBDHM CC(C)(C)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907908 599505791 /nfs/dbraw/zinc/50/57/91/599505791.db2.gz SPCCXBAUJYOELJ-CYBMUJFWSA-N -1 3 381.440 3.728 20 5 GHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nnn[n-]3)s2)c2ccncc2)cc1 ZINC000823634498 606389714 /nfs/dbraw/zinc/38/97/14/606389714.db2.gz IEFXMDWKORYICC-WJDWOHSUSA-N -1 3 376.401 3.820 20 5 GHBDHM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826267470 608160661 /nfs/dbraw/zinc/16/06/61/608160661.db2.gz HODACLWWQCZJFW-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826267470 608160663 /nfs/dbraw/zinc/16/06/63/608160663.db2.gz HODACLWWQCZJFW-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])s1 ZINC001211611778 835766458 /nfs/dbraw/zinc/76/64/58/835766458.db2.gz NEIRUEFWPGGWKK-UHFFFAOYSA-N -1 3 392.861 3.971 20 5 GHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21 ZINC000179777111 835976420 /nfs/dbraw/zinc/97/64/20/835976420.db2.gz HJNCDIBNZNNHOC-UHFFFAOYSA-N -1 3 396.384 3.725 20 5 GHBDHM C[C@@H](Nc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000053762495 840485673 /nfs/dbraw/zinc/48/56/73/840485673.db2.gz CKPNASDXOFPLHK-GFCCVEGCSA-N -1 3 379.376 3.516 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)c(F)c1 ZINC001211667241 841680507 /nfs/dbraw/zinc/68/05/07/841680507.db2.gz RDUXIHWGLDKJEL-FUHWJXTLSA-N -1 3 386.404 3.722 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000509748166 843776334 /nfs/dbraw/zinc/77/63/34/843776334.db2.gz YLCKATQMLKIWSF-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000509762484 843971907 /nfs/dbraw/zinc/97/19/07/843971907.db2.gz PWTVHKWBTPIUIV-NSHDSACASA-N -1 3 388.367 3.962 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCCC2)c(F)c1 ZINC000603958554 861488702 /nfs/dbraw/zinc/48/87/02/861488702.db2.gz LFXBWHUDPBHVDL-UHFFFAOYSA-N -1 3 394.424 3.534 20 5 GHBDHM CSc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1[N+](=O)[O-] ZINC000486740300 850057879 /nfs/dbraw/zinc/05/78/79/850057879.db2.gz PVJGIHOTRVFQHX-UHFFFAOYSA-N -1 3 390.371 3.659 20 5 GHBDHM O=c1[n-]c(SCc2c(F)cccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000504548538 850139337 /nfs/dbraw/zinc/13/93/37/850139337.db2.gz PTLNRMAIPOQUHJ-UHFFFAOYSA-N -1 3 397.391 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c(Cl)c1 ZINC000487082338 850434037 /nfs/dbraw/zinc/43/40/37/850434037.db2.gz GUROTJIDVAEVFV-OAHLLOKOSA-N -1 3 398.893 3.557 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000604476082 862218902 /nfs/dbraw/zinc/21/89/02/862218902.db2.gz MDCGOXDBZXIJNV-OAHLLOKOSA-N -1 3 388.367 3.739 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(Cl)c1 ZINC000515762402 851445098 /nfs/dbraw/zinc/44/50/98/851445098.db2.gz AXTOBGLJTCUUGU-UHFFFAOYSA-N -1 3 382.850 3.941 20 5 GHBDHM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc(Br)c1[O-] ZINC000436887880 852460560 /nfs/dbraw/zinc/46/05/60/852460560.db2.gz LRMRWIDMDJUZRM-UHFFFAOYSA-N -1 3 395.169 3.507 20 5 GHBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000521278687 857809218 /nfs/dbraw/zinc/80/92/18/857809218.db2.gz MZJFRWGMWDRQRO-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000115591392 858579194 /nfs/dbraw/zinc/57/91/94/858579194.db2.gz UUAOFYUBSYVZPB-SFHVURJKSA-N -1 3 397.456 3.561 20 5 GHBDHM O=c1[n-]ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000596247473 858828640 /nfs/dbraw/zinc/82/86/40/858828640.db2.gz PJBYROXDOYLZAP-UHFFFAOYSA-N -1 3 383.326 3.978 20 5 GHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000543391938 859532653 /nfs/dbraw/zinc/53/26/53/859532653.db2.gz MPYBUAGRAXGJMH-UHFFFAOYSA-N -1 3 395.824 3.551 20 5 GHBDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000499758084 859558672 /nfs/dbraw/zinc/55/86/72/859558672.db2.gz PQSMCBXERAVREF-UHFFFAOYSA-N -1 3 398.868 3.522 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000466523066 859860241 /nfs/dbraw/zinc/86/02/41/859860241.db2.gz SQHFTPKIUQUYAT-UHFFFAOYSA-N -1 3 395.371 3.836 20 5 GHBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000469877537 864641935 /nfs/dbraw/zinc/64/19/35/864641935.db2.gz AJEYNYYEHRFWLD-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)c(F)c1 ZINC000736140362 865142651 /nfs/dbraw/zinc/14/26/51/865142651.db2.gz UPDSBDFZKVMCHI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(F)c(F)c1 ZINC000736140362 865142658 /nfs/dbraw/zinc/14/26/58/865142658.db2.gz UPDSBDFZKVMCHI-SECBINFHSA-N -1 3 397.345 3.774 20 5 GHBDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000738552479 865554740 /nfs/dbraw/zinc/55/47/40/865554740.db2.gz NWPYVOLHJYMOCX-UHFFFAOYSA-N -1 3 387.411 3.606 20 5 GHBDHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000183520757 866809174 /nfs/dbraw/zinc/80/91/74/866809174.db2.gz DJKVFQYVONVOHR-QMMMGPOBSA-N -1 3 383.173 3.944 20 5 GHBDHM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444859806 867346971 /nfs/dbraw/zinc/34/69/71/867346971.db2.gz OGBMVQXJMUUCLH-UHFFFAOYSA-N -1 3 392.371 3.508 20 5 GHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1Cl ZINC000462710634 869943655 /nfs/dbraw/zinc/94/36/55/869943655.db2.gz XHDMKCBWFWIQLD-UHFFFAOYSA-N -1 3 389.260 3.731 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001192810672 870689702 /nfs/dbraw/zinc/68/97/02/870689702.db2.gz WHNHOQASVPLSSS-UHOFOFEASA-N -1 3 399.255 3.518 20 5 GHBDHM Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(C)c1 ZINC000619743258 872948926 /nfs/dbraw/zinc/94/89/26/872948926.db2.gz QURFLPDSIBULSV-UHFFFAOYSA-N -1 3 384.417 3.996 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475655744 874308365 /nfs/dbraw/zinc/30/83/65/874308365.db2.gz KURJNAJXSODOID-CRAIPNDOSA-N -1 3 383.448 3.598 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(F)cc2I)c1 ZINC001201221877 875585597 /nfs/dbraw/zinc/58/55/97/875585597.db2.gz FMYCTEBJKWLJQN-UHFFFAOYSA-N -1 3 392.099 3.927 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000030371178 876016186 /nfs/dbraw/zinc/01/61/86/876016186.db2.gz OZEMSTZSQFHDTI-LBPRGKRZSA-N -1 3 386.376 3.626 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000030529822 876203034 /nfs/dbraw/zinc/20/30/34/876203034.db2.gz LYLWTGOSGHTBHQ-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1c([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000616169877 878620576 /nfs/dbraw/zinc/62/05/76/878620576.db2.gz VBXBNXXBSZDMIX-UHFFFAOYSA-N -1 3 390.339 3.744 20 5 GHBDHM CC(C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914570989 884205595 /nfs/dbraw/zinc/20/55/95/884205595.db2.gz BTNRKEPJQSFNKY-CSKARUKUSA-N -1 3 395.459 3.941 20 5 GHBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000163412653 887701874 /nfs/dbraw/zinc/70/18/74/887701874.db2.gz FFJJQSFJQOPHEG-DOTOQJQBSA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1C ZINC000497873869 892596561 /nfs/dbraw/zinc/59/65/61/892596561.db2.gz HUBKVUSKGFTYQL-UHFFFAOYSA-N -1 3 382.413 3.939 20 5 GHBDHM O=C([N-]c1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000170713847 893887699 /nfs/dbraw/zinc/88/76/99/893887699.db2.gz MHBOGQULJYYRFS-UHFFFAOYSA-N -1 3 377.784 3.720 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cc1 ZINC000565788795 895878643 /nfs/dbraw/zinc/87/86/43/895878643.db2.gz GIVFOUYPZBBLRA-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820454998 897332652 /nfs/dbraw/zinc/33/26/52/897332652.db2.gz AQEMHYOKQDOMHP-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820454998 897332663 /nfs/dbraw/zinc/33/26/63/897332663.db2.gz AQEMHYOKQDOMHP-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000800051884 898538676 /nfs/dbraw/zinc/53/86/76/898538676.db2.gz VDIFVIUHMLLIFY-UHFFFAOYSA-N -1 3 382.413 3.878 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000800052387 898539019 /nfs/dbraw/zinc/53/90/19/898539019.db2.gz UHEXIMFCXXCTMR-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1[N+](=O)[O-] ZINC001190788049 917565385 /nfs/dbraw/zinc/56/53/85/917565385.db2.gz GRVAAQLSPSCUTR-ZDUSSCGKSA-N -1 3 376.425 3.706 20 5 GHBDHM O=C([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777952302 934355880 /nfs/dbraw/zinc/35/58/80/934355880.db2.gz RWHWGGNJMRKFFA-IRXDYDNUSA-N -1 3 394.349 3.862 20 5 GHBDHM O=C([N-]Cc1sccc1Br)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777972689 934415183 /nfs/dbraw/zinc/41/51/83/934415183.db2.gz XVDIGESFPDIKCS-UHFFFAOYSA-N -1 3 391.193 3.827 20 5 GHBDHM C[C@@]1(c2ccccc2)CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001575856510 949247460 /nfs/dbraw/zinc/24/74/60/949247460.db2.gz GLOGZKIYHMEECA-HXUWFJFHSA-N -1 3 396.426 3.862 20 5 GHBDHM C[C@@]1(c2ccccc2)CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001575856510 949247479 /nfs/dbraw/zinc/24/74/79/949247479.db2.gz GLOGZKIYHMEECA-HXUWFJFHSA-N -1 3 396.426 3.862 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000903907347 981032111 /nfs/dbraw/zinc/03/21/11/981032111.db2.gz VNXITIUIHZYJAO-JMSVASOKSA-N -1 3 397.269 3.823 20 5 GHBDHM CC1(C)[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC001593835806 996590094 /nfs/dbraw/zinc/59/00/94/996590094.db2.gz RHLYJQJBBCLICI-OALUTQOASA-N -1 3 384.432 3.767 20 5 GHBDHM COc1cc(O[C@@H]2CCC(=O)CC2(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645427 1032499673 /nfs/dbraw/zinc/49/96/73/1032499673.db2.gz HUHLMKAJKDIJLN-QGZVFWFLSA-N -1 3 398.411 3.893 20 5 GHBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001227742404 1032538990 /nfs/dbraw/zinc/53/89/90/1032538990.db2.gz ZKNJAPNHFACKFF-LBPRGKRZSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001227742404 1032539002 /nfs/dbraw/zinc/53/90/02/1032539002.db2.gz ZKNJAPNHFACKFF-LBPRGKRZSA-N -1 3 390.440 3.886 20 5 GHBDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001228959958 1033200846 /nfs/dbraw/zinc/20/08/46/1033200846.db2.gz RAEWFGDUUWAJQU-HNNXBMFYSA-N -1 3 385.420 3.679 20 5 GHBDHM COc1cc(CNc2ccc(Br)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC001461265993 1069470413 /nfs/dbraw/zinc/47/04/13/1069470413.db2.gz QHUQLHUMRWIUOB-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM CCCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001210950853 1027717985 /nfs/dbraw/zinc/71/79/85/1027717985.db2.gz XZBUZHSVSCCNCT-UHFFFAOYSA-N -1 3 392.477 3.951 20 5 GHBDHM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001142146050 1028243519 /nfs/dbraw/zinc/24/35/19/1028243519.db2.gz LAPREJMWHCZDFS-UHFFFAOYSA-N -1 3 386.339 3.819 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)F ZINC001213558068 1028265824 /nfs/dbraw/zinc/26/58/24/1028265824.db2.gz OPMWLAJEMZZCBC-UHFFFAOYSA-N -1 3 390.330 3.573 20 5 GHBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229537839 1033547422 /nfs/dbraw/zinc/54/74/22/1033547422.db2.gz NCCFYPZWRDWNLX-CQSZACIVSA-N -1 3 395.415 3.812 20 5 GHBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229563588 1033558887 /nfs/dbraw/zinc/55/88/87/1033558887.db2.gz CLPDOEYKILMOOM-VIFPVBQESA-N -1 3 392.437 3.685 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3[nH]c(C)c(C)c3c2)c([N+](=O)[O-])s1 ZINC001208585990 1034943107 /nfs/dbraw/zinc/94/31/07/1034943107.db2.gz BPCDSAPXDFRPIT-UHFFFAOYSA-N -1 3 379.463 3.541 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247998415 1038530932 /nfs/dbraw/zinc/53/09/32/1038530932.db2.gz CQCJFVAIGMINLI-UHFFFAOYSA-N -1 3 380.694 3.829 20 5 GHBDHM CSc1cc(F)c(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC001247998288 1038531280 /nfs/dbraw/zinc/53/12/80/1038531280.db2.gz BHTBNNQEZNVGNP-UHFFFAOYSA-N -1 3 392.343 3.897 20 5 GHBDHM C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233498292 1039392938 /nfs/dbraw/zinc/39/29/38/1039392938.db2.gz LLRZACMIOGOBCB-VIFPVBQESA-N -1 3 396.831 3.759 20 5 GHBDHM CCCCOC(=O)[C@@H](C)Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C ZINC001234171545 1039906405 /nfs/dbraw/zinc/90/64/05/1039906405.db2.gz NRCPIDAMZHAHFR-CYBMUJFWSA-N -1 3 399.443 3.517 20 5 GHBDHM CN(c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 ZINC001291844082 1043495462 /nfs/dbraw/zinc/49/54/62/1043495462.db2.gz IQMWJJPKSGDMRY-UHFFFAOYSA-N -1 3 388.399 3.856 20 5 GHBDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001307154061 1043960810 /nfs/dbraw/zinc/96/08/10/1043960810.db2.gz UGFCIDUXCURSML-NXEZZACHSA-N -1 3 398.341 3.789 20 5 GHBDHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001295820916 1045153817 /nfs/dbraw/zinc/15/38/17/1045153817.db2.gz SOFQZWJZQIHORZ-HNNXBMFYSA-N -1 3 379.210 3.944 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3c[nH]c4ccccc43)cs2)n1 ZINC001264229373 1047271941 /nfs/dbraw/zinc/27/19/41/1047271941.db2.gz BTIRLZJGRWVDLQ-UHFFFAOYSA-N -1 3 382.405 3.668 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1Cl ZINC001304820404 1047782407 /nfs/dbraw/zinc/78/24/07/1047782407.db2.gz QPBIANPJNXFVRA-HAQNSBGRSA-N -1 3 390.827 3.508 20 5 GHBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001309591296 1050841277 /nfs/dbraw/zinc/84/12/77/1050841277.db2.gz PVCHEDCFSVALJW-SECBINFHSA-N -1 3 388.795 3.814 20 5 GHBDHM CNc1nccc(C(=O)[N-]c2ccccc2SCC(F)(F)F)c1[N+](=O)[O-] ZINC001440950737 1058665013 /nfs/dbraw/zinc/66/50/13/1058665013.db2.gz YCZYYICTRCLBQC-UHFFFAOYSA-N -1 3 386.355 3.938 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)c([N+](=O)[O-])s1 ZINC001463997084 1064761075 /nfs/dbraw/zinc/76/10/75/1064761075.db2.gz AMUQKXDLCZBSFJ-UHFFFAOYSA-N -1 3 386.882 3.976 20 5 GHBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1[O-] ZINC001464140565 1064853375 /nfs/dbraw/zinc/85/33/75/1064853375.db2.gz XVJKGQKGBXGPRV-UHFFFAOYSA-N -1 3 393.193 3.665 20 5 GHBDHM COc1ccc(-c2nsc([N-]C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])n2)cc1 ZINC001352801100 1065322486 /nfs/dbraw/zinc/32/24/86/1065322486.db2.gz QJYAVPJHCQGXNO-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001474969795 1074659307 /nfs/dbraw/zinc/65/93/07/1074659307.db2.gz OBBMBTXTBZMFKQ-NQBHXWOUSA-N -1 3 392.399 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)c(C(F)(F)F)c1 ZINC001475725605 1075009650 /nfs/dbraw/zinc/00/96/50/1075009650.db2.gz QPWUVTTWJCCZFP-SNVBAGLBSA-N -1 3 378.372 3.615 20 5 GHBDHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819946917 599045794 /nfs/dbraw/zinc/04/57/94/599045794.db2.gz WFMNWEVEFMADNG-UHFFFAOYSA-N -1 3 398.379 3.914 20 5 GHBDHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819946917 599045796 /nfs/dbraw/zinc/04/57/96/599045796.db2.gz WFMNWEVEFMADNG-UHFFFAOYSA-N -1 3 398.379 3.914 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cccc(Oc2ccccn2)c1 ZINC000823629712 599112565 /nfs/dbraw/zinc/11/25/65/599112565.db2.gz FPJLEURRUYYWAF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cccc(Oc2ccccn2)c1 ZINC000823629712 599112569 /nfs/dbraw/zinc/11/25/69/599112569.db2.gz FPJLEURRUYYWAF-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374300 599170179 /nfs/dbraw/zinc/17/01/79/599170179.db2.gz MYMDFPJZVRVVQH-UHFFFAOYSA-N -1 3 381.396 3.625 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374300 599170182 /nfs/dbraw/zinc/17/01/82/599170182.db2.gz MYMDFPJZVRVVQH-UHFFFAOYSA-N -1 3 381.396 3.625 20 5 GHBDHM CN(Cc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736817286 599254360 /nfs/dbraw/zinc/25/43/60/599254360.db2.gz WREAZNNUYOMLEQ-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM CN(Cc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736817286 599254362 /nfs/dbraw/zinc/25/43/62/599254362.db2.gz WREAZNNUYOMLEQ-UHFFFAOYSA-N -1 3 395.810 3.613 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4c3cccc4F)cc(-c3nnn[n-]3)c2c1 ZINC000823645585 599494103 /nfs/dbraw/zinc/49/41/03/599494103.db2.gz UHSRTIVXABMEBZ-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4c3cccc4F)cc(-c3nn[n-]n3)c2c1 ZINC000823645585 599494105 /nfs/dbraw/zinc/49/41/05/599494105.db2.gz UHSRTIVXABMEBZ-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=C([O-])[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833166664 600733950 /nfs/dbraw/zinc/73/39/50/600733950.db2.gz SQBSGFQHMCADHE-OAHLLOKOSA-N -1 3 384.219 3.729 20 5 GHBDHM O=[N+]([O-])c1ncccc1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823651999 606242665 /nfs/dbraw/zinc/24/26/65/606242665.db2.gz VLBIIZGAGDEOPY-UHFFFAOYSA-N -1 3 376.332 3.755 20 5 GHBDHM C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555367 606354795 /nfs/dbraw/zinc/35/47/95/606354795.db2.gz JZOQDISOLIBQKA-NEPJUHHUSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555367 606354796 /nfs/dbraw/zinc/35/47/96/606354796.db2.gz JZOQDISOLIBQKA-NEPJUHHUSA-N -1 3 399.432 3.560 20 5 GHBDHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926979 606479268 /nfs/dbraw/zinc/47/92/68/606479268.db2.gz YJFPJXYVVSXLKS-LBPRGKRZSA-N -1 3 393.329 3.752 20 5 GHBDHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820926979 606479269 /nfs/dbraw/zinc/47/92/69/606479269.db2.gz YJFPJXYVVSXLKS-LBPRGKRZSA-N -1 3 393.329 3.752 20 5 GHBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2nc3ccccc3s2)ccc1-c1nnn[n-]1 ZINC000823634448 606644217 /nfs/dbraw/zinc/64/42/17/606644217.db2.gz FTIHJZPCBYKQNH-AWEZNQCLSA-N -1 3 393.432 3.726 20 5 GHBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCCCC1 ZINC000824783651 609283793 /nfs/dbraw/zinc/28/37/93/609283793.db2.gz HUQYRDAMZWTSCB-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCCCC1 ZINC000824783651 609283795 /nfs/dbraw/zinc/28/37/95/609283795.db2.gz HUQYRDAMZWTSCB-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023346135 834348289 /nfs/dbraw/zinc/34/82/89/834348289.db2.gz CZQOZNHNFOEUCJ-QMMMGPOBSA-N -1 3 393.808 3.975 20 5 GHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023345798 834348378 /nfs/dbraw/zinc/34/83/78/834348378.db2.gz UHHFHOMDUOUXMP-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM CN(Cc1ccccc1)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000472925255 838246423 /nfs/dbraw/zinc/24/64/23/838246423.db2.gz MPENLMBOKYQLBP-UHFFFAOYSA-N -1 3 378.388 3.584 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487371364 842469193 /nfs/dbraw/zinc/46/91/93/842469193.db2.gz VSAJUBPRLNQPGK-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3OC)c2)n1 ZINC000474901221 861383582 /nfs/dbraw/zinc/38/35/82/861383582.db2.gz PGNHUBHWMAVASQ-UHFFFAOYSA-N -1 3 394.387 3.581 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000509748042 843776622 /nfs/dbraw/zinc/77/66/22/843776622.db2.gz XISSNUBAHUCPHV-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM COc1c([O-])ccc(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892254832 846896486 /nfs/dbraw/zinc/89/64/86/846896486.db2.gz WPPBKZKNCMXIHQ-KBPBESRZSA-N -1 3 387.436 3.535 20 5 GHBDHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000178571761 847009289 /nfs/dbraw/zinc/00/92/89/847009289.db2.gz LSPXGHGZHJFFFY-SNVBAGLBSA-N -1 3 394.225 3.623 20 5 GHBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001211546457 847331747 /nfs/dbraw/zinc/33/17/47/847331747.db2.gz JLHXERHWKVNDOL-JQWIXIFHSA-N -1 3 380.388 3.861 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517607500 852146348 /nfs/dbraw/zinc/14/63/48/852146348.db2.gz RPHOSXFPYHDUHY-UHFFFAOYSA-N -1 3 395.272 3.790 20 5 GHBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473844884 852248125 /nfs/dbraw/zinc/24/81/25/852248125.db2.gz DKSDCOGTABLZLR-GOSISDBHSA-N -1 3 394.387 3.636 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000784112080 855636611 /nfs/dbraw/zinc/63/66/11/855636611.db2.gz LWGOGIGASHMBTO-UHFFFAOYSA-N -1 3 393.739 3.504 20 5 GHBDHM COC(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)cc([N+](=O)[O-])c1 ZINC000536443680 855750749 /nfs/dbraw/zinc/75/07/49/855750749.db2.gz GTVAPIHIUDQWSC-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000508060192 856864399 /nfs/dbraw/zinc/86/43/99/856864399.db2.gz GCJKLROJPBTQGX-UHFFFAOYSA-N -1 3 377.187 3.966 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442226541 857617275 /nfs/dbraw/zinc/61/72/75/857617275.db2.gz AILFXHSUZTZTKC-UHFFFAOYSA-N -1 3 376.768 3.944 20 5 GHBDHM O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000486429276 857728263 /nfs/dbraw/zinc/72/82/63/857728263.db2.gz XEEWPRUYFUGZHQ-UHFFFAOYSA-N -1 3 383.314 3.997 20 5 GHBDHM C[C@@H](CCc1ccccc1F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439157786 858578048 /nfs/dbraw/zinc/57/80/48/858578048.db2.gz YOVTUZNPZINJRA-ZDUSSCGKSA-N -1 3 382.395 3.753 20 5 GHBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230831 859146936 /nfs/dbraw/zinc/14/69/36/859146936.db2.gz KXXOMQSUYHVFOV-ONERCXAPSA-N -1 3 383.242 3.575 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(C(F)(F)F)c1 ZINC000466733992 859375957 /nfs/dbraw/zinc/37/59/57/859375957.db2.gz AIYHKWPRBFNECL-UHFFFAOYSA-N -1 3 399.350 3.573 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000543392074 859530971 /nfs/dbraw/zinc/53/09/71/859530971.db2.gz HRONYXZOZRHYBT-ZDUSSCGKSA-N -1 3 393.403 3.824 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1C ZINC000156180618 860705988 /nfs/dbraw/zinc/70/59/88/860705988.db2.gz NWTJKAXWLHTTNL-UHFFFAOYSA-N -1 3 377.466 3.695 20 5 GHBDHM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599175587 860881278 /nfs/dbraw/zinc/88/12/78/860881278.db2.gz DRXASSGNBAEVLZ-ZYHUDNBSSA-N -1 3 378.226 3.840 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2s1 ZINC000734154752 864016376 /nfs/dbraw/zinc/01/63/76/864016376.db2.gz PZYNFOBNZIVDGR-SECBINFHSA-N -1 3 397.865 3.897 20 5 GHBDHM COc1cccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)c1 ZINC000445178047 867899137 /nfs/dbraw/zinc/89/91/37/867899137.db2.gz CXTGPEXYEHAOKR-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM COc1cccc(-c2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000462412913 869394217 /nfs/dbraw/zinc/39/42/17/869394217.db2.gz UQRNZJULPPDJCI-UHFFFAOYSA-N -1 3 398.440 3.749 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)cc1 ZINC000524852005 869678091 /nfs/dbraw/zinc/67/80/91/869678091.db2.gz GDHMPKNVIBPTSP-GOSISDBHSA-N -1 3 392.433 3.698 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccco3)c(-c3ccco3)s2)n1 ZINC000540929891 872518145 /nfs/dbraw/zinc/51/81/45/872518145.db2.gz NOTHAEXHYZVNPS-UHFFFAOYSA-N -1 3 385.361 3.557 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000768837217 873617010 /nfs/dbraw/zinc/61/70/10/873617010.db2.gz TWPOLSWHFLQKJZ-UHFFFAOYSA-N -1 3 394.396 3.889 20 5 GHBDHM CSc1nc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n2ccnc12 ZINC001199819469 875180011 /nfs/dbraw/zinc/18/00/11/875180011.db2.gz SKIAQIMDRMPSIR-UHFFFAOYSA-N -1 3 396.226 3.571 20 5 GHBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786028035 876393331 /nfs/dbraw/zinc/39/33/31/876393331.db2.gz ILXHZENKCFEICC-MRVPVSSYSA-N -1 3 377.740 3.507 20 5 GHBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000180075601 878443027 /nfs/dbraw/zinc/44/30/27/878443027.db2.gz BOQBDWHRFQOYSN-UHFFFAOYSA-N -1 3 399.469 3.555 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000538309383 879230601 /nfs/dbraw/zinc/23/06/01/879230601.db2.gz VTYTYGQEPJTQQC-GOSISDBHSA-N -1 3 383.448 3.503 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2)c(Cl)c1 ZINC000609543520 883335449 /nfs/dbraw/zinc/33/54/49/883335449.db2.gz QUYZWBGUHAVZAR-HOCLYGCPSA-N -1 3 380.853 3.863 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(Cl)s3)cs2)n1 ZINC000191456810 885030254 /nfs/dbraw/zinc/03/02/54/885030254.db2.gz JSIVHNHBAZWNNH-UHFFFAOYSA-N -1 3 383.842 3.902 20 5 GHBDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001184001137 912961442 /nfs/dbraw/zinc/96/14/42/912961442.db2.gz BGACRJRFSFCQRV-YFKPBYRVSA-N -1 3 384.145 3.889 20 5 GHBDHM CC(C)c1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nn1C(C)(C)C ZINC000499019649 886372702 /nfs/dbraw/zinc/37/27/02/886372702.db2.gz MMWSSHUZWAUDCR-UHFFFAOYSA-N -1 3 396.451 3.734 20 5 GHBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829461 887882955 /nfs/dbraw/zinc/88/29/55/887882955.db2.gz GZOOQTHVOPGYDZ-VIFPVBQESA-N -1 3 390.248 3.645 20 5 GHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064342465 891227591 /nfs/dbraw/zinc/22/75/91/891227591.db2.gz PKFCPPCOHAYQPF-UHFFFAOYSA-N -1 3 396.428 3.628 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC001185214731 913733031 /nfs/dbraw/zinc/73/30/31/913733031.db2.gz MYBSLVDMLDSDCC-CYBMUJFWSA-N -1 3 380.853 3.647 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])ccc1Br ZINC000185958622 907857995 /nfs/dbraw/zinc/85/79/95/907857995.db2.gz KSYYHWFJYQIEPQ-UHFFFAOYSA-N -1 3 394.229 3.706 20 5 GHBDHM COc1cc(CNc2ccc(CNC(=O)OC(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000269495985 910288215 /nfs/dbraw/zinc/28/82/15/910288215.db2.gz UITSJWQMASRPPH-UHFFFAOYSA-N -1 3 389.408 3.556 20 5 GHBDHM Cc1nc(NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)cc(=O)[n-]1 ZINC001182506296 911815163 /nfs/dbraw/zinc/81/51/63/911815163.db2.gz VTZYPSKBUYDLTN-UHFFFAOYSA-N -1 3 389.411 3.548 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4ncsc4c3)no2)[n-]nc1C(F)(F)F ZINC001212972537 916160640 /nfs/dbraw/zinc/16/06/40/916160640.db2.gz CEPZDMBSFYOXRH-UHFFFAOYSA-N -1 3 382.283 3.663 20 5 GHBDHM COc1cc(Cl)ccc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973146 916166335 /nfs/dbraw/zinc/16/63/35/916166335.db2.gz SHSSTNTUUDWLAC-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM Cc1cccc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CCC2)c1 ZINC001191736240 918186565 /nfs/dbraw/zinc/18/65/65/918186565.db2.gz BIARRIOBCLGVLQ-UHFFFAOYSA-N -1 3 380.853 3.914 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)c(Cl)c1 ZINC001191756150 918200738 /nfs/dbraw/zinc/20/07/38/918200738.db2.gz INTTTWRBZZLQCX-UHFFFAOYSA-N -1 3 384.816 3.745 20 5 GHBDHM COc1cc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000800272495 919826712 /nfs/dbraw/zinc/82/67/12/919826712.db2.gz RZGCAXGVKJGAOE-MJGOQNOKSA-N -1 3 388.420 3.603 20 5 GHBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000011808981 925636138 /nfs/dbraw/zinc/63/61/38/925636138.db2.gz CENCRJLAHFJGFY-UHFFFAOYSA-N -1 3 392.582 3.679 20 5 GHBDHM Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc(Br)cc1[N+](=O)[O-] ZINC000797580027 932333987 /nfs/dbraw/zinc/33/39/87/932333987.db2.gz JVRWQCDZUXDSBG-UHFFFAOYSA-N -1 3 386.183 3.888 20 5 GHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccc2OC)on1 ZINC000798542026 932697866 /nfs/dbraw/zinc/69/78/66/932697866.db2.gz DCSRSZPWEUIZIB-UHFFFAOYSA-N -1 3 383.360 3.909 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001116702496 933712427 /nfs/dbraw/zinc/71/24/27/933712427.db2.gz GXIPXPDNEYIQJU-UHFFFAOYSA-N -1 3 389.477 3.554 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncc(Cl)cc1Cl ZINC001124610738 935426863 /nfs/dbraw/zinc/42/68/63/935426863.db2.gz ZHHUBNOOLXGZEL-UHFFFAOYSA-N -1 3 384.175 3.710 20 5 GHBDHM CC(C)Oc1ccc(CC[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001574694652 949088655 /nfs/dbraw/zinc/08/86/55/949088655.db2.gz TZAQFYQCPISFJX-AWEZNQCLSA-N -1 3 396.451 3.995 20 5 GHBDHM CC(C)Oc1ccc(CC[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001574694652 949088673 /nfs/dbraw/zinc/08/86/73/949088673.db2.gz TZAQFYQCPISFJX-AWEZNQCLSA-N -1 3 396.451 3.995 20 5 GHBDHM CCOc1cc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC001597035396 986470825 /nfs/dbraw/zinc/47/08/25/986470825.db2.gz JYADIKDLUHAWRN-SPLOXXLWSA-N -1 3 384.432 3.961 20 5 GHBDHM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCN(C(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227701296 1032522373 /nfs/dbraw/zinc/52/23/73/1032522373.db2.gz DORGFCVKFOHRKR-QGZVFWFLSA-N -1 3 384.432 3.701 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C[C@H]21 ZINC001227744338 1032540118 /nfs/dbraw/zinc/54/01/18/1032540118.db2.gz GKRYAKHXQLCGPS-AXAPSJFSSA-N -1 3 388.424 3.638 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C[C@H]21 ZINC001227744338 1032540119 /nfs/dbraw/zinc/54/01/19/1032540119.db2.gz GKRYAKHXQLCGPS-AXAPSJFSSA-N -1 3 388.424 3.638 20 5 GHBDHM COC(=O)c1ccc([O-])c(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n1 ZINC001227824127 1032633505 /nfs/dbraw/zinc/63/35/05/1032633505.db2.gz DODSSSYAZGRVNQ-SFHVURJKSA-N -1 3 380.356 3.650 20 5 GHBDHM CCOc1cc(C(=O)[N-]c2ccc(O)cc2SC)c([N+](=O)[O-])cc1OC ZINC000754740375 1022872277 /nfs/dbraw/zinc/87/22/77/1022872277.db2.gz HHVDXUXCSVYCKA-UHFFFAOYSA-N -1 3 378.406 3.682 20 5 GHBDHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001211171576 1027821086 /nfs/dbraw/zinc/82/10/86/1027821086.db2.gz GWCHPSFILPNZHH-UHFFFAOYSA-N -1 3 389.260 3.997 20 5 GHBDHM Cc1ccc([N-]c2ncc(Br)nc2Br)c([N+](=O)[O-])c1 ZINC001214165336 1028576830 /nfs/dbraw/zinc/57/68/30/1028576830.db2.gz RAQPWVFHZMBEQY-UHFFFAOYSA-N -1 3 388.019 3.962 20 5 GHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001152357915 1031205965 /nfs/dbraw/zinc/20/59/65/1031205965.db2.gz CYOPJMTYNLWUBV-UHFFFAOYSA-N -1 3 395.824 3.551 20 5 GHBDHM Cc1cc(Cl)c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1[N+](=O)[O-] ZINC001158792957 1034273013 /nfs/dbraw/zinc/27/30/13/1034273013.db2.gz VDQXAHCFDCKKMG-HAQNSBGRSA-N -1 3 390.827 3.508 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001248000488 1038533227 /nfs/dbraw/zinc/53/32/27/1038533227.db2.gz SEOKHVAVXQRYHW-UHFFFAOYSA-N -1 3 393.403 3.887 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2csc(C(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC001309738884 1050948341 /nfs/dbraw/zinc/94/83/41/1050948341.db2.gz VCISJGLFJDGRPP-UHFFFAOYSA-N -1 3 398.359 3.601 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001338484300 1058592920 /nfs/dbraw/zinc/59/29/20/1058592920.db2.gz YSKJYGUJUMBGQD-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2cccnc2Cl)ns1 ZINC001437133307 1063767745 /nfs/dbraw/zinc/76/77/45/1063767745.db2.gz MBENYOPOBGUCIX-UHFFFAOYSA-N -1 3 393.787 3.862 20 5 GHBDHM O=c1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nc(C2CC2)[n-]1 ZINC001458601415 1063903044 /nfs/dbraw/zinc/90/30/44/1063903044.db2.gz IUUOXTRPXLJXFA-UHFFFAOYSA-N -1 3 393.403 3.554 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC3)c(F)cc1[N+](=O)[O-] ZINC001463447165 1064358531 /nfs/dbraw/zinc/35/85/31/1064358531.db2.gz QJVPYJUYAISGPV-GFCCVEGCSA-N -1 3 378.425 3.571 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC001474805799 1074571947 /nfs/dbraw/zinc/57/19/47/1074571947.db2.gz UVFAIAGNTOVWPC-UHFFFAOYSA-N -1 3 380.853 3.648 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)c(F)cc1[N+](=O)[O-] ZINC001475168726 1074766865 /nfs/dbraw/zinc/76/68/65/1074766865.db2.gz LNWXOHOIPCHZCO-UHFFFAOYSA-N -1 3 398.843 3.706 20 5 GHBDHM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001475479490 1074889834 /nfs/dbraw/zinc/88/98/34/1074889834.db2.gz NGOWZDBKBOTECS-GHMZBOCLSA-N -1 3 394.415 3.964 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000738357077 598870513 /nfs/dbraw/zinc/87/05/13/598870513.db2.gz AGSDTXONZZGOEY-LJQANCHMSA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCO[C@@H]1CCCc2ccccc21 ZINC000738357077 598870514 /nfs/dbraw/zinc/87/05/14/598870514.db2.gz AGSDTXONZZGOEY-LJQANCHMSA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644612 599056713 /nfs/dbraw/zinc/05/67/13/599056713.db2.gz JLIGEHNJTQPDSQ-YNEHKIRRSA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644612 599056716 /nfs/dbraw/zinc/05/67/16/599056716.db2.gz JLIGEHNJTQPDSQ-YNEHKIRRSA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000738370345 599265923 /nfs/dbraw/zinc/26/59/23/599265923.db2.gz OLTARFYCKUOGNH-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396883 599531145 /nfs/dbraw/zinc/53/11/45/599531145.db2.gz IZZUXCWSCAOULZ-LBPRGKRZSA-N -1 3 394.435 3.563 20 5 GHBDHM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396883 599531148 /nfs/dbraw/zinc/53/11/48/599531148.db2.gz IZZUXCWSCAOULZ-LBPRGKRZSA-N -1 3 394.435 3.563 20 5 GHBDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820555431 606328425 /nfs/dbraw/zinc/32/84/25/606328425.db2.gz LEMGEEZEFXFUBV-SNVBAGLBSA-N -1 3 395.404 3.678 20 5 GHBDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820555431 606328427 /nfs/dbraw/zinc/32/84/27/606328427.db2.gz LEMGEEZEFXFUBV-SNVBAGLBSA-N -1 3 395.404 3.678 20 5 GHBDHM Cc1cnc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000822399813 606331713 /nfs/dbraw/zinc/33/17/13/606331713.db2.gz NETJJMQZXPYEIQ-UHFFFAOYSA-N -1 3 388.387 3.724 20 5 GHBDHM Cc1cnc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822399813 606331714 /nfs/dbraw/zinc/33/17/14/606331714.db2.gz NETJJMQZXPYEIQ-UHFFFAOYSA-N -1 3 388.387 3.724 20 5 GHBDHM CC(C)CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000824235530 608160726 /nfs/dbraw/zinc/16/07/26/608160726.db2.gz IIGBVWWPLFIFGB-UHFFFAOYSA-N -1 3 392.847 3.973 20 5 GHBDHM CC(C)CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000824235530 608160727 /nfs/dbraw/zinc/16/07/27/608160727.db2.gz IIGBVWWPLFIFGB-UHFFFAOYSA-N -1 3 392.847 3.973 20 5 GHBDHM CC1(C)CCC(=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824796258 608160993 /nfs/dbraw/zinc/16/09/93/608160993.db2.gz NLINPPCXMZEKDN-UHFFFAOYSA-N -1 3 390.831 3.893 20 5 GHBDHM CC1(C)CCC(=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824796258 608160994 /nfs/dbraw/zinc/16/09/94/608160994.db2.gz NLINPPCXMZEKDN-UHFFFAOYSA-N -1 3 390.831 3.893 20 5 GHBDHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825029400 608161017 /nfs/dbraw/zinc/16/10/17/608161017.db2.gz RKGBNSHRIFZXSG-KHPPLWFESA-N -1 3 398.810 3.860 20 5 GHBDHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000825029400 608161019 /nfs/dbraw/zinc/16/10/19/608161019.db2.gz RKGBNSHRIFZXSG-KHPPLWFESA-N -1 3 398.810 3.860 20 5 GHBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1Cl ZINC000826260468 608163573 /nfs/dbraw/zinc/16/35/73/608163573.db2.gz PFWYNTBFSIRCDQ-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1Cl ZINC000826260468 608163575 /nfs/dbraw/zinc/16/35/75/608163575.db2.gz PFWYNTBFSIRCDQ-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583758352 834988907 /nfs/dbraw/zinc/98/89/07/834988907.db2.gz FXWARCQVWQWHJA-ARGWCVDVSA-N -1 3 394.468 3.571 20 5 GHBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Br)ccc1[O-] ZINC000179654584 835933863 /nfs/dbraw/zinc/93/38/63/835933863.db2.gz MYQLMELRWQWTFO-UHFFFAOYSA-N -1 3 390.193 3.725 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)c(F)c1 ZINC001211831671 844574302 /nfs/dbraw/zinc/57/43/02/844574302.db2.gz JHSXZJZKDWJWGL-UHFFFAOYSA-N -1 3 392.861 3.750 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000162491039 841200854 /nfs/dbraw/zinc/20/08/54/841200854.db2.gz KURJNAJXSODOID-YJBOKZPZSA-N -1 3 383.448 3.598 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1C(F)(F)F ZINC000511927916 842452824 /nfs/dbraw/zinc/45/28/24/842452824.db2.gz RSHIMNJNBXDZPG-VIFPVBQESA-N -1 3 392.330 3.792 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ncsc1C(F)(F)F ZINC000430694114 842698621 /nfs/dbraw/zinc/69/86/21/842698621.db2.gz JAZSFHMEAAMDGI-UHFFFAOYSA-N -1 3 383.254 3.924 20 5 GHBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001211806260 845566516 /nfs/dbraw/zinc/56/65/16/845566516.db2.gz LRACXIMGLKWZTN-UHFFFAOYSA-N -1 3 384.454 3.551 20 5 GHBDHM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000071967324 846062565 /nfs/dbraw/zinc/06/25/65/846062565.db2.gz KURVAJVKFBAOPK-QGZVFWFLSA-N -1 3 391.811 3.939 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1C ZINC000604037008 861654702 /nfs/dbraw/zinc/65/47/02/861654702.db2.gz UMNFXDBRVLECPK-OAHLLOKOSA-N -1 3 388.367 3.794 20 5 GHBDHM COc1ccccc1C[C@@H](C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000502968533 846671939 /nfs/dbraw/zinc/67/19/39/846671939.db2.gz HRYDMMNZACUZAD-CQSZACIVSA-N -1 3 394.431 3.623 20 5 GHBDHM Cc1nc(-c2ccc(NC(=O)NCc3cccc([N+](=O)[O-])c3C)cc2)cc(=O)[n-]1 ZINC000479570267 847730279 /nfs/dbraw/zinc/73/02/79/847730279.db2.gz VLKIUCXQWVCUGH-UHFFFAOYSA-N -1 3 393.403 3.696 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000792630796 881342683 /nfs/dbraw/zinc/34/26/83/881342683.db2.gz FFHBVVBCZATMSW-UHFFFAOYSA-N -1 3 393.739 3.504 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000763984438 862287335 /nfs/dbraw/zinc/28/73/35/862287335.db2.gz CMKOIVGRCXXFEL-ZDUSSCGKSA-N -1 3 379.372 3.775 20 5 GHBDHM O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000554859955 856257920 /nfs/dbraw/zinc/25/79/20/856257920.db2.gz HHWFFXATIOOXRU-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485931637 857226925 /nfs/dbraw/zinc/22/69/25/857226925.db2.gz JPYAIQWIBWXPLR-SECBINFHSA-N -1 3 397.865 3.897 20 5 GHBDHM COc1cc(CNCc2sc(C)cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000594977272 858337299 /nfs/dbraw/zinc/33/72/99/858337299.db2.gz IVPMSCDDHQGPKG-UHFFFAOYSA-N -1 3 387.255 3.731 20 5 GHBDHM Cc1cc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129128 858729926 /nfs/dbraw/zinc/72/99/26/858729926.db2.gz QHYMNWWKGTZTDM-TZMCWYRMSA-N -1 3 397.353 3.559 20 5 GHBDHM Cc1cc(NC([O-])=C(C[C@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129127 858730042 /nfs/dbraw/zinc/73/00/42/858730042.db2.gz QHYMNWWKGTZTDM-OCCSQVGLSA-N -1 3 397.353 3.559 20 5 GHBDHM CCOC(=O)C[C@@H](c1ccccc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086634 858778458 /nfs/dbraw/zinc/77/84/58/858778458.db2.gz UZUASMYOFPMOEN-KRWDZBQOSA-N -1 3 399.447 3.649 20 5 GHBDHM Cc1ccc(NC(=O)C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)cc1C ZINC000596156771 858806942 /nfs/dbraw/zinc/80/69/42/858806942.db2.gz XDXHQDVVOFELLB-UHFFFAOYSA-N -1 3 384.436 3.923 20 5 GHBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc2ccccc2o1 ZINC000483220440 859228661 /nfs/dbraw/zinc/22/86/61/859228661.db2.gz OEIKRJUPELLWEY-LBPRGKRZSA-N -1 3 376.372 3.895 20 5 GHBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601688937 859462049 /nfs/dbraw/zinc/46/20/49/859462049.db2.gz OVSIJDUNRCVTSP-UHFFFAOYSA-N -1 3 382.270 3.661 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c1 ZINC000727354830 860051552 /nfs/dbraw/zinc/05/15/52/860051552.db2.gz RICADIAFTJMYIO-BQYQJAHWSA-N -1 3 383.223 3.770 20 5 GHBDHM O=C1CCc2cc([N+](=O)[O-])c(NCc3ccc([O-])c(Br)c3)cc2N1 ZINC000155596033 860550393 /nfs/dbraw/zinc/55/03/93/860550393.db2.gz RDPCMPYHULHYDK-UHFFFAOYSA-N -1 3 392.209 3.560 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(F)c(Cl)c1F ZINC000185509156 860869556 /nfs/dbraw/zinc/86/95/56/860869556.db2.gz ZAXWDDAQGBRNGJ-UHFFFAOYSA-N -1 3 384.722 3.940 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444056221 863228522 /nfs/dbraw/zinc/22/85/22/863228522.db2.gz JFMUHFMDCUWXEY-UHFFFAOYSA-N -1 3 389.477 3.690 20 5 GHBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480064873 863938998 /nfs/dbraw/zinc/93/89/98/863938998.db2.gz FBFVAHYPTLXLBP-ZFWWWQNUSA-N -1 3 390.889 3.510 20 5 GHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480633659 865017278 /nfs/dbraw/zinc/01/72/78/865017278.db2.gz YEFYCMBXWWUDAO-HXUWFJFHSA-N -1 3 397.456 3.675 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000608789480 865724976 /nfs/dbraw/zinc/72/49/76/865724976.db2.gz UADFTTLTKQQWAX-WBMJQRKESA-N -1 3 380.404 3.695 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000481076400 865763639 /nfs/dbraw/zinc/76/36/39/865763639.db2.gz STPXEDYBMPJLRX-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000744217784 868672660 /nfs/dbraw/zinc/67/26/60/868672660.db2.gz QIBLKFCIFCYLRW-UHFFFAOYSA-N -1 3 393.399 3.949 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)n1 ZINC000744218634 868674157 /nfs/dbraw/zinc/67/41/57/868674157.db2.gz PFRKDDRNNHIDSU-UHFFFAOYSA-N -1 3 390.355 3.766 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Sc1ccccc1 ZINC000462624668 869783941 /nfs/dbraw/zinc/78/39/41/869783941.db2.gz MIVDPURHXVNPII-NSHDSACASA-N -1 3 386.882 3.707 20 5 GHBDHM CC(C)Cc1nsc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000857649362 882430705 /nfs/dbraw/zinc/43/07/05/882430705.db2.gz UAQWRQDNMRIAJP-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3cc(C)c([N+](=O)[O-])cc3F)c2)[n-]1 ZINC000461964874 871360096 /nfs/dbraw/zinc/36/00/96/871360096.db2.gz LMOALHUIRDWBHV-UHFFFAOYSA-N -1 3 399.382 3.616 20 5 GHBDHM CCOC(=O)c1nc(-c2cccc(CNc3cc(C)c([N+](=O)[O-])cc3F)c2)n[n-]1 ZINC000461964874 871360122 /nfs/dbraw/zinc/36/01/22/871360122.db2.gz LMOALHUIRDWBHV-UHFFFAOYSA-N -1 3 399.382 3.616 20 5 GHBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1C1CCCC1 ZINC000182533744 872520761 /nfs/dbraw/zinc/52/07/61/872520761.db2.gz YYJSVGFOOXCUOI-UHFFFAOYSA-N -1 3 381.435 3.809 20 5 GHBDHM Cc1c([O-])ccc2c(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)oc12 ZINC000768553942 873382229 /nfs/dbraw/zinc/38/22/29/873382229.db2.gz SVLQZHQYIUXRTJ-UHFFFAOYSA-N -1 3 380.400 3.880 20 5 GHBDHM O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770721713 874832398 /nfs/dbraw/zinc/83/23/98/874832398.db2.gz HACBCCFIERKKJW-UHFFFAOYSA-N -1 3 388.399 3.857 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3cccc(Br)n3)no2)c1 ZINC001199819256 875180231 /nfs/dbraw/zinc/18/02/31/875180231.db2.gz MVWBQVKDIKSVTR-UHFFFAOYSA-N -1 3 377.154 3.857 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Cl)cc2I)c1 ZINC001199819089 875180455 /nfs/dbraw/zinc/18/04/55/875180455.db2.gz KSEMTDOYVXZIKW-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM CN(Cc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000853712794 879234720 /nfs/dbraw/zinc/23/47/20/879234720.db2.gz KXRVGKPTBLVISG-UHFFFAOYSA-N -1 3 388.424 3.674 20 5 GHBDHM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1Cl ZINC000790394283 879665951 /nfs/dbraw/zinc/66/59/51/879665951.db2.gz PPIDLQPHAYTXCJ-UHFFFAOYSA-N -1 3 399.812 3.882 20 5 GHBDHM CSc1cc2c(cc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCCO2 ZINC000609857575 883737157 /nfs/dbraw/zinc/73/71/57/883737157.db2.gz XPJTUNFGKPLNPH-UHFFFAOYSA-N -1 3 380.809 3.994 20 5 GHBDHM CCn1c(=O)c2cc3ccccc3cc2nc1SCc1nc(C)cc(=O)[n-]1 ZINC000761861258 884878249 /nfs/dbraw/zinc/87/82/49/884878249.db2.gz PERNCGHNCWVMME-UHFFFAOYSA-N -1 3 378.457 3.666 20 5 GHBDHM CSc1c(F)cccc1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001130857556 885267459 /nfs/dbraw/zinc/26/74/59/885267459.db2.gz FFRARYBWMBENRI-UHFFFAOYSA-N -1 3 387.396 3.597 20 5 GHBDHM C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001184001136 912961111 /nfs/dbraw/zinc/96/11/11/912961111.db2.gz BGACRJRFSFCQRV-RXMQYKEDSA-N -1 3 384.145 3.889 20 5 GHBDHM COCc1c2ccccc2oc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499031253 886381873 /nfs/dbraw/zinc/38/18/73/886381873.db2.gz QIDSNLGLIGFBQX-UHFFFAOYSA-N -1 3 392.371 3.552 20 5 GHBDHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000811394532 889536304 /nfs/dbraw/zinc/53/63/04/889536304.db2.gz UIUXPTGBNQPRRP-QMMMGPOBSA-N -1 3 393.808 3.975 20 5 GHBDHM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062730 890898567 /nfs/dbraw/zinc/89/85/67/890898567.db2.gz WHSMNWRMVORNSG-LECLMCCNSA-N -1 3 381.432 3.769 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000815122828 893455657 /nfs/dbraw/zinc/45/56/57/893455657.db2.gz PUTMKHQYQYFJQK-UHFFFAOYSA-N -1 3 391.468 3.523 20 5 GHBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)nc21 ZINC001134940367 893645087 /nfs/dbraw/zinc/64/50/87/893645087.db2.gz CYCXMPGBOXGQHE-UHFFFAOYSA-N -1 3 382.376 3.517 20 5 GHBDHM O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001137122244 893666707 /nfs/dbraw/zinc/66/67/07/893666707.db2.gz ULGWQTRUAAKGCU-UHFFFAOYSA-N -1 3 381.392 3.872 20 5 GHBDHM CCOc1cc([N-]C(=O)c2nc(C3CC3)oc2C)c([N+](=O)[O-])cc1OCC ZINC000563565390 893911571 /nfs/dbraw/zinc/91/15/71/893911571.db2.gz RSYFRJGDSGTEPC-UHFFFAOYSA-N -1 3 375.381 3.818 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455673 897332628 /nfs/dbraw/zinc/33/26/28/897332628.db2.gz LBYZBNVZTPXPMP-VIFPVBQESA-N -1 3 376.323 3.549 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455673 897332636 /nfs/dbraw/zinc/33/26/36/897332636.db2.gz LBYZBNVZTPXPMP-VIFPVBQESA-N -1 3 376.323 3.549 20 5 GHBDHM Cc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)ccc1[N+](=O)[O-] ZINC000800050916 898537541 /nfs/dbraw/zinc/53/75/41/898537541.db2.gz CXGOIYNDIQDVKF-UHFFFAOYSA-N -1 3 394.302 3.742 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000800147546 898664475 /nfs/dbraw/zinc/66/44/75/898664475.db2.gz UUZGBLGSVLZXQO-UHFFFAOYSA-N -1 3 398.144 3.965 20 5 GHBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001186058691 914287995 /nfs/dbraw/zinc/28/79/95/914287995.db2.gz SJPBIGUVWNNHGM-INIZCTEOSA-N -1 3 378.425 3.825 20 5 GHBDHM C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000600798362 902932250 /nfs/dbraw/zinc/93/22/50/902932250.db2.gz ALNBZKCGHNBLCF-YJBOKZPZSA-N -1 3 383.448 3.905 20 5 GHBDHM Cc1cc(Cl)cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837446 903529473 /nfs/dbraw/zinc/52/94/73/903529473.db2.gz LKPKJFIBIBXOLI-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cc(Cl)cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837446 903529481 /nfs/dbraw/zinc/52/94/81/903529481.db2.gz LKPKJFIBIBXOLI-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000268431745 909876285 /nfs/dbraw/zinc/87/62/85/909876285.db2.gz BCADOCAMWQOCDF-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cc(F)cc(Cl)c3)no2)[n-]nc1C(F)(F)F ZINC001212973309 916169306 /nfs/dbraw/zinc/16/93/06/916169306.db2.gz VWQJJSUVQINXJB-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001189569282 916744633 /nfs/dbraw/zinc/74/46/33/916744633.db2.gz CCDDHMDZFYUCOT-LLVKDONJSA-N -1 3 384.454 3.804 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001190025486 917063478 /nfs/dbraw/zinc/06/34/78/917063478.db2.gz SNAMTEZZVBTXGC-CABCVRRESA-N -1 3 380.491 3.969 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C1CC1 ZINC001191340252 917916140 /nfs/dbraw/zinc/91/61/40/917916140.db2.gz JWGMUNUYDISNAN-DGCLKSJQSA-N -1 3 392.399 3.718 20 5 GHBDHM CCCc1nc(C)c(C(=O)[N-]c2cc(OCC)c(OCC)cc2[N+](=O)[O-])o1 ZINC000298123385 920233304 /nfs/dbraw/zinc/23/33/04/920233304.db2.gz PREMNWYCWWOWBX-UHFFFAOYSA-N -1 3 377.397 3.893 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc([N+](=O)[O-])c1F ZINC000800845070 920522634 /nfs/dbraw/zinc/52/26/34/920522634.db2.gz ZIEMGOJCDJRGGD-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM CC(C)COC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000777976681 934422292 /nfs/dbraw/zinc/42/22/92/934422292.db2.gz PDJYSLZUBAGGBD-OAHLLOKOSA-N -1 3 382.363 3.810 20 5 GHBDHM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(Cl)c(Cl)[n-]1 ZINC000828612935 935675911 /nfs/dbraw/zinc/67/59/11/935675911.db2.gz BNOYSUPXQQMFIC-UHFFFAOYSA-N -1 3 383.147 3.637 20 5 GHBDHM O=C([O-])[C@@H](c1ccccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001326552281 961110617 /nfs/dbraw/zinc/11/06/17/961110617.db2.gz LZZQQYBKNRVPSZ-GOSISDBHSA-N -1 3 390.823 3.917 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC001594964179 982717496 /nfs/dbraw/zinc/71/74/96/982717496.db2.gz FXWARCQVWQWHJA-YRVVQQKDSA-N -1 3 394.468 3.571 20 5 GHBDHM CCc1ccc([C@@H]2CCN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)cc1 ZINC001597516968 988130519 /nfs/dbraw/zinc/13/05/19/988130519.db2.gz IXHGGQWTMFUKMJ-GOSISDBHSA-N -1 3 384.432 3.610 20 5 GHBDHM C[C@](NC[C@@H](O)c1ccc(Cl)cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285961 994639657 /nfs/dbraw/zinc/63/96/57/994639657.db2.gz MEZGIMMHUNBSMJ-NVXWUHKLSA-N -1 3 399.230 3.525 20 5 GHBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267383 999036974 /nfs/dbraw/zinc/03/69/74/999036974.db2.gz XGUREBFJCLTFHN-CZUORRHYSA-N -1 3 388.395 3.575 20 5 GHBDHM Cc1oc2ccccc2c1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000469000424 1016323082 /nfs/dbraw/zinc/32/30/82/1016323082.db2.gz PATKUQZBOYYPRY-UHFFFAOYSA-N -1 3 376.372 3.643 20 5 GHBDHM COc1cc(O[C@H]2CCC(=O)CC2(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645425 1032500076 /nfs/dbraw/zinc/50/00/76/1032500076.db2.gz HUHLMKAJKDIJLN-KRWDZBQOSA-N -1 3 398.411 3.893 20 5 GHBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000194140399 1020962853 /nfs/dbraw/zinc/96/28/53/1020962853.db2.gz XNFRHEBCMUGJTK-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228671231 1033035950 /nfs/dbraw/zinc/03/59/50/1033035950.db2.gz FQFDUMSDFWONBK-OLZOCXBDSA-N -1 3 390.440 3.946 20 5 GHBDHM Cc1cc2nc(O[C@@H](C(=O)c3ccccn3)c3ccccn3)[n-]c2cc1[N+](=O)[O-] ZINC001228673257 1033036863 /nfs/dbraw/zinc/03/68/63/1033036863.db2.gz DNVRFATYTAQZQC-LJQANCHMSA-N -1 3 389.371 3.573 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H](C(=O)c3ccccn3)c3ccccn3)nc2cc1[N+](=O)[O-] ZINC001228673257 1033036879 /nfs/dbraw/zinc/03/68/79/1033036879.db2.gz DNVRFATYTAQZQC-LJQANCHMSA-N -1 3 389.371 3.573 20 5 GHBDHM Cc1cc2[n-]c(OC3CC(C(=O)OCc4ccccc4)C3)nc2cc1[N+](=O)[O-] ZINC001228673321 1033037579 /nfs/dbraw/zinc/03/75/79/1033037579.db2.gz FYDCQVPVEYKADU-UHFFFAOYSA-N -1 3 381.388 3.680 20 5 GHBDHM COc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC001162095690 1025602983 /nfs/dbraw/zinc/60/29/83/1025602983.db2.gz XNLVIPKLOUODPB-UHFFFAOYSA-N -1 3 381.388 3.895 20 5 GHBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001210952828 1027717514 /nfs/dbraw/zinc/71/75/14/1027717514.db2.gz RMIFXAUTSVSKQH-GFCCVEGCSA-N -1 3 392.778 3.970 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])c1ccc(Cl)s1 ZINC001211366689 1027923210 /nfs/dbraw/zinc/92/32/10/1027923210.db2.gz QXTFXWAUXAKXII-VIFPVBQESA-N -1 3 397.865 3.897 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H]2CC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218182035 1030809829 /nfs/dbraw/zinc/80/98/29/1030809829.db2.gz SPCHZCXKXDEKLJ-ZDUSSCGKSA-N -1 3 381.428 3.607 20 5 GHBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001462813152 1070564234 /nfs/dbraw/zinc/56/42/34/1070564234.db2.gz GBWFACLJRCTIGA-ZWNOBZJWSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC001297158734 1045467306 /nfs/dbraw/zinc/46/73/06/1045467306.db2.gz JBNXMLJANMMKBJ-UHFFFAOYSA-N -1 3 378.388 3.868 20 5 GHBDHM COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463282775 1070961432 /nfs/dbraw/zinc/96/14/32/1070961432.db2.gz SRRQHQYMKZALOG-MRXNPFEDSA-N -1 3 396.440 3.808 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309358621 1050633626 /nfs/dbraw/zinc/63/36/26/1050633626.db2.gz TYJZQIVMKVXECA-CYBMUJFWSA-N -1 3 382.404 3.857 20 5 GHBDHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cc2)cc(=O)[n-]1 ZINC001323283388 1056948674 /nfs/dbraw/zinc/94/86/74/1056948674.db2.gz PXHVQLXNOSNCSE-UHFFFAOYSA-N -1 3 391.387 3.614 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001463486630 1064397027 /nfs/dbraw/zinc/39/70/27/1064397027.db2.gz AKMRJHLFSZWVFF-CQSZACIVSA-N -1 3 380.388 3.693 20 5 GHBDHM CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001464147962 1064860203 /nfs/dbraw/zinc/86/02/03/1064860203.db2.gz KFGPKMCKOCTHOA-GOSISDBHSA-N -1 3 394.880 3.894 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)s2)c(F)cc1[N+](=O)[O-] ZINC001464461671 1065023709 /nfs/dbraw/zinc/02/37/09/1065023709.db2.gz XSFPFBNHSSOROP-UHFFFAOYSA-N -1 3 386.470 3.880 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC001474917290 1074631084 /nfs/dbraw/zinc/63/10/84/1074631084.db2.gz HTBNRKUJJOAXHL-UHFFFAOYSA-N -1 3 386.351 3.581 20 5 GHBDHM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001475098431 1074735908 /nfs/dbraw/zinc/73/59/08/1074735908.db2.gz KCIZKFKLIKMVQR-ZDUSSCGKSA-N -1 3 396.440 3.698 20 5 GHBDHM CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001475103100 1074738612 /nfs/dbraw/zinc/73/86/12/1074738612.db2.gz GYGDBYSPZKMYDS-ZDUSSCGKSA-N -1 3 380.441 3.767 20 5 GHBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC001475251083 1074804904 /nfs/dbraw/zinc/80/49/04/1074804904.db2.gz HONYWMPPERLCLN-WOPDTQHZSA-N -1 3 394.415 3.964 20 5 GHBDHM Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cccc1-c1nnn[n-]1 ZINC000822107669 607271702 /nfs/dbraw/zinc/27/17/02/607271702.db2.gz BGVPXWIZDIXYLT-UHFFFAOYSA-N -1 3 380.389 3.550 20 5 GHBDHM Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cccc1-c1nn[n-]n1 ZINC000822107669 607271703 /nfs/dbraw/zinc/27/17/03/607271703.db2.gz BGVPXWIZDIXYLT-UHFFFAOYSA-N -1 3 380.389 3.550 20 5 GHBDHM O=[N+]([O-])c1ccc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000738367536 598796813 /nfs/dbraw/zinc/79/68/13/598796813.db2.gz VIZMUVXCHPDDIH-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM Cc1ccc([C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000738570062 599708190 /nfs/dbraw/zinc/70/81/90/599708190.db2.gz XQGHZGHONAOHGT-AHKGRUIUSA-N -1 3 385.420 3.843 20 5 GHBDHM Cc1cc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000822191687 606431091 /nfs/dbraw/zinc/43/10/91/606431091.db2.gz OFHMMPWQTPIFMB-LLVKDONJSA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1cc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000822191687 606431093 /nfs/dbraw/zinc/43/10/93/606431093.db2.gz OFHMMPWQTPIFMB-LLVKDONJSA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822207055 606719903 /nfs/dbraw/zinc/71/99/03/606719903.db2.gz JLZDGNGDUGNCGQ-ZDUSSCGKSA-N -1 3 394.439 3.601 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000820456119 606732747 /nfs/dbraw/zinc/73/27/47/606732747.db2.gz QDIVDPUWBXPXQR-CYBMUJFWSA-N -1 3 379.424 3.548 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000820456119 606732748 /nfs/dbraw/zinc/73/27/48/606732748.db2.gz QDIVDPUWBXPXQR-CYBMUJFWSA-N -1 3 379.424 3.548 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)nc1-c1ccccc1 ZINC000826498789 608049669 /nfs/dbraw/zinc/04/96/69/608049669.db2.gz JQZVMGGGIUNHHS-UHFFFAOYSA-N -1 3 391.366 3.588 20 5 GHBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)nc1-c1ccccc1 ZINC000826498789 608049670 /nfs/dbraw/zinc/04/96/70/608049670.db2.gz JQZVMGGGIUNHHS-UHFFFAOYSA-N -1 3 391.366 3.588 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000826498794 608077402 /nfs/dbraw/zinc/07/74/02/608077402.db2.gz KBVWAEBTUWYMJP-INIZCTEOSA-N -1 3 391.391 3.648 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000826498794 608077403 /nfs/dbraw/zinc/07/74/03/608077403.db2.gz KBVWAEBTUWYMJP-INIZCTEOSA-N -1 3 391.391 3.648 20 5 GHBDHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824342720 608162308 /nfs/dbraw/zinc/16/23/08/608162308.db2.gz SVUCTWZCBLXOGO-XYPYZODXSA-N -1 3 392.847 3.829 20 5 GHBDHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824342720 608162310 /nfs/dbraw/zinc/16/23/10/608162310.db2.gz SVUCTWZCBLXOGO-XYPYZODXSA-N -1 3 392.847 3.829 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1OC(F)F ZINC000826499566 608173306 /nfs/dbraw/zinc/17/33/06/608173306.db2.gz NNKBJHGOHRLQFY-UHFFFAOYSA-N -1 3 383.698 3.822 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1OC(F)F ZINC000826499566 608173308 /nfs/dbraw/zinc/17/33/08/608173308.db2.gz NNKBJHGOHRLQFY-UHFFFAOYSA-N -1 3 383.698 3.822 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826497371 608234728 /nfs/dbraw/zinc/23/47/28/608234728.db2.gz FERJRRAJSQAUCR-SFHVURJKSA-N -1 3 391.366 3.511 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826497371 608234729 /nfs/dbraw/zinc/23/47/29/608234729.db2.gz FERJRRAJSQAUCR-SFHVURJKSA-N -1 3 391.366 3.511 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])c2)n1 ZINC000175734667 835042886 /nfs/dbraw/zinc/04/28/86/835042886.db2.gz NBTPMWIZOPGEDK-UHFFFAOYSA-N -1 3 396.378 3.607 20 5 GHBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000472350754 835318665 /nfs/dbraw/zinc/31/86/65/835318665.db2.gz QRECWUZRLARLKQ-UHFFFAOYSA-N -1 3 390.889 3.514 20 5 GHBDHM COc1cc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c([N+](=O)[O-])cc1[O-] ZINC000375829271 836024779 /nfs/dbraw/zinc/02/47/79/836024779.db2.gz IWECEQCGXBBFIS-MRXNPFEDSA-N -1 3 386.452 3.788 20 5 GHBDHM CN(c1ccccc1)c1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417580197 841024964 /nfs/dbraw/zinc/02/49/64/841024964.db2.gz CTVHBXBHOYJHAJ-AWEZNQCLSA-N -1 3 397.353 3.858 20 5 GHBDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000055622114 861271579 /nfs/dbraw/zinc/27/15/79/861271579.db2.gz FWFPQYQZOPLFRM-UHFFFAOYSA-N -1 3 397.840 3.706 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512143788 842632857 /nfs/dbraw/zinc/63/28/57/842632857.db2.gz CKSKTFGFWZSYDW-SNVBAGLBSA-N -1 3 390.870 3.748 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])c(Cl)c1)c1sccc1S(=O)(=O)C(F)F ZINC000108171701 844820808 /nfs/dbraw/zinc/82/08/08/844820808.db2.gz BTFURYMPUGKUEX-UHFFFAOYSA-N -1 3 396.780 3.558 20 5 GHBDHM COc1cc(CNCc2ccncc2OCCC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000583344482 849678660 /nfs/dbraw/zinc/67/86/60/849678660.db2.gz OYILWSRPYCIIBJ-UHFFFAOYSA-N -1 3 389.452 3.809 20 5 GHBDHM COC(=O)c1sccc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439247163 853456092 /nfs/dbraw/zinc/45/60/92/853456092.db2.gz MUNPAOSECZWEAZ-UHFFFAOYSA-N -1 3 383.385 3.757 20 5 GHBDHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O ZINC000588100682 854127418 /nfs/dbraw/zinc/12/74/18/854127418.db2.gz ILZXIGZNWGLDJG-UHFFFAOYSA-N -1 3 390.735 3.739 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)CF)c([N+](=O)[O-])c2)c(C)c1 ZINC000588851305 854549540 /nfs/dbraw/zinc/54/95/40/854549540.db2.gz NKUILMPAHICTLQ-CYBMUJFWSA-N -1 3 381.429 3.782 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc(C(C)C)ncc1Br ZINC000905192276 856195405 /nfs/dbraw/zinc/19/54/05/856195405.db2.gz YDSNMZXFKPPKBQ-UHFFFAOYSA-N -1 3 397.204 3.971 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@H]12 ZINC000594733667 858268133 /nfs/dbraw/zinc/26/81/33/858268133.db2.gz BDLLSILEYKEAHK-KZNAEPCWSA-N -1 3 385.420 3.715 20 5 GHBDHM O=c1[n-]ccc(NCCCOc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000596175351 858813852 /nfs/dbraw/zinc/81/38/52/858813852.db2.gz NOGCXXXWFTXIJD-UHFFFAOYSA-N -1 3 392.721 3.644 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411615 859747148 /nfs/dbraw/zinc/74/71/48/859747148.db2.gz FNPSZUMCGNVJIV-UHFFFAOYSA-N -1 3 381.841 3.870 20 5 GHBDHM C[C@]1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCCc2ccccc21 ZINC000609202671 881716030 /nfs/dbraw/zinc/71/60/30/881716030.db2.gz VHWWUYHBHAPSLU-NRFANRHFSA-N -1 3 376.416 3.640 20 5 GHBDHM C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c2c([O-])cccc21 ZINC000186256784 864510479 /nfs/dbraw/zinc/51/04/79/864510479.db2.gz HIEZQUFLTZUJGA-CYBMUJFWSA-N -1 3 378.388 3.640 20 5 GHBDHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000608789478 865725152 /nfs/dbraw/zinc/72/51/52/865725152.db2.gz UADFTTLTKQQWAX-LRDDRELGSA-N -1 3 380.404 3.695 20 5 GHBDHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000499286975 881911823 /nfs/dbraw/zinc/91/18/23/881911823.db2.gz RRULACXQTNTVDZ-CYBMUJFWSA-N -1 3 392.481 3.624 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001192798092 870679558 /nfs/dbraw/zinc/67/95/58/870679558.db2.gz FTIUAZBACIUIFO-LLVKDONJSA-N -1 3 396.852 3.613 20 5 GHBDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446939771 870743505 /nfs/dbraw/zinc/74/35/05/870743505.db2.gz BNDOEWXIXRCTBY-SNVBAGLBSA-N -1 3 392.355 3.506 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)cc2F)c(F)cc1[N+](=O)[O-] ZINC001194814171 871968456 /nfs/dbraw/zinc/96/84/56/871968456.db2.gz ZJIFJLJELHXCAU-UHFFFAOYSA-N -1 3 388.367 3.534 20 5 GHBDHM CC(C)(C)n1cnc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000464438258 873876482 /nfs/dbraw/zinc/87/64/82/873876482.db2.gz QPLVIKKZTKZIHR-UHFFFAOYSA-N -1 3 395.419 3.773 20 5 GHBDHM CN(C)C(=O)c1cc(Br)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229250 875565553 /nfs/dbraw/zinc/56/55/53/875565553.db2.gz JFTAUPYVZXBPPW-UHFFFAOYSA-N -1 3 380.198 3.508 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC001201222415 875585717 /nfs/dbraw/zinc/58/57/17/875585717.db2.gz ODICAWPSQWHYDU-UHFFFAOYSA-N -1 3 383.326 3.899 20 5 GHBDHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786139074 876469199 /nfs/dbraw/zinc/46/91/99/876469199.db2.gz XITXKLOZNOZTPM-SNVBAGLBSA-N -1 3 386.385 3.699 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(Br)c(Cl)c1 ZINC000790171483 879504923 /nfs/dbraw/zinc/50/49/23/879504923.db2.gz VHNXAPAZEYSXEE-UHFFFAOYSA-N -1 3 392.543 3.936 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)c(Cl)c1 ZINC000520155680 879905815 /nfs/dbraw/zinc/90/58/15/879905815.db2.gz SAGFCFIKOOIJOV-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000520269689 880557976 /nfs/dbraw/zinc/55/79/76/880557976.db2.gz NCXVCKJLCKRDPX-UHFFFAOYSA-N -1 3 398.893 3.851 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1cccc(Cl)c1 ZINC000127645245 884912300 /nfs/dbraw/zinc/91/23/00/884912300.db2.gz YJCDOJXADYLCHO-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195101910 886362029 /nfs/dbraw/zinc/36/20/29/886362029.db2.gz INBSLUZCTZNMCE-UHFFFAOYSA-N -1 3 385.420 3.594 20 5 GHBDHM CC(C)c1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514486 889708651 /nfs/dbraw/zinc/70/86/51/889708651.db2.gz LPOWMWDNVHOMDO-CQSZACIVSA-N -1 3 387.402 3.609 20 5 GHBDHM O=C(Oc1ccc(F)cc1Br)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916855986 890294523 /nfs/dbraw/zinc/29/45/23/890294523.db2.gz OUBUBFJINQYTEX-UHFFFAOYSA-N -1 3 380.129 3.592 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000565473517 895661684 /nfs/dbraw/zinc/66/16/84/895661684.db2.gz YXOVNUJKEYZTHM-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136219175 896703467 /nfs/dbraw/zinc/70/34/67/896703467.db2.gz LWDXHJPWGXPICC-QWHCGFSZSA-N -1 3 377.194 3.805 20 5 GHBDHM COc1ccccc1[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCCC1 ZINC000569813487 898965506 /nfs/dbraw/zinc/96/55/06/898965506.db2.gz HSGQWHWYZSPMGX-GOSISDBHSA-N -1 3 385.420 3.551 20 5 GHBDHM O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000826498250 901302392 /nfs/dbraw/zinc/30/23/92/901302392.db2.gz MXWAYKVSIRLCQM-UHFFFAOYSA-N -1 3 396.838 3.718 20 5 GHBDHM CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123659439 901960543 /nfs/dbraw/zinc/96/05/43/901960543.db2.gz HCBAHWJNMYTDMU-NSHDSACASA-N -1 3 386.437 3.531 20 5 GHBDHM CSc1ccc([O-])c(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001176133310 907926331 /nfs/dbraw/zinc/92/63/31/907926331.db2.gz GYOGKPGRTGFAHS-UHFFFAOYSA-N -1 3 397.250 3.715 20 5 GHBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000303866171 915209514 /nfs/dbraw/zinc/20/95/14/915209514.db2.gz UNBRVRRMAZSXBA-UHFFFAOYSA-N -1 3 386.832 3.689 20 5 GHBDHM CC(C)Oc1ccccc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972582 916160757 /nfs/dbraw/zinc/16/07/57/916160757.db2.gz FGRLPNGEQJLVJI-UHFFFAOYSA-N -1 3 383.286 3.841 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4ccncc4c3)no2)[n-]nc1C(F)(F)F ZINC001212972782 916162718 /nfs/dbraw/zinc/16/27/18/916162718.db2.gz JUBGZQRTPNFZNU-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4ccncc4c3)no2)n[n-]c1C(F)(F)F ZINC001212972782 916162721 /nfs/dbraw/zinc/16/27/21/916162721.db2.gz JUBGZQRTPNFZNU-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001189382949 916578484 /nfs/dbraw/zinc/57/84/84/916578484.db2.gz AZCJWAYARZFEGC-GJZGRUSLSA-N -1 3 394.880 3.938 20 5 GHBDHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928357 920612513 /nfs/dbraw/zinc/61/25/13/920612513.db2.gz MEDZPGOESNQZGD-UHFFFAOYSA-N -1 3 378.303 3.862 20 5 GHBDHM O=C([N-]Cc1nnc(-c2ccccc2)s1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371538251 924645618 /nfs/dbraw/zinc/64/56/18/924645618.db2.gz KSCFOPOHLNLZPX-UHFFFAOYSA-N -1 3 390.371 3.522 20 5 GHBDHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000467711098 929324282 /nfs/dbraw/zinc/32/42/82/929324282.db2.gz QOVILOLKMNAXSW-UHFFFAOYSA-N -1 3 390.355 3.680 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(F)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000758111813 929926298 /nfs/dbraw/zinc/92/62/98/929926298.db2.gz CPRWRTWOEWJQEH-MRVPVSSYSA-N -1 3 391.380 3.979 20 5 GHBDHM COc1ccc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC000559980942 932994727 /nfs/dbraw/zinc/99/47/27/932994727.db2.gz BWJTWTDAWZONRK-KKSFZXQISA-N -1 3 384.432 3.816 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccco3)n2)c(C)c([N+](=O)[O-])c1 ZINC001116776379 933749775 /nfs/dbraw/zinc/74/97/75/933749775.db2.gz NTVGMSWXMQTELL-UHFFFAOYSA-N -1 3 387.373 3.659 20 5 GHBDHM C[C@@](Cc1ccc(F)cc1)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001592854902 979657866 /nfs/dbraw/zinc/65/78/66/979657866.db2.gz XRPUUDHRWMIVAP-FQEVSTJZSA-N -1 3 399.378 3.565 20 5 GHBDHM CCCCOC[C@H](C)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227645718 1032500950 /nfs/dbraw/zinc/50/09/50/1032500950.db2.gz IRHIFKYFHFMWCF-LBPRGKRZSA-N -1 3 388.416 3.950 20 5 GHBDHM COc1c(Br)cccc1[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227695014 1032519562 /nfs/dbraw/zinc/51/95/62/1032519562.db2.gz KAPSEYFKZFEQJK-QMMMGPOBSA-N -1 3 393.197 3.777 20 5 GHBDHM O=C(Nc1ncc([O-])cc1Br)c1ccnc2c1ccc1cccnc12 ZINC001155808779 1032716780 /nfs/dbraw/zinc/71/67/80/1032716780.db2.gz KXSJPZYUXJZJIS-UHFFFAOYSA-N -1 3 395.216 3.898 20 5 GHBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000778036476 1018069130 /nfs/dbraw/zinc/06/91/30/1018069130.db2.gz JFMLLIGADFARLQ-LLVKDONJSA-N -1 3 388.330 3.614 20 5 GHBDHM O=C([N-]Cc1ccsc1Br)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000801000162 1021356661 /nfs/dbraw/zinc/35/66/61/1021356661.db2.gz YPIMYHVZHJNEMM-UHFFFAOYSA-N -1 3 391.193 3.827 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3C[C@H]4C[C@@H]3CN4C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228672708 1033037649 /nfs/dbraw/zinc/03/76/49/1033037649.db2.gz ABKFHGOQZWHCHD-HSMVNMDESA-N -1 3 388.424 3.556 20 5 GHBDHM CC(C)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001213689927 1028332395 /nfs/dbraw/zinc/33/23/95/1028332395.db2.gz BBPDVGNGHZQAIA-MRXNPFEDSA-N -1 3 382.869 3.794 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC001208392473 1034880868 /nfs/dbraw/zinc/88/08/68/1034880868.db2.gz XPOAWJBUWCPEGW-HNNXBMFYSA-N -1 3 388.367 3.794 20 5 GHBDHM C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(=O)OCc1ccccc1 ZINC001233505689 1039396878 /nfs/dbraw/zinc/39/68/78/1039396878.db2.gz DDPMBUWKVWUSSQ-JTQLQIEISA-N -1 3 375.768 3.635 20 5 GHBDHM COc1ccccc1OC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506693 1039398695 /nfs/dbraw/zinc/39/86/95/1039398695.db2.gz QDTHFVHSQISHHA-JTQLQIEISA-N -1 3 377.784 3.979 20 5 GHBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001462813150 1070564692 /nfs/dbraw/zinc/56/46/92/1070564692.db2.gz GBWFACLJRCTIGA-MFKMUULPSA-N -1 3 380.388 3.861 20 5 GHBDHM COc1c([O-])ccc(CN2CCCC[C@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC001308626157 1050038580 /nfs/dbraw/zinc/03/85/80/1050038580.db2.gz BPFHUAIXQVAJFK-ZDUSSCGKSA-N -1 3 376.413 3.543 20 5 GHBDHM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001309062065 1050313698 /nfs/dbraw/zinc/31/36/98/1050313698.db2.gz JFCYSVHJUSQNMD-UHFFFAOYSA-N -1 3 398.868 3.729 20 5 GHBDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309157607 1050411644 /nfs/dbraw/zinc/41/16/44/1050411644.db2.gz QHGCEGLZVIDKPZ-VIFPVBQESA-N -1 3 394.396 3.585 20 5 GHBDHM CCOc1cc([N-]C(=O)c2ncnc3sccc32)c([N+](=O)[O-])cc1OCC ZINC001356205160 1057428317 /nfs/dbraw/zinc/42/83/17/1057428317.db2.gz YPRWNBUJULJRRM-UHFFFAOYSA-N -1 3 388.405 3.649 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001463486625 1064396576 /nfs/dbraw/zinc/39/65/76/1064396576.db2.gz AKMRJHLFSZWVFF-AWEZNQCLSA-N -1 3 380.388 3.693 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)cc1[N+](=O)[O-] ZINC001463823144 1064650639 /nfs/dbraw/zinc/65/06/39/1064650639.db2.gz USZKACOFGDMPAO-UHFFFAOYSA-N -1 3 380.422 3.736 20 5 GHBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001472656756 1073599833 /nfs/dbraw/zinc/59/98/33/1073599833.db2.gz RGZWJDXTFVJMLJ-UHFFFAOYSA-N -1 3 396.230 3.570 20 5 GHBDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001475045617 1074708009 /nfs/dbraw/zinc/70/80/09/1074708009.db2.gz JBJYYRLMFJYZIW-UHFFFAOYSA-N -1 3 390.795 3.740 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC001475057433 1074714561 /nfs/dbraw/zinc/71/45/61/1074714561.db2.gz SASHQJBNZRGLDK-VHSXEESVSA-N -1 3 386.417 3.612 20 5 GHBDHM CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC001475099333 1074736744 /nfs/dbraw/zinc/73/67/44/1074736744.db2.gz ACWACHDKWHJSDD-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC001475205437 1074784109 /nfs/dbraw/zinc/78/41/09/1074784109.db2.gz NUHCYNWWFKARME-JTQLQIEISA-N -1 3 388.795 3.812 20 5 GHBDHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001475479491 1074890077 /nfs/dbraw/zinc/89/00/77/1074890077.db2.gz NGOWZDBKBOTECS-QWRGUYRKSA-N -1 3 394.415 3.964 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000823629565 599076501 /nfs/dbraw/zinc/07/65/01/599076501.db2.gz ABDVAJNRIMBHTI-NSHDSACASA-N -1 3 393.190 3.627 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000823629565 599076504 /nfs/dbraw/zinc/07/65/04/599076504.db2.gz ABDVAJNRIMBHTI-NSHDSACASA-N -1 3 393.190 3.627 20 5 GHBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000820461990 599274073 /nfs/dbraw/zinc/27/40/73/599274073.db2.gz UCRASQYYUFOZKJ-ZCFIWIBFSA-N -1 3 398.185 3.789 20 5 GHBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1Cl ZINC000820461990 599274074 /nfs/dbraw/zinc/27/40/74/599274074.db2.gz UCRASQYYUFOZKJ-ZCFIWIBFSA-N -1 3 398.185 3.789 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000738359630 598245821 /nfs/dbraw/zinc/24/58/21/598245821.db2.gz UOZJSEHHICSOFK-BXUZGUMPSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000738359630 598245822 /nfs/dbraw/zinc/24/58/22/598245822.db2.gz UOZJSEHHICSOFK-BXUZGUMPSA-N -1 3 390.325 3.762 20 5 GHBDHM Cc1c2c(nc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)c1-c1nnn[n-]1)CCC2 ZINC000737219459 598284753 /nfs/dbraw/zinc/28/47/53/598284753.db2.gz RLPSGPISDYGVDG-NSHDSACASA-N -1 3 382.449 3.820 20 5 GHBDHM Cc1c2c(nc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)c1-c1nn[n-]n1)CCC2 ZINC000737219459 598284754 /nfs/dbraw/zinc/28/47/54/598284754.db2.gz RLPSGPISDYGVDG-NSHDSACASA-N -1 3 382.449 3.820 20 5 GHBDHM Cc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737359392 598315844 /nfs/dbraw/zinc/31/58/44/598315844.db2.gz DMIUYPYFJSSPMG-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM Cc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737359392 598315846 /nfs/dbraw/zinc/31/58/46/598315846.db2.gz DMIUYPYFJSSPMG-UHFFFAOYSA-N -1 3 389.828 3.546 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736675746 598518577 /nfs/dbraw/zinc/51/85/77/598518577.db2.gz LUBKPOOKXQBTAX-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736675746 598518578 /nfs/dbraw/zinc/51/85/78/598518578.db2.gz LUBKPOOKXQBTAX-UHFFFAOYSA-N -1 3 392.828 3.613 20 5 GHBDHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736197953 598814687 /nfs/dbraw/zinc/81/46/87/598814687.db2.gz FKRHIUQTNULEEA-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736197953 598814689 /nfs/dbraw/zinc/81/46/89/598814689.db2.gz FKRHIUQTNULEEA-JTQLQIEISA-N -1 3 392.341 3.991 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)sc2c1 ZINC000738367371 598815716 /nfs/dbraw/zinc/81/57/16/598815716.db2.gz SDRUGRQNPQLLAB-UHFFFAOYSA-N -1 3 393.432 3.554 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)sc2c1 ZINC000738367371 598815718 /nfs/dbraw/zinc/81/57/18/598815718.db2.gz SDRUGRQNPQLLAB-UHFFFAOYSA-N -1 3 393.432 3.554 20 5 GHBDHM CC[C@@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820913274 599520754 /nfs/dbraw/zinc/52/07/54/599520754.db2.gz FAQGTMQEFACAPA-AWEZNQCLSA-N -1 3 389.419 3.756 20 5 GHBDHM CC[C@@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820913274 599520756 /nfs/dbraw/zinc/52/07/56/599520756.db2.gz FAQGTMQEFACAPA-AWEZNQCLSA-N -1 3 389.419 3.756 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(C(F)(F)F)cs1 ZINC000820927137 599688440 /nfs/dbraw/zinc/68/84/40/599688440.db2.gz ZOXRKSODNUWZOG-SECBINFHSA-N -1 3 399.358 3.813 20 5 GHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc(C(F)(F)F)cs1 ZINC000820927137 599688441 /nfs/dbraw/zinc/68/84/41/599688441.db2.gz ZOXRKSODNUWZOG-SECBINFHSA-N -1 3 399.358 3.813 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823646066 607459399 /nfs/dbraw/zinc/45/93/99/607459399.db2.gz ZLTPNCGOTJOAIC-WZUFQYTHSA-N -1 3 385.746 3.527 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823646066 607459400 /nfs/dbraw/zinc/45/94/00/607459400.db2.gz ZLTPNCGOTJOAIC-WZUFQYTHSA-N -1 3 385.746 3.527 20 5 GHBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833552199 604950846 /nfs/dbraw/zinc/95/08/46/604950846.db2.gz XWPNRTFAVZRYEU-GXTWGEPZSA-N -1 3 388.424 3.529 20 5 GHBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1nnn[n-]1 ZINC000821787294 606339110 /nfs/dbraw/zinc/33/91/10/606339110.db2.gz RAXYRPQFZYRBNA-KPKJPENVSA-N -1 3 398.766 3.662 20 5 GHBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1nn[n-]n1 ZINC000821787294 606339112 /nfs/dbraw/zinc/33/91/12/606339112.db2.gz RAXYRPQFZYRBNA-KPKJPENVSA-N -1 3 398.766 3.662 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644249 606448058 /nfs/dbraw/zinc/44/80/58/606448058.db2.gz HKJKTCXPMPBNKW-GOSISDBHSA-N -1 3 387.403 3.665 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644249 606448059 /nfs/dbraw/zinc/44/80/59/606448059.db2.gz HKJKTCXPMPBNKW-GOSISDBHSA-N -1 3 387.403 3.665 20 5 GHBDHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930021 608159266 /nfs/dbraw/zinc/15/92/66/608159266.db2.gz ZISDFZCGDXBUOI-NXEZZACHSA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824930021 608159268 /nfs/dbraw/zinc/15/92/68/608159268.db2.gz ZISDFZCGDXBUOI-NXEZZACHSA-N -1 3 378.820 3.583 20 5 GHBDHM CS[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000826225580 609590854 /nfs/dbraw/zinc/59/08/54/609590854.db2.gz FKXMQACXBMIQKO-CQSZACIVSA-N -1 3 387.469 3.513 20 5 GHBDHM CS[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000826225580 609590856 /nfs/dbraw/zinc/59/08/56/609590856.db2.gz FKXMQACXBMIQKO-CQSZACIVSA-N -1 3 387.469 3.513 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052427562 834629614 /nfs/dbraw/zinc/62/96/14/834629614.db2.gz DGGVGJFTBXBASU-UHFFFAOYSA-N -1 3 375.812 3.809 20 5 GHBDHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000577816345 834876984 /nfs/dbraw/zinc/87/69/84/834876984.db2.gz OXVLJWCXIPLKCR-UHFFFAOYSA-N -1 3 380.426 3.549 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000175252160 836729268 /nfs/dbraw/zinc/72/92/68/836729268.db2.gz RALLYJHHXGMYNQ-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1[O-] ZINC000580105595 837276407 /nfs/dbraw/zinc/27/64/07/837276407.db2.gz IPLMHKIRSJVFIJ-UHFFFAOYSA-N -1 3 383.385 3.879 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(-c2ccccc2)s1 ZINC000103201628 838376564 /nfs/dbraw/zinc/37/65/64/838376564.db2.gz TWFNWHWCGWLREP-UHFFFAOYSA-N -1 3 392.400 3.756 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1ccc(OC(C)C)cc1 ZINC000066756195 838930267 /nfs/dbraw/zinc/93/02/67/838930267.db2.gz YCRVMRWHCVRSBD-UHFFFAOYSA-N -1 3 399.382 3.663 20 5 GHBDHM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1C(F)(F)F ZINC000580316968 839253343 /nfs/dbraw/zinc/25/33/43/839253343.db2.gz IIHGIWDQKZZEMU-UHFFFAOYSA-N -1 3 395.340 3.561 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000549255743 839626430 /nfs/dbraw/zinc/62/64/30/839626430.db2.gz URQAKVLGCFSVIC-LSDHHAIUSA-N -1 3 382.807 3.802 20 5 GHBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175824271 840093240 /nfs/dbraw/zinc/09/32/40/840093240.db2.gz ZBWNUTVRSOIFIJ-UHFFFAOYSA-N -1 3 392.293 3.757 20 5 GHBDHM CC[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)OC ZINC000421147787 847811775 /nfs/dbraw/zinc/81/17/75/847811775.db2.gz FYLFJXVOXDUGPA-OAHLLOKOSA-N -1 3 380.422 3.554 20 5 GHBDHM CCN(CC)Cc1csc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)n1 ZINC000911962985 851990886 /nfs/dbraw/zinc/99/08/86/851990886.db2.gz HZDVZDWBUHBFKY-UHFFFAOYSA-N -1 3 384.408 3.732 20 5 GHBDHM O=C([O-])[C@H](CC1CCCC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426728025 852347467 /nfs/dbraw/zinc/34/74/67/852347467.db2.gz SGNRUQMEGSSHPW-INIZCTEOSA-N -1 3 375.450 3.841 20 5 GHBDHM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436953400 852542808 /nfs/dbraw/zinc/54/28/08/852542808.db2.gz PAJPOCTUHKFYMW-CRAIPNDOSA-N -1 3 383.448 3.598 20 5 GHBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163368126 862386613 /nfs/dbraw/zinc/38/66/13/862386613.db2.gz IDVUDVHJQBLMGZ-KOLCDFICSA-N -1 3 398.428 3.566 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481875285 862459064 /nfs/dbraw/zinc/45/90/64/862459064.db2.gz OFZSDQQNPIEQHB-UHFFFAOYSA-N -1 3 382.825 3.546 20 5 GHBDHM O=C([N-]c1nc[nH]n1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184413785 853822332 /nfs/dbraw/zinc/82/23/32/853822332.db2.gz GSVROPPHCHKRDF-UHFFFAOYSA-N -1 3 375.797 3.770 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462720354 856105641 /nfs/dbraw/zinc/10/56/41/856105641.db2.gz HROPWAMIZKASNS-WHCBVINPSA-N -1 3 380.853 3.924 20 5 GHBDHM Cc1[nH]nc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2[O-])c1[N+](=O)[O-] ZINC000594382536 858143376 /nfs/dbraw/zinc/14/33/76/858143376.db2.gz XJXRKPWMMGKMPV-UHFFFAOYSA-N -1 3 397.229 3.644 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1 ZINC000442997580 858286919 /nfs/dbraw/zinc/28/69/19/858286919.db2.gz ZWCJYUFCJSIURX-ZCFIWIBFSA-N -1 3 397.297 3.520 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000595279693 858459459 /nfs/dbraw/zinc/45/94/59/858459459.db2.gz XFYITEJCSOOZGD-SJORKVTESA-N -1 3 390.823 3.557 20 5 GHBDHM O=c1[n-]ccc(Nc2cccc(COCC(F)(F)C(F)F)c2)c1[N+](=O)[O-] ZINC000596080532 858776029 /nfs/dbraw/zinc/77/60/29/858776029.db2.gz IDKGACIRRFIUOP-UHFFFAOYSA-N -1 3 375.278 3.856 20 5 GHBDHM O=C(CCc1cc2ccccc2o1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000522357386 859177275 /nfs/dbraw/zinc/17/72/75/859177275.db2.gz LCFBQRZNBFAEGI-UHFFFAOYSA-N -1 3 376.372 3.724 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000543392073 859531021 /nfs/dbraw/zinc/53/10/21/859531021.db2.gz HRONYXZOZRHYBT-CYBMUJFWSA-N -1 3 393.403 3.824 20 5 GHBDHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000483701194 859552288 /nfs/dbraw/zinc/55/22/88/859552288.db2.gz QXGBWESPVWWYGT-UHFFFAOYSA-N -1 3 384.367 3.961 20 5 GHBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000484184204 859869529 /nfs/dbraw/zinc/86/95/29/859869529.db2.gz CNSRDBOBEHWQQM-UHFFFAOYSA-N -1 3 399.353 3.519 20 5 GHBDHM O=C([N-]c1nc2ccc(OCC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000124375114 860346242 /nfs/dbraw/zinc/34/62/42/860346242.db2.gz ACGYABSTQQFXRD-UHFFFAOYSA-N -1 3 387.295 3.991 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155412035 860504798 /nfs/dbraw/zinc/50/47/98/860504798.db2.gz FTHWGHKSRRVWLA-UHFFFAOYSA-N -1 3 394.778 3.834 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444032935 863181569 /nfs/dbraw/zinc/18/15/69/863181569.db2.gz LVLVFNAKFZXBAH-UHFFFAOYSA-N -1 3 389.477 3.690 20 5 GHBDHM CCCCn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C(C)C ZINC000480194669 864220209 /nfs/dbraw/zinc/22/02/09/864220209.db2.gz BAOFPYXCXZDZSK-UHFFFAOYSA-N -1 3 394.497 3.699 20 5 GHBDHM COc1c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)cccc1[N+](=O)[O-] ZINC000475164641 864369897 /nfs/dbraw/zinc/36/98/97/864369897.db2.gz OFLSPLGGVXJMJP-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c(C)c2c1 ZINC000609315182 882032051 /nfs/dbraw/zinc/03/20/51/882032051.db2.gz MDEYVQPYQMVWGV-JTQLQIEISA-N -1 3 396.446 3.759 20 5 GHBDHM COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000534729615 867346654 /nfs/dbraw/zinc/34/66/54/867346654.db2.gz RBJPCAOQLIBJGV-UHFFFAOYSA-N -1 3 382.825 3.834 20 5 GHBDHM Cc1ccc(S[C@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523550794 867515638 /nfs/dbraw/zinc/51/56/38/867515638.db2.gz ZHRQOTZGSDLAAX-CYBMUJFWSA-N -1 3 382.445 3.835 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(C(F)(F)F)c1 ZINC000446958486 870770879 /nfs/dbraw/zinc/77/08/79/870770879.db2.gz FDSZTPMXJCYTHX-AWEZNQCLSA-N -1 3 386.351 3.579 20 5 GHBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447030276 870884290 /nfs/dbraw/zinc/88/42/90/870884290.db2.gz UTXWQQSOLADMRT-VXGBXAGGSA-N -1 3 398.428 3.566 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000525700972 871232753 /nfs/dbraw/zinc/23/27/53/871232753.db2.gz XETLWLRXABLNTQ-UHFFFAOYSA-N -1 3 376.821 3.880 20 5 GHBDHM CSc1c(F)cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000181751090 871442984 /nfs/dbraw/zinc/44/29/84/871442984.db2.gz OEBADVTXZHBHAH-UHFFFAOYSA-N -1 3 388.417 3.579 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000446951802 874655910 /nfs/dbraw/zinc/65/59/10/874655910.db2.gz JLVUDORULHYORN-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Br)cnc2Br)c1 ZINC001199801380 875194460 /nfs/dbraw/zinc/19/44/60/875194460.db2.gz DMBBNVYHFDXURG-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM O=C(CCCc1ccccc1)[N-]OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000786893377 877011945 /nfs/dbraw/zinc/01/19/45/877011945.db2.gz IPFCMVIBGLMXQG-UHFFFAOYSA-N -1 3 393.237 3.928 20 5 GHBDHM C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2[N+](=O)[O-])C1 ZINC000610011850 877293951 /nfs/dbraw/zinc/29/39/51/877293951.db2.gz ZAARPUJSOPYVNO-CYBMUJFWSA-N -1 3 387.411 3.606 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000851709318 877873365 /nfs/dbraw/zinc/87/33/65/877873365.db2.gz WVERSYXWGQDFHF-HNNXBMFYSA-N -1 3 385.376 3.581 20 5 GHBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Br)cc1[O-] ZINC000152952451 879977110 /nfs/dbraw/zinc/97/71/10/879977110.db2.gz BUUXHOSJMMZDGD-UHFFFAOYSA-N -1 3 390.193 3.725 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H]4C[C@H]43)c([N+](=O)[O-])c2)c(C)c1 ZINC000804688714 883250143 /nfs/dbraw/zinc/25/01/43/883250143.db2.gz QTFUREVFKRLSEY-KBXCAEBGSA-N -1 3 387.461 3.611 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C(C)(C)[C@@H]21 ZINC000858840727 883392640 /nfs/dbraw/zinc/39/26/40/883392640.db2.gz CQKDQWAUMKWJFP-KCPJHIHWSA-N -1 3 392.456 3.531 20 5 GHBDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000475832172 884793824 /nfs/dbraw/zinc/79/38/24/884793824.db2.gz WBYZNXUFXFRZSI-UHFFFAOYSA-N -1 3 398.824 3.650 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000191459217 885033700 /nfs/dbraw/zinc/03/37/00/885033700.db2.gz TUCNJMWZDVJCJR-UHFFFAOYSA-N -1 3 377.813 3.840 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1Cl ZINC000811831506 890016399 /nfs/dbraw/zinc/01/63/99/890016399.db2.gz CRUQAZUNNOFIHB-UHFFFAOYSA-N -1 3 379.196 3.983 20 5 GHBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1[O-] ZINC001136219756 896714257 /nfs/dbraw/zinc/71/42/57/896714257.db2.gz BHIYEWKVCFWOKB-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM CC(C)(C)Oc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000824119694 899392871 /nfs/dbraw/zinc/39/28/71/899392871.db2.gz OKCBMTPYIMVNGM-UHFFFAOYSA-N -1 3 386.387 3.703 20 5 GHBDHM CC(C)(C)Oc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000824119694 899392882 /nfs/dbraw/zinc/39/28/82/899392882.db2.gz OKCBMTPYIMVNGM-UHFFFAOYSA-N -1 3 386.387 3.703 20 5 GHBDHM O=C(Cc1ccccc1)N1CCc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC001186538711 914625220 /nfs/dbraw/zinc/62/52/20/914625220.db2.gz BLVJFBQKKGANPP-UHFFFAOYSA-N -1 3 390.399 3.571 20 5 GHBDHM CC(C)N(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000846240801 902816592 /nfs/dbraw/zinc/81/65/92/902816592.db2.gz QJWJBTLENXNZSE-GHXNOFRVSA-N -1 3 384.432 3.982 20 5 GHBDHM Cc1c(Br)ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1F ZINC001212844449 903698365 /nfs/dbraw/zinc/69/83/65/903698365.db2.gz UQWSDZLSISQVBS-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC001177592241 908654364 /nfs/dbraw/zinc/65/43/64/908654364.db2.gz QYPUWXOFSRAILZ-SNVBAGLBSA-N -1 3 392.437 3.889 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000270701959 910666860 /nfs/dbraw/zinc/66/68/60/910666860.db2.gz ZXEZKMMOOBCASI-UHFFFAOYSA-N -1 3 396.494 3.735 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001212935657 911769240 /nfs/dbraw/zinc/76/92/40/911769240.db2.gz GEGIOCIPXQPFKU-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM Cn1ccc2cc(-c3noc(-c4[n-]nc(C(F)(F)F)c4[N+](=O)[O-])n3)ccc21 ZINC001212972227 916162282 /nfs/dbraw/zinc/16/22/82/916162282.db2.gz HPKWJJRVMDFHAJ-UHFFFAOYSA-N -1 3 378.270 3.545 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc(OC4CC4)cc3)no2)[n-]nc1C(F)(F)F ZINC001212973196 916167716 /nfs/dbraw/zinc/16/77/16/916167716.db2.gz UVZMVKLEVRMXGU-UHFFFAOYSA-N -1 3 381.270 3.595 20 5 GHBDHM O=C([N-]c1cccc2c1OCCC2=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000373195789 925924202 /nfs/dbraw/zinc/92/42/02/925924202.db2.gz NDXSGAOIYSZUBP-UHFFFAOYSA-N -1 3 397.206 3.636 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cncc(-c2ccccc2)c1 ZINC000467541684 929180947 /nfs/dbraw/zinc/18/09/47/929180947.db2.gz HIYKQBWUEQODMC-UHFFFAOYSA-N -1 3 385.383 3.721 20 5 GHBDHM CCOc1cc([N-]C(=O)c2c(C)noc2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000783836229 931682657 /nfs/dbraw/zinc/68/26/57/931682657.db2.gz XWEAOYYNESHZON-UHFFFAOYSA-N -1 3 375.381 3.818 20 5 GHBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000783940019 931724649 /nfs/dbraw/zinc/72/46/49/931724649.db2.gz AYDIQFHUDYUOHC-UHFFFAOYSA-N -1 3 395.194 3.721 20 5 GHBDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557861044 931727863 /nfs/dbraw/zinc/72/78/63/931727863.db2.gz JFPKDBIFGIGWRY-CYBMUJFWSA-N -1 3 398.868 3.522 20 5 GHBDHM COC(=O)c1ccc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(F)c1 ZINC000558413575 931988878 /nfs/dbraw/zinc/98/88/78/931988878.db2.gz LRBVELQQIBAYFV-UHFFFAOYSA-N -1 3 386.257 3.792 20 5 GHBDHM Cc1nc(C2([N-]C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CCCCCC2)no1 ZINC000777942812 934267218 /nfs/dbraw/zinc/26/72/18/934267218.db2.gz PQTVGDGYOCUNDQ-UHFFFAOYSA-N -1 3 394.378 3.744 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1C ZINC001119495817 934360700 /nfs/dbraw/zinc/36/07/00/934360700.db2.gz BEBGGTFEOGXXQR-UHFFFAOYSA-N -1 3 396.297 3.970 20 5 GHBDHM CC(C)(C)Oc1ccccc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001573876252 950665560 /nfs/dbraw/zinc/66/55/60/950665560.db2.gz HTBVVBWGCXEZJF-UHFFFAOYSA-N -1 3 386.387 3.703 20 5 GHBDHM CC(C)(C)Oc1ccccc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001573876252 950665578 /nfs/dbraw/zinc/66/55/78/950665578.db2.gz HTBVVBWGCXEZJF-UHFFFAOYSA-N -1 3 386.387 3.703 20 5 GHBDHM CC(C)[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001591096468 991687375 /nfs/dbraw/zinc/68/73/75/991687375.db2.gz FMEHRPSXXPUUJI-HXUWFJFHSA-N -1 3 383.448 3.640 20 5 GHBDHM COc1cc(O[C@H](C)CC(C)(C)OC)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227642390 1032499140 /nfs/dbraw/zinc/49/91/40/1032499140.db2.gz YQKVVSGWZTYRTE-LLVKDONJSA-N -1 3 388.416 3.948 20 5 GHBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(Br)c1F ZINC001227692502 1032518383 /nfs/dbraw/zinc/51/83/83/1032518383.db2.gz ZETATBWILNSVKE-SSDOTTSWSA-N -1 3 381.161 3.908 20 5 GHBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000778036477 1018068640 /nfs/dbraw/zinc/06/86/40/1018068640.db2.gz JFMLLIGADFARLQ-NSHDSACASA-N -1 3 388.330 3.614 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2ncc(-c3cccnc3)s2)c1F ZINC001140415658 1021623971 /nfs/dbraw/zinc/62/39/71/1021623971.db2.gz GQWUJKBTYFNEES-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001141315969 1024518888 /nfs/dbraw/zinc/51/88/88/1024518888.db2.gz SLMNYJSULZXIAG-UHFFFAOYSA-N -1 3 396.325 3.567 20 5 GHBDHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001210499833 1027534564 /nfs/dbraw/zinc/53/45/64/1027534564.db2.gz SVNGIZMETJOVHG-NSHDSACASA-N -1 3 393.303 3.995 20 5 GHBDHM CC(C)Oc1ccc(COc2nccc([O-])c2[N+](=O)[O-])cc1Br ZINC001225664533 1031528708 /nfs/dbraw/zinc/52/87/08/1031528708.db2.gz QGLVSWQKEWGBDJ-UHFFFAOYSA-N -1 3 383.198 3.824 20 5 GHBDHM COc1cccc2nc(=O)[n-]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)c21 ZINC001229243994 1033364955 /nfs/dbraw/zinc/36/49/55/1033364955.db2.gz YILVNDGZZIJEPV-CQSZACIVSA-N -1 3 395.293 3.935 20 5 GHBDHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001161572698 1035261204 /nfs/dbraw/zinc/26/12/04/1035261204.db2.gz CLSBJOXCVLOYSG-UHFFFAOYSA-N -1 3 384.367 3.791 20 5 GHBDHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc([N+](=O)[O-])cc1Cl ZINC001248611843 1035989083 /nfs/dbraw/zinc/98/90/83/1035989083.db2.gz VASLADAOXYIHAB-UHFFFAOYSA-N -1 3 380.813 3.609 20 5 GHBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001306993264 1048996234 /nfs/dbraw/zinc/99/62/34/1048996234.db2.gz CLPSLYYARZCDMJ-UHFFFAOYSA-N -1 3 389.355 3.655 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001309464345 1050739109 /nfs/dbraw/zinc/73/91/09/1050739109.db2.gz HQWNTDAHLSJJHS-TZMCWYRMSA-N -1 3 384.454 3.718 20 5 GHBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc(Br)c1 ZINC001445046051 1059446377 /nfs/dbraw/zinc/44/63/77/1059446377.db2.gz KZKHYELXGRFYCW-UHFFFAOYSA-N -1 3 393.237 3.816 20 5 GHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(F)F ZINC001464276527 1064938472 /nfs/dbraw/zinc/93/84/72/1064938472.db2.gz UYQLOUUIGKXBCG-UHFFFAOYSA-N -1 3 390.330 3.573 20 5 GHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001466258516 1066059161 /nfs/dbraw/zinc/05/91/61/1066059161.db2.gz UXQZGZPSSFYWRM-UHFFFAOYSA-N -1 3 376.731 3.531 20 5 GHBDHM Cc1ccccc1COc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001472507975 1073521637 /nfs/dbraw/zinc/52/16/37/1073521637.db2.gz PLRVWKRTGVLPTA-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001474967960 1074658644 /nfs/dbraw/zinc/65/86/44/1074658644.db2.gz VIUUZIVWWORIAH-UHFFFAOYSA-N -1 3 397.412 3.676 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CC2CCC1CC2 ZINC001475425472 1074870350 /nfs/dbraw/zinc/87/03/50/1074870350.db2.gz VIJOQKZJCAAEEQ-HTAVTVPLSA-N -1 3 392.399 3.718 20 5 GHBDHM Cc1cc(C)cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001475523213 1074904161 /nfs/dbraw/zinc/90/41/61/1074904161.db2.gz RZDULLAICWAVCQ-UHFFFAOYSA-N -1 3 388.367 3.709 20 5 GHBDHM CCc1ccc([C@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821483116 599110842 /nfs/dbraw/zinc/11/08/42/599110842.db2.gz XSEMRWCLZBBIOO-SJKOYZFVSA-N -1 3 382.424 3.908 20 5 GHBDHM CCc1ccc([C@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821483116 599110845 /nfs/dbraw/zinc/11/08/45/599110845.db2.gz XSEMRWCLZBBIOO-SJKOYZFVSA-N -1 3 382.424 3.908 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455663 606136525 /nfs/dbraw/zinc/13/65/25/606136525.db2.gz KQFUCAGIPIDMFC-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455663 606136527 /nfs/dbraw/zinc/13/65/27/606136527.db2.gz KQFUCAGIPIDMFC-SECBINFHSA-N -1 3 378.314 3.967 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823634197 606590349 /nfs/dbraw/zinc/59/03/49/606590349.db2.gz CMSMZXLUUWRQKR-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823634197 606590350 /nfs/dbraw/zinc/59/03/50/606590350.db2.gz CMSMZXLUUWRQKR-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000820456840 606644610 /nfs/dbraw/zinc/64/46/10/606644610.db2.gz WHSAVBOLICELPY-SECBINFHSA-N -1 3 376.323 3.549 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823640009 606722800 /nfs/dbraw/zinc/72/28/00/606722800.db2.gz OZIZRPUCTGBKQL-LJQANCHMSA-N -1 3 389.419 3.988 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823640009 606722803 /nfs/dbraw/zinc/72/28/03/606722803.db2.gz OZIZRPUCTGBKQL-LJQANCHMSA-N -1 3 389.419 3.988 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000820461465 607045591 /nfs/dbraw/zinc/04/55/91/607045591.db2.gz KLRKNUOLFKPKAS-LLVKDONJSA-N -1 3 398.398 3.876 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820461465 607045594 /nfs/dbraw/zinc/04/55/94/607045594.db2.gz KLRKNUOLFKPKAS-LLVKDONJSA-N -1 3 398.398 3.876 20 5 GHBDHM CC(C)CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824235540 608162197 /nfs/dbraw/zinc/16/21/97/608162197.db2.gz IIPXZPDDIJNDMQ-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM CC(C)CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000824235540 608162199 /nfs/dbraw/zinc/16/21/99/608162199.db2.gz IIPXZPDDIJNDMQ-UHFFFAOYSA-N -1 3 378.820 3.583 20 5 GHBDHM O=C(CC/C=C/c1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405354 608165065 /nfs/dbraw/zinc/16/50/65/608165065.db2.gz CMGZALQUMCRPSI-XBXARRHUSA-N -1 3 398.810 3.860 20 5 GHBDHM O=C(CC/C=C/c1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405354 608165067 /nfs/dbraw/zinc/16/50/67/608165067.db2.gz CMGZALQUMCRPSI-XBXARRHUSA-N -1 3 398.810 3.860 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499543 608877999 /nfs/dbraw/zinc/87/79/99/608877999.db2.gz MRZLYIGCTKVKGI-WDZFZDKYSA-N -1 3 385.746 3.527 20 5 GHBDHM O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499543 608878002 /nfs/dbraw/zinc/87/80/02/608878002.db2.gz MRZLYIGCTKVKGI-WDZFZDKYSA-N -1 3 385.746 3.527 20 5 GHBDHM CSc1ccc([C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000514940506 834821262 /nfs/dbraw/zinc/82/12/62/834821262.db2.gz WVRCEXMZEJQLAQ-GOSISDBHSA-N -1 3 389.477 3.659 20 5 GHBDHM COc1cc(CNCc2ccncc2OCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000512532674 844087612 /nfs/dbraw/zinc/08/76/12/844087612.db2.gz UAPKMXWYWJNXPB-UHFFFAOYSA-N -1 3 395.415 3.573 20 5 GHBDHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000188398920 835834454 /nfs/dbraw/zinc/83/44/54/835834454.db2.gz FBKVPYUDQXFUDY-UHFFFAOYSA-N -1 3 375.381 3.503 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c(Cl)c1 ZINC000051160628 838277232 /nfs/dbraw/zinc/27/72/32/838277232.db2.gz RFMTZFJSROZYCS-UHFFFAOYSA-N -1 3 398.868 3.524 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)n1 ZINC000119344670 840342367 /nfs/dbraw/zinc/34/23/67/840342367.db2.gz GEFMRGOILFPPFS-UHFFFAOYSA-N -1 3 384.779 3.559 20 5 GHBDHM CCOC[C@@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417654369 841106919 /nfs/dbraw/zinc/10/69/19/841106919.db2.gz IIJSUIWFSDKPNQ-MRXNPFEDSA-N -1 3 390.461 3.634 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(CC(F)(F)F)c2)s1 ZINC000302142654 861217988 /nfs/dbraw/zinc/21/79/88/861217988.db2.gz FVDIDYKGJJVUIA-UHFFFAOYSA-N -1 3 380.369 3.908 20 5 GHBDHM Cc1c(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000432640604 843336250 /nfs/dbraw/zinc/33/62/50/843336250.db2.gz GHRXVBNCWFLASK-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000604037007 861654676 /nfs/dbraw/zinc/65/46/76/861654676.db2.gz UMNFXDBRVLECPK-HNNXBMFYSA-N -1 3 388.367 3.794 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135506133 846502450 /nfs/dbraw/zinc/50/24/50/846502450.db2.gz SYSKTQFXBNNKIS-UHFFFAOYSA-N -1 3 396.375 3.772 20 5 GHBDHM COc1c([O-])ccc(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892254833 846896310 /nfs/dbraw/zinc/89/63/10/846896310.db2.gz WPPBKZKNCMXIHQ-OKILXGFUSA-N -1 3 387.436 3.535 20 5 GHBDHM CC1(C)CN(C2(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CCCCC2)CCO1 ZINC000582788453 848373920 /nfs/dbraw/zinc/37/39/20/848373920.db2.gz ISDQLYOWUYMEJG-UHFFFAOYSA-N -1 3 391.468 3.519 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c(Cl)c1 ZINC000435584386 850673603 /nfs/dbraw/zinc/67/36/03/850673603.db2.gz LISLXKZFULSDHJ-XYPYZODXSA-N -1 3 384.816 3.612 20 5 GHBDHM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000910375185 851163307 /nfs/dbraw/zinc/16/33/07/851163307.db2.gz ZOKDEKUDNQKMIP-KRWDZBQOSA-N -1 3 377.828 3.590 20 5 GHBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436795326 852354024 /nfs/dbraw/zinc/35/40/24/852354024.db2.gz FFJJQSFJQOPHEG-WBVHZDCISA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426808718 852418787 /nfs/dbraw/zinc/41/87/87/852418787.db2.gz NRIOZRMGVHPIAY-MRXNPFEDSA-N -1 3 393.237 3.971 20 5 GHBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000436965563 852537124 /nfs/dbraw/zinc/53/71/24/852537124.db2.gz KTXOAOGMFWHLST-QAPCUYQASA-N -1 3 383.448 3.598 20 5 GHBDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000518329438 853214799 /nfs/dbraw/zinc/21/47/99/853214799.db2.gz XAGAKZBPFKIOFD-UHFFFAOYSA-N -1 3 383.857 3.732 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC001212144996 853654557 /nfs/dbraw/zinc/65/45/57/853654557.db2.gz HCQYBFNINCCYLE-HIFRSBDPSA-N -1 3 395.868 3.648 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC001212145000 853656323 /nfs/dbraw/zinc/65/63/23/853656323.db2.gz HCQYBFNINCCYLE-ZFWWWQNUSA-N -1 3 395.868 3.648 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000590589707 855502604 /nfs/dbraw/zinc/50/26/04/855502604.db2.gz MSDDDENDAONXRB-ZDUSSCGKSA-N -1 3 382.438 3.558 20 5 GHBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173373235 856895494 /nfs/dbraw/zinc/89/54/94/856895494.db2.gz LMADUKSLEKGGKJ-MRXNPFEDSA-N -1 3 383.495 3.580 20 5 GHBDHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c21 ZINC000485904453 857215874 /nfs/dbraw/zinc/21/58/74/857215874.db2.gz HHZGZRDNXILHQS-UHFFFAOYSA-N -1 3 393.852 3.559 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151527271 857669064 /nfs/dbraw/zinc/66/90/64/857669064.db2.gz UQMXOMDVBGIYLX-UHFFFAOYSA-N -1 3 380.198 3.693 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1C ZINC000521156320 857678572 /nfs/dbraw/zinc/67/85/72/857678572.db2.gz ZWMHUUPXBSNODY-UHFFFAOYSA-N -1 3 388.367 3.709 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066938592 858365906 /nfs/dbraw/zinc/36/59/06/858365906.db2.gz AZYDUNJGKJBIOX-UHFFFAOYSA-N -1 3 395.487 3.567 20 5 GHBDHM Cc1cc(C)c(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC000574896400 858387845 /nfs/dbraw/zinc/38/78/45/858387845.db2.gz WFQDXOUKPXHJKD-UHFFFAOYSA-N -1 3 384.417 3.996 20 5 GHBDHM CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596256021 858844120 /nfs/dbraw/zinc/84/41/20/858844120.db2.gz WKKSZTFKUCXTCR-OAHLLOKOSA-N -1 3 387.436 3.841 20 5 GHBDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160821462 859252338 /nfs/dbraw/zinc/25/23/38/859252338.db2.gz YJSPOHUNJPBRJN-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1c[nH]cc1-c1ccccc1F ZINC000429428266 859351696 /nfs/dbraw/zinc/35/16/96/859351696.db2.gz TXVKWJMSYNUJHN-UHFFFAOYSA-N -1 3 391.362 3.793 20 5 GHBDHM CCCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OCCC ZINC000484279501 859908409 /nfs/dbraw/zinc/90/84/09/859908409.db2.gz WKGGARXMMWNTIX-UHFFFAOYSA-N -1 3 375.381 3.525 20 5 GHBDHM O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303293508 866144672 /nfs/dbraw/zinc/14/46/72/866144672.db2.gz HLGVOPCGNGGVIX-UHFFFAOYSA-N -1 3 393.334 3.630 20 5 GHBDHM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462326450 869252376 /nfs/dbraw/zinc/25/23/76/869252376.db2.gz SAXLGTQWTRUCSJ-GFCCVEGCSA-N -1 3 398.868 3.729 20 5 GHBDHM Cn1c2cc([O-])c(NC(=O)c3cc4ccccc4c4cccnc34)cc2n(C)c1=O ZINC000461616741 870596192 /nfs/dbraw/zinc/59/61/92/870596192.db2.gz CUDYQLYCRYEGQZ-UHFFFAOYSA-N -1 3 398.422 3.536 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000446970488 870828041 /nfs/dbraw/zinc/82/80/41/870828041.db2.gz BOYIBKDJAPUQSO-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000102978124 870882126 /nfs/dbraw/zinc/88/21/26/870882126.db2.gz MHGCTJHRGOELDM-UHFFFAOYSA-N -1 3 387.348 3.838 20 5 GHBDHM O=[N+]([O-])c1cc2cc(Br)cnc2c(NCc2ncccc2[O-])c1 ZINC001169731620 871827781 /nfs/dbraw/zinc/82/77/81/871827781.db2.gz CVHMGBYZRWDJHO-UHFFFAOYSA-N -1 3 375.182 3.618 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102220449 872761108 /nfs/dbraw/zinc/76/11/08/872761108.db2.gz LTTAGBCWQFQAOB-UHFFFAOYSA-N -1 3 387.348 3.838 20 5 GHBDHM CCSCc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000448114602 872872068 /nfs/dbraw/zinc/87/20/68/872872068.db2.gz VSVCMEKGXAGNEH-UHFFFAOYSA-N -1 3 382.445 3.912 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475655745 874308982 /nfs/dbraw/zinc/30/89/82/874308982.db2.gz KURJNAJXSODOID-QAPCUYQASA-N -1 3 383.448 3.598 20 5 GHBDHM O=C(CCc1ccnc2ccccc12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000609921018 877190369 /nfs/dbraw/zinc/19/03/69/877190369.db2.gz YUUIFSDDTIFGKP-UHFFFAOYSA-N -1 3 387.399 3.526 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2coc(C3CCCCC3)n2)c(C)c([N+](=O)[O-])c1 ZINC000489743465 879532845 /nfs/dbraw/zinc/53/28/45/879532845.db2.gz JXONUSCBFUYNHR-UHFFFAOYSA-N -1 3 387.392 3.978 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000609543518 883335514 /nfs/dbraw/zinc/33/55/14/883335514.db2.gz QUYZWBGUHAVZAR-GDBMZVCRSA-N -1 3 380.853 3.863 20 5 GHBDHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)n[n-]2)o1 ZINC000760495421 884239207 /nfs/dbraw/zinc/23/92/07/884239207.db2.gz QQRQDHTZCRQCHV-UHFFFAOYSA-N -1 3 394.343 3.898 20 5 GHBDHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[n-]n2)o1 ZINC000760495421 884239225 /nfs/dbraw/zinc/23/92/25/884239225.db2.gz QQRQDHTZCRQCHV-UHFFFAOYSA-N -1 3 394.343 3.898 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000537518855 884965277 /nfs/dbraw/zinc/96/52/77/884965277.db2.gz NQDONHIEWREDMY-UHFFFAOYSA-N -1 3 389.359 3.876 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000537518855 884965289 /nfs/dbraw/zinc/96/52/89/884965289.db2.gz NQDONHIEWREDMY-UHFFFAOYSA-N -1 3 389.359 3.876 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000864026367 887522669 /nfs/dbraw/zinc/52/26/69/887522669.db2.gz GLORCZGZPLSDSW-UHFFFAOYSA-N -1 3 399.388 3.506 20 5 GHBDHM CC(C)Cc1ccc(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000536807470 893823905 /nfs/dbraw/zinc/82/39/05/893823905.db2.gz SBKOJCHONZPHNW-UHFFFAOYSA-N -1 3 385.449 3.903 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2ccc(=O)n(Cc3ccccc3)c2)c1F ZINC001136359871 897432888 /nfs/dbraw/zinc/43/28/88/897432888.db2.gz ZPYMPJHXOQHNJZ-UHFFFAOYSA-N -1 3 399.353 3.644 20 5 GHBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc([O-])c2ccccc2c1 ZINC000575794242 901309373 /nfs/dbraw/zinc/30/93/73/901309373.db2.gz UKNSEXRZCUSTMI-UHFFFAOYSA-N -1 3 375.384 3.907 20 5 GHBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182690073 907251834 /nfs/dbraw/zinc/25/18/34/907251834.db2.gz XLBBTCHEMFKVQD-UHFFFAOYSA-N -1 3 381.339 3.545 20 5 GHBDHM O=C1CCCc2cc(-c3noc(-c4[n-]nc(C(F)(F)F)c4[N+](=O)[O-])n3)ccc21 ZINC001212972534 916160491 /nfs/dbraw/zinc/16/04/91/916160491.db2.gz CAIKCLHQWBAMHV-UHFFFAOYSA-N -1 3 393.281 3.573 20 5 GHBDHM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl)OCCO2 ZINC000751201111 928072219 /nfs/dbraw/zinc/07/22/19/928072219.db2.gz ZQJYJWTXOAFXFD-UHFFFAOYSA-N -1 3 380.809 3.994 20 5 GHBDHM CSc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000467714413 929329790 /nfs/dbraw/zinc/32/97/90/929329790.db2.gz HXZAHPJQKMTBAB-UHFFFAOYSA-N -1 3 390.371 3.659 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000796913500 932108059 /nfs/dbraw/zinc/10/80/59/932108059.db2.gz ZXPIVAZSEZOHRQ-UHFFFAOYSA-N -1 3 393.399 3.949 20 5 GHBDHM COc1ccc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001124340963 935377383 /nfs/dbraw/zinc/37/73/83/935377383.db2.gz UPGVENZDKKIVOW-UHFFFAOYSA-N -1 3 385.254 3.783 20 5 GHBDHM C[C@@H](C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001573756414 948816471 /nfs/dbraw/zinc/81/64/71/948816471.db2.gz QVYDGBNPDFTLFO-GFCCVEGCSA-N -1 3 388.387 3.670 20 5 GHBDHM C[C@@H](C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001573756414 948816492 /nfs/dbraw/zinc/81/64/92/948816492.db2.gz QVYDGBNPDFTLFO-GFCCVEGCSA-N -1 3 388.387 3.670 20 5 GHBDHM CC(C)CC(=O)Nc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001574126047 949600837 /nfs/dbraw/zinc/60/08/37/949600837.db2.gz XOFPHMUCNNWCCN-UHFFFAOYSA-N -1 3 381.396 3.503 20 5 GHBDHM CC(C)CC(=O)Nc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001574126047 949600855 /nfs/dbraw/zinc/60/08/55/949600855.db2.gz XOFPHMUCNNWCCN-UHFFFAOYSA-N -1 3 381.396 3.503 20 5 GHBDHM CC[C@](NCc1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300800 980435555 /nfs/dbraw/zinc/43/55/55/980435555.db2.gz UIECXLIIYLFVDM-GOSISDBHSA-N -1 3 378.812 3.737 20 5 GHBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001598507875 992530746 /nfs/dbraw/zinc/53/07/46/992530746.db2.gz WBXIRBONQLMVON-HKUYNNGSSA-N -1 3 388.395 3.784 20 5 GHBDHM COc1cc(O[C@H]2CC=C(OC)CC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641060 1032497911 /nfs/dbraw/zinc/49/79/11/1032497911.db2.gz JEVJHMCHHRTRIW-LBPRGKRZSA-N -1 3 384.384 3.828 20 5 GHBDHM COc1cc(O[C@H](C)c2cccnc2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646728 1032500522 /nfs/dbraw/zinc/50/05/22/1032500522.db2.gz SBBXJZAFLCAJEZ-LLVKDONJSA-N -1 3 379.368 3.901 20 5 GHBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(Br)c1F ZINC001227692504 1032518654 /nfs/dbraw/zinc/51/86/54/1032518654.db2.gz ZETATBWILNSVKE-ZETCQYMHSA-N -1 3 381.161 3.908 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740903 1032537749 /nfs/dbraw/zinc/53/77/49/1032537749.db2.gz CIVAQDZSLITALA-MLGOLLRUSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740903 1032537754 /nfs/dbraw/zinc/53/77/54/1032537754.db2.gz CIVAQDZSLITALA-MLGOLLRUSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740933 1032538437 /nfs/dbraw/zinc/53/84/37/1032538437.db2.gz DFAJLNPVGUHILQ-BLLLJJGKSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740933 1032538444 /nfs/dbraw/zinc/53/84/44/1032538444.db2.gz DFAJLNPVGUHILQ-BLLLJJGKSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000778019891 1018033729 /nfs/dbraw/zinc/03/37/29/1018033729.db2.gz PFBOKGQIVULFSS-LLVKDONJSA-N -1 3 394.378 3.995 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3C[C@H](N(C)C(=O)OC(C)(C)C)C3)nc2cc1[N+](=O)[O-] ZINC001228671997 1033037210 /nfs/dbraw/zinc/03/72/10/1033037210.db2.gz NFLFTTJFTGQMLH-HAQNSBGRSA-N -1 3 376.413 3.556 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218040195 1030736562 /nfs/dbraw/zinc/73/65/62/1030736562.db2.gz WFPBCFYCVVNEAS-ZIAGYGMSSA-N -1 3 395.455 3.995 20 5 GHBDHM CC(C)=CCc1c([O-])cc(O[C@@H]2C=CC[NH2+]C2)c2c(=O)c3cccc([O-])c3oc12 ZINC001218338254 1030901498 /nfs/dbraw/zinc/90/14/98/1030901498.db2.gz UVVSHEYHTGZVQF-CQSZACIVSA-N -1 3 393.439 3.773 20 5 GHBDHM CSc1[n-]nc(NC(=O)c2c3ccccc3cc3ccccc32)c1C(N)=O ZINC001153489979 1031613983 /nfs/dbraw/zinc/61/39/83/1031613983.db2.gz XHEDTNKLXAGTBS-UHFFFAOYSA-N -1 3 376.441 3.789 20 5 GHBDHM COC(=O)c1ccc2[n-]c(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)nc2c1 ZINC001226258490 1031883605 /nfs/dbraw/zinc/88/36/05/1031883605.db2.gz PSRSDARWNAJCAX-AWEZNQCLSA-N -1 3 395.293 3.940 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001248000957 1038532689 /nfs/dbraw/zinc/53/26/89/1038532689.db2.gz VTMBVUJEWPOAPW-UHFFFAOYSA-N -1 3 394.265 3.796 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cscc2C(F)F)c1 ZINC001309309243 1050579050 /nfs/dbraw/zinc/57/90/50/1050579050.db2.gz PBDLQQLWIFSELX-UHFFFAOYSA-N -1 3 382.797 3.726 20 5 GHBDHM CN(C)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001454581959 1061860616 /nfs/dbraw/zinc/86/06/16/1061860616.db2.gz XHVGPUWDDNCNNX-MRXNPFEDSA-N -1 3 398.246 3.640 20 5 GHBDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001463532826 1064441335 /nfs/dbraw/zinc/44/13/35/1064441335.db2.gz MWTAVFJKSDVOOR-JTQLQIEISA-N -1 3 380.388 3.861 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc3ccccc32)c(F)c1 ZINC001463612600 1064499861 /nfs/dbraw/zinc/49/98/61/1064499861.db2.gz VJJDTGAVCQANKW-FUHWJXTLSA-N -1 3 386.404 3.722 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c(Cl)c1 ZINC001463765273 1064597842 /nfs/dbraw/zinc/59/78/42/1064597842.db2.gz GQVQFGRJHDWPAL-UHFFFAOYSA-N -1 3 382.850 3.941 20 5 GHBDHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001469987379 1068506055 /nfs/dbraw/zinc/50/60/55/1068506055.db2.gz WWAGDXKQRYKZBO-UHFFFAOYSA-N -1 3 394.318 3.895 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001474897342 1074619329 /nfs/dbraw/zinc/61/93/29/1074619329.db2.gz VNRCTVJSXAMZSE-GFCCVEGCSA-N -1 3 382.507 3.999 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC001475118899 1074744613 /nfs/dbraw/zinc/74/46/13/1074744613.db2.gz VXQMTIMAMCBEIL-UHFFFAOYSA-N -1 3 380.853 3.549 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC001475159561 1074763313 /nfs/dbraw/zinc/76/33/13/1074763313.db2.gz FGMNZEABDYPJQH-LLVKDONJSA-N -1 3 380.853 3.776 20 5 GHBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC001475715603 1075006524 /nfs/dbraw/zinc/00/65/24/1075006524.db2.gz PKKAJFRSIQLZLS-UHFFFAOYSA-N -1 3 392.330 3.540 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nnn[n-]2)c1 ZINC000738369763 598829286 /nfs/dbraw/zinc/82/92/86/598829286.db2.gz NYJUMQYAWYWFBX-GFCCVEGCSA-N -1 3 392.206 3.576 20 5 GHBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(-c2nn[n-]n2)c1 ZINC000738369763 598829288 /nfs/dbraw/zinc/82/92/88/598829288.db2.gz NYJUMQYAWYWFBX-GFCCVEGCSA-N -1 3 392.206 3.576 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736138853 598855492 /nfs/dbraw/zinc/85/54/92/598855492.db2.gz OJMBRDBWWUNCNE-LLVKDONJSA-N -1 3 377.364 3.603 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736138853 598855493 /nfs/dbraw/zinc/85/54/93/598855493.db2.gz OJMBRDBWWUNCNE-LLVKDONJSA-N -1 3 377.364 3.603 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(Oc3cccc(F)c3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373862 598500155 /nfs/dbraw/zinc/50/01/55/598500155.db2.gz IQIYTWFJQZPXAN-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM O=[N+]([O-])c1cnc(Nc2ccc(Oc3cccc(F)c3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373862 598500157 /nfs/dbraw/zinc/50/01/57/598500157.db2.gz IQIYTWFJQZPXAN-UHFFFAOYSA-N -1 3 393.338 3.845 20 5 GHBDHM C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739031855 602875992 /nfs/dbraw/zinc/87/59/92/602875992.db2.gz RFQHJALHBWXQMD-JSGCOSHPSA-N -1 3 390.465 3.586 20 5 GHBDHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1Cl ZINC000826296038 608163726 /nfs/dbraw/zinc/16/37/26/608163726.db2.gz HOAUDNMPZKWTHP-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1Cl ZINC000826296038 608163728 /nfs/dbraw/zinc/16/37/28/608163728.db2.gz HOAUDNMPZKWTHP-UHFFFAOYSA-N -1 3 393.190 3.642 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cs1 ZINC000120096142 834453540 /nfs/dbraw/zinc/45/35/40/834453540.db2.gz RKNLTWLTOXAMGK-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM COc1cc(C(=O)[N-]c2cc(F)c(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000609182506 835831483 /nfs/dbraw/zinc/83/14/83/835831483.db2.gz FPSZCUJSEUWBEY-UHFFFAOYSA-N -1 3 392.236 3.874 20 5 GHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000617366703 844169400 /nfs/dbraw/zinc/16/94/00/844169400.db2.gz IWRXPVYIZOMGIB-UHFFFAOYSA-N -1 3 385.327 3.692 20 5 GHBDHM CCc1nnsc1C(=O)[N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188953843 837992872 /nfs/dbraw/zinc/99/28/72/837992872.db2.gz HHTYWMAHTHQXSW-UHFFFAOYSA-N -1 3 384.417 3.840 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000414439515 838230887 /nfs/dbraw/zinc/23/08/87/838230887.db2.gz LAVFFQIZLZNPIP-UHFFFAOYSA-N -1 3 393.440 3.752 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(Cl)c1 ZINC000021795063 840499516 /nfs/dbraw/zinc/49/95/16/840499516.db2.gz YGFFNOKFJPELKT-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000162490903 841201189 /nfs/dbraw/zinc/20/11/89/841201189.db2.gz KURJNAJXSODOID-MAUKXSAKSA-N -1 3 383.448 3.598 20 5 GHBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432214163 841231674 /nfs/dbraw/zinc/23/16/74/841231674.db2.gz SNFMDIAOPHDRFB-UHFFFAOYSA-N -1 3 395.194 3.721 20 5 GHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119368055 841480117 /nfs/dbraw/zinc/48/01/17/841480117.db2.gz IVJRKWZENHLMOW-ZDUSSCGKSA-N -1 3 387.845 3.591 20 5 GHBDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000432324960 843686504 /nfs/dbraw/zinc/68/65/04/843686504.db2.gz YRLMLXRRUZSYSK-UHFFFAOYSA-N -1 3 390.889 3.510 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cccc1F ZINC000604042588 861625705 /nfs/dbraw/zinc/62/57/05/861625705.db2.gz VUQFFNGLPQWBOY-MRVPVSSYSA-N -1 3 376.768 3.566 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(F)(F)F ZINC000263481798 846261530 /nfs/dbraw/zinc/26/15/30/846261530.db2.gz GLZGQRUNJCAUIG-ZIAGYGMSSA-N -1 3 384.310 3.550 20 5 GHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435434050 846670043 /nfs/dbraw/zinc/67/00/43/846670043.db2.gz VZJOBDVNWXLWMM-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001211543345 847007265 /nfs/dbraw/zinc/00/72/65/847007265.db2.gz LDXDQDCVNUWXDE-SNVBAGLBSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1sc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000420741165 847405467 /nfs/dbraw/zinc/40/54/67/847405467.db2.gz SFVNYABIPLEJEH-LLVKDONJSA-N -1 3 376.406 3.640 20 5 GHBDHM CC(C)c1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000050294924 847592895 /nfs/dbraw/zinc/59/28/95/847592895.db2.gz BHVACGNYXLYYPX-UHFFFAOYSA-N -1 3 375.435 3.946 20 5 GHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000731781287 861886783 /nfs/dbraw/zinc/88/67/83/861886783.db2.gz UYEDKODIYPLOQZ-UHFFFAOYSA-N -1 3 375.450 3.694 20 5 GHBDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cccc1[N+](=O)[O-] ZINC000028752355 851997856 /nfs/dbraw/zinc/99/78/56/851997856.db2.gz NDLXESJWKLRSPL-MRVPVSSYSA-N -1 3 386.191 3.722 20 5 GHBDHM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426685975 852271382 /nfs/dbraw/zinc/27/13/82/852271382.db2.gz LHOXKTQTZKWVOK-KRWDZBQOSA-N -1 3 383.429 3.504 20 5 GHBDHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000509615126 855515256 /nfs/dbraw/zinc/51/52/56/855515256.db2.gz CTADARJQXIXMNP-HNNXBMFYSA-N -1 3 382.413 3.562 20 5 GHBDHM COCCN(CC(=O)[O-])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000591269589 855874459 /nfs/dbraw/zinc/87/44/59/855874459.db2.gz GBTVCWLKBQBOME-UHFFFAOYSA-N -1 3 394.811 3.574 20 5 GHBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485113144 856110306 /nfs/dbraw/zinc/11/03/06/856110306.db2.gz KUFSEAPVIFKWTF-UHFFFAOYSA-N -1 3 392.375 3.567 20 5 GHBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(Cl)s1 ZINC000427983119 856937121 /nfs/dbraw/zinc/93/71/21/856937121.db2.gz KBGJHGJLYHHTGI-VIFPVBQESA-N -1 3 376.825 3.864 20 5 GHBDHM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ncc(Cl)cn1 ZINC001128171637 856972923 /nfs/dbraw/zinc/97/29/23/856972923.db2.gz MBRNWRKMIPVVBK-UHFFFAOYSA-N -1 3 384.779 3.870 20 5 GHBDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000485985044 857302257 /nfs/dbraw/zinc/30/22/57/857302257.db2.gz YNDSORCXXRCLJO-SNAWJCMRSA-N -1 3 393.346 3.791 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000151569082 858166708 /nfs/dbraw/zinc/16/67/08/858166708.db2.gz HHYKBAKORIZHFC-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@@H]12 ZINC000594733665 858267448 /nfs/dbraw/zinc/26/74/48/858267448.db2.gz BDLLSILEYKEAHK-KSZLIROESA-N -1 3 385.420 3.715 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)c(F)c1 ZINC000522049783 858570845 /nfs/dbraw/zinc/57/08/45/858570845.db2.gz LYNSKCIERSAKIN-UHFFFAOYSA-N -1 3 388.461 3.532 20 5 GHBDHM CC(C)Cc1ccc(C(=O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596075233 858772511 /nfs/dbraw/zinc/77/25/11/858772511.db2.gz FUVPHYBFQQQILS-UHFFFAOYSA-N -1 3 383.448 3.993 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000261395929 859924086 /nfs/dbraw/zinc/92/40/86/859924086.db2.gz SBYJILJQYRHMMQ-AWEZNQCLSA-N -1 3 389.477 3.859 20 5 GHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139561530 860877508 /nfs/dbraw/zinc/87/75/08/860877508.db2.gz ZBMDNVSQPHMBMH-UHFFFAOYSA-N -1 3 385.601 3.646 20 5 GHBDHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183334751 866610148 /nfs/dbraw/zinc/61/01/48/866610148.db2.gz HJGQGQCYVRKOCQ-SECBINFHSA-N -1 3 397.200 3.622 20 5 GHBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741759061 866766503 /nfs/dbraw/zinc/76/65/03/866766503.db2.gz WGNKMTPJLPFEOX-GWCFXTLKSA-N -1 3 391.287 3.604 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cc(C2CC2)no1 ZINC000440446371 866875300 /nfs/dbraw/zinc/87/53/00/866875300.db2.gz MSKDOPXWDNJIOI-UHFFFAOYSA-N -1 3 377.356 3.944 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCC2CCCC2)c1 ZINC000742274398 867162960 /nfs/dbraw/zinc/16/29/60/867162960.db2.gz VNRJKKYNAOYVCD-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445211920 867929609 /nfs/dbraw/zinc/92/96/09/867929609.db2.gz ILBRXJBIPMUXAR-UHFFFAOYSA-N -1 3 386.751 3.788 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000447274612 871266947 /nfs/dbraw/zinc/26/69/47/871266947.db2.gz NYSUAIRFGPMCJH-UHFFFAOYSA-N -1 3 394.302 3.584 20 5 GHBDHM Nc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000921022205 882508541 /nfs/dbraw/zinc/50/85/41/882508541.db2.gz YGVHTTWSPGQDDM-UHFFFAOYSA-N -1 3 399.428 3.557 20 5 GHBDHM COc1cc(CNc2ccc(OCc3ccccc3)nc2)c([N+](=O)[O-])cc1[O-] ZINC000540807807 872227774 /nfs/dbraw/zinc/22/77/74/872227774.db2.gz PRWBJWLMSBTRDZ-UHFFFAOYSA-N -1 3 381.388 3.895 20 5 GHBDHM Cc1cc(C)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)c1 ZINC000768867330 873629982 /nfs/dbraw/zinc/62/99/82/873629982.db2.gz WEASKAHCSKDKAL-UHFFFAOYSA-N -1 3 391.268 3.836 20 5 GHBDHM O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770404264 874650477 /nfs/dbraw/zinc/65/04/77/874650477.db2.gz JFJFZLXZBUHFDA-IBGZPJMESA-N -1 3 393.399 3.614 20 5 GHBDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000775932664 874791489 /nfs/dbraw/zinc/79/14/89/874791489.db2.gz CCCVKSOKKVIHAF-MRVPVSSYSA-N -1 3 399.186 3.791 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c(Cl)c1 ZINC000610086463 877382182 /nfs/dbraw/zinc/38/21/82/877382182.db2.gz YHEPAGBPBZONFK-UHFFFAOYSA-N -1 3 396.852 3.516 20 5 GHBDHM CC[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(OC)cc1 ZINC000538426511 879459811 /nfs/dbraw/zinc/45/98/11/879459811.db2.gz MAJCPDCLKCRDKJ-QGZVFWFLSA-N -1 3 380.404 3.548 20 5 GHBDHM CCCCc1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C(=O)OCC)[n-]1 ZINC000791021011 880151622 /nfs/dbraw/zinc/15/16/22/880151622.db2.gz PTJWNXYTNROVKM-UHFFFAOYSA-N -1 3 392.387 3.537 20 5 GHBDHM Cc1c([N-]S(=O)(=O)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000192673315 883373513 /nfs/dbraw/zinc/37/35/13/883373513.db2.gz NACPRPHKTSSPNJ-UHFFFAOYSA-N -1 3 385.239 3.608 20 5 GHBDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)n1 ZINC001212263963 883750398 /nfs/dbraw/zinc/75/03/98/883750398.db2.gz GAAIYANUARBYPU-SECBINFHSA-N -1 3 389.886 3.615 20 5 GHBDHM CCSCc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000556468567 885047630 /nfs/dbraw/zinc/04/76/30/885047630.db2.gz SCKDBQJTVLHQBL-UHFFFAOYSA-N -1 3 386.227 3.851 20 5 GHBDHM COc1ccc(S[C@H](C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000499031219 886382039 /nfs/dbraw/zinc/38/20/39/886382039.db2.gz PWDWUJSZXCFMSG-GFCCVEGCSA-N -1 3 398.444 3.535 20 5 GHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC001211937030 887427141 /nfs/dbraw/zinc/42/71/41/887427141.db2.gz QPKWJFYGZYRABS-CQSZACIVSA-N -1 3 390.795 3.841 20 5 GHBDHM O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(F)cc2[n-]nnc21 ZINC000811219577 889303052 /nfs/dbraw/zinc/30/30/52/889303052.db2.gz WLNZUUFRQUJTJA-UHFFFAOYSA-N -1 3 385.138 3.669 20 5 GHBDHM O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(F)cc2nn[n-]c21 ZINC000811219577 889303062 /nfs/dbraw/zinc/30/30/62/889303062.db2.gz WLNZUUFRQUJTJA-UHFFFAOYSA-N -1 3 385.138 3.669 20 5 GHBDHM O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cc(F)cc2n[n-]nc21 ZINC000811219577 889303074 /nfs/dbraw/zinc/30/30/74/889303074.db2.gz WLNZUUFRQUJTJA-UHFFFAOYSA-N -1 3 385.138 3.669 20 5 GHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4ccccc4c3)cs2)n1 ZINC000536808162 893863494 /nfs/dbraw/zinc/86/34/94/893863494.db2.gz ZKTJDHTXWGHITP-UHFFFAOYSA-N -1 3 379.401 3.857 20 5 GHBDHM CC1CCN([C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c2cccs2)CC1 ZINC000567980836 897521520 /nfs/dbraw/zinc/52/15/20/897521520.db2.gz PBAGMCXTIKZYLI-CQSZACIVSA-N -1 3 390.465 3.635 20 5 GHBDHM CC(C)Oc1ccc([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000576282856 901910637 /nfs/dbraw/zinc/91/06/37/901910637.db2.gz WLCQJFDUJZMQBM-IBGZPJMESA-N -1 3 387.436 3.795 20 5 GHBDHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001186541360 914628200 /nfs/dbraw/zinc/62/82/00/914628200.db2.gz QIWDPLRGLNWSBC-AWEZNQCLSA-N -1 3 382.869 3.938 20 5 GHBDHM CCCOc1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837423 903526693 /nfs/dbraw/zinc/52/66/93/903526693.db2.gz KLYXPBLNCHOKSO-UHFFFAOYSA-N -1 3 394.185 3.586 20 5 GHBDHM CCCOc1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837423 903526700 /nfs/dbraw/zinc/52/67/00/903526700.db2.gz KLYXPBLNCHOKSO-UHFFFAOYSA-N -1 3 394.185 3.586 20 5 GHBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901467395 921136472 /nfs/dbraw/zinc/13/64/72/921136472.db2.gz HRRYADLDQXRMJH-SFHVURJKSA-N -1 3 375.450 3.651 20 5 GHBDHM Cc1cc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1F ZINC001188353016 915925369 /nfs/dbraw/zinc/92/53/69/915925369.db2.gz FUAPPOGQIVVFCD-QGZVFWFLSA-N -1 3 382.388 3.611 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccc4ncccc4c3)no2)[n-]nc1C(F)(F)F ZINC001212972701 916160658 /nfs/dbraw/zinc/16/06/58/916160658.db2.gz GDLVGXUWEALGID-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cncc4ccccc43)no2)[n-]nc1C(F)(F)F ZINC001212973108 916166121 /nfs/dbraw/zinc/16/61/21/916166121.db2.gz QPHHCDMKZNIKGC-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001189382950 916578353 /nfs/dbraw/zinc/57/83/53/916578353.db2.gz AZCJWAYARZFEGC-HUUCEWRRSA-N -1 3 394.880 3.938 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000363075587 917731257 /nfs/dbraw/zinc/73/12/57/917731257.db2.gz SMBBWFOQNSVKSZ-UHFFFAOYSA-N -1 3 378.388 3.881 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000363997452 919049792 /nfs/dbraw/zinc/04/97/92/919049792.db2.gz JKNFPAWAIWKOBA-UHFFFAOYSA-N -1 3 390.450 3.509 20 5 GHBDHM COc1cc(O[C@H]2CCc3cccnc32)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227647278 1032500642 /nfs/dbraw/zinc/50/06/42/1032500642.db2.gz XRGURAZQCLHSPK-HNNXBMFYSA-N -1 3 391.379 3.827 20 5 GHBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccc(F)c(Br)c1 ZINC001227689733 1032517716 /nfs/dbraw/zinc/51/77/16/1032517716.db2.gz COPSSVXKQBDYDR-ZETCQYMHSA-N -1 3 381.161 3.908 20 5 GHBDHM O=C(c1cccs1)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccs1 ZINC001227691157 1032518643 /nfs/dbraw/zinc/51/86/43/1032518643.db2.gz MYUIRJRPYZOAIR-OAHLLOKOSA-N -1 3 386.414 3.992 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C2)C1 ZINC001227742158 1032539205 /nfs/dbraw/zinc/53/92/05/1032539205.db2.gz WDKSRMCFRATSMK-UHFFFAOYSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C2)C1 ZINC001227742158 1032539210 /nfs/dbraw/zinc/53/92/10/1032539210.db2.gz WDKSRMCFRATSMK-UHFFFAOYSA-N -1 3 388.424 3.640 20 5 GHBDHM COC(=O)c1ccc([O-])c(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n1 ZINC001227824126 1032633720 /nfs/dbraw/zinc/63/37/20/1032633720.db2.gz DODSSSYAZGRVNQ-GOSISDBHSA-N -1 3 380.356 3.650 20 5 GHBDHM O=C([N-]Cc1nc2cc(Cl)ccc2[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778269988 1018929619 /nfs/dbraw/zinc/92/96/19/1018929619.db2.gz PZSDWSRDIHHKKZ-UHFFFAOYSA-N -1 3 380.738 3.533 20 5 GHBDHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901788247 1021447608 /nfs/dbraw/zinc/44/76/08/1021447608.db2.gz UKKRQYMDPHILJY-MRXNPFEDSA-N -1 3 384.310 3.694 20 5 GHBDHM COC(=O)[C@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)c1ccccc1Cl ZINC001228675298 1033038052 /nfs/dbraw/zinc/03/80/52/1033038052.db2.gz PGQHDFCHNLYXAQ-OAHLLOKOSA-N -1 3 375.768 3.726 20 5 GHBDHM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1Cl ZINC001228675298 1033038068 /nfs/dbraw/zinc/03/80/68/1033038068.db2.gz PGQHDFCHNLYXAQ-OAHLLOKOSA-N -1 3 375.768 3.726 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001210419151 1027500121 /nfs/dbraw/zinc/50/01/21/1027500121.db2.gz CDXJSUCDGHOVAG-BJOHPYRUSA-N -1 3 384.454 3.706 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCC2)c([N+](=O)[O-])s1 ZINC001210786176 1027651071 /nfs/dbraw/zinc/65/10/71/1027651071.db2.gz JBZKIVNEFLZJGN-UHFFFAOYSA-N -1 3 380.491 3.656 20 5 GHBDHM O=C(Nc1ncc([O-])cc1Br)c1cccc2nc3ccccc3nc21 ZINC001153864998 1031779288 /nfs/dbraw/zinc/77/92/88/1031779288.db2.gz YVNKRJJLPBCNAH-UHFFFAOYSA-N -1 3 395.216 3.898 20 5 GHBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001462813148 1070564100 /nfs/dbraw/zinc/56/41/00/1070564100.db2.gz GBWFACLJRCTIGA-GWCFXTLKSA-N -1 3 380.388 3.861 20 5 GHBDHM Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)cc1C ZINC001306454694 1048674751 /nfs/dbraw/zinc/67/47/51/1048674751.db2.gz STUJOICQJYZBMW-UHFFFAOYSA-N -1 3 380.360 3.752 20 5 GHBDHM Cc1cccc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c1[N+](=O)[O-] ZINC001287627011 1048856121 /nfs/dbraw/zinc/85/61/21/1048856121.db2.gz SUJYNTSRLBCYRB-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM CCC1CN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC001307134980 1049097033 /nfs/dbraw/zinc/09/70/33/1049097033.db2.gz HBKUKRFXPRIVLD-UHFFFAOYSA-N -1 3 389.477 3.859 20 5 GHBDHM COC(=O)c1cc2cccnc2c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001289230382 1049377374 /nfs/dbraw/zinc/37/73/74/1049377374.db2.gz SVXMQGMDLRVZJL-UHFFFAOYSA-N -1 3 385.763 3.835 20 5 GHBDHM CC(C)[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309383581 1050662568 /nfs/dbraw/zinc/66/25/68/1050662568.db2.gz AOYJVWBCTHYGCL-BEFAXECRSA-N -1 3 392.452 3.972 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001309798677 1050979040 /nfs/dbraw/zinc/97/90/40/1050979040.db2.gz PVUALWKMNLFLOJ-CYBMUJFWSA-N -1 3 376.768 3.533 20 5 GHBDHM CC(=O)c1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)s1 ZINC001353965065 1056195844 /nfs/dbraw/zinc/19/58/44/1056195844.db2.gz WFKXEIOSBDWBJF-UHFFFAOYSA-N -1 3 395.396 3.737 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)ccc1Cl ZINC001338510361 1058604397 /nfs/dbraw/zinc/60/43/97/1058604397.db2.gz AINRFFNATHYVKS-UHFFFAOYSA-N -1 3 395.868 3.645 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])c2)n1 ZINC001464237763 1064921437 /nfs/dbraw/zinc/92/14/37/1064921437.db2.gz OAXREXIEPALRIT-UHFFFAOYSA-N -1 3 396.378 3.640 20 5 GHBDHM Cc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)oc1Br ZINC001352541878 1065114211 /nfs/dbraw/zinc/11/42/11/1065114211.db2.gz UCFOGQMVOYCSMI-UHFFFAOYSA-N -1 3 397.181 3.672 20 5 GHBDHM CCCN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC001467902891 1067521367 /nfs/dbraw/zinc/52/13/67/1067521367.db2.gz JFVGVSSYCDFFKI-KRWDZBQOSA-N -1 3 391.855 3.767 20 5 GHBDHM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001475045188 1074706927 /nfs/dbraw/zinc/70/69/27/1074706927.db2.gz DXEMMHDDFKMJSU-UHFFFAOYSA-N -1 3 394.468 3.861 20 5 GHBDHM CCCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC001475094127 1074734564 /nfs/dbraw/zinc/73/45/64/1074734564.db2.gz LWYFQTWGJAHRPZ-UHFFFAOYSA-N -1 3 380.388 3.862 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc(Nc3ncccc3-c3nnn[n-]3)c2)cc1 ZINC000738367302 599232113 /nfs/dbraw/zinc/23/21/13/599232113.db2.gz PZWOWPZWKKISMR-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2cccc(Nc3ncccc3-c3nn[n-]n3)c2)cc1 ZINC000738367302 599232116 /nfs/dbraw/zinc/23/21/16/599232116.db2.gz PZWOWPZWKKISMR-UHFFFAOYSA-N -1 3 375.348 3.706 20 5 GHBDHM CC(C)CCOc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735819799 598243255 /nfs/dbraw/zinc/24/32/55/598243255.db2.gz LRSFJQOAWBXTEA-CYBMUJFWSA-N -1 3 397.439 3.768 20 5 GHBDHM CC(C)CCOc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735819799 598243256 /nfs/dbraw/zinc/24/32/56/598243256.db2.gz LRSFJQOAWBXTEA-CYBMUJFWSA-N -1 3 397.439 3.768 20 5 GHBDHM C[C@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820298861 599489717 /nfs/dbraw/zinc/48/97/17/599489717.db2.gz BPZMJLKUBSRIEN-LLVKDONJSA-N -1 3 393.382 3.505 20 5 GHBDHM C[C@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820298861 599489720 /nfs/dbraw/zinc/48/97/20/599489720.db2.gz BPZMJLKUBSRIEN-LLVKDONJSA-N -1 3 393.382 3.505 20 5 GHBDHM C[C@@H](c1ccncc1)N1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833552163 604929538 /nfs/dbraw/zinc/92/95/38/604929538.db2.gz WWJPJBWUOSOEBE-UJAVWCLSSA-N -1 3 396.447 3.725 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823639938 606591248 /nfs/dbraw/zinc/59/12/48/606591248.db2.gz MQXGIGWBMQPJSP-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823639938 606591249 /nfs/dbraw/zinc/59/12/49/606591249.db2.gz MQXGIGWBMQPJSP-UHFFFAOYSA-N -1 3 397.725 3.609 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)sc2c1 ZINC000823644641 607006133 /nfs/dbraw/zinc/00/61/33/607006133.db2.gz JTUSBZCOLWXZKK-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)sc2c1 ZINC000823644641 607006136 /nfs/dbraw/zinc/00/61/36/607006136.db2.gz JTUSBZCOLWXZKK-UHFFFAOYSA-N -1 3 388.409 3.816 20 5 GHBDHM O=[N+]([O-])c1ccc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3Cl)co2)cc1 ZINC000826498387 608019979 /nfs/dbraw/zinc/01/99/79/608019979.db2.gz SHQFPQILODMAFN-UHFFFAOYSA-N -1 3 397.782 3.695 20 5 GHBDHM O=C(CC/C=C\c1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405355 608165435 /nfs/dbraw/zinc/16/54/35/608165435.db2.gz CMGZALQUMCRPSI-YWEYNIOJSA-N -1 3 398.810 3.860 20 5 GHBDHM O=C(CC/C=C\c1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405355 608165436 /nfs/dbraw/zinc/16/54/36/608165436.db2.gz CMGZALQUMCRPSI-YWEYNIOJSA-N -1 3 398.810 3.860 20 5 GHBDHM CC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000825147332 608231895 /nfs/dbraw/zinc/23/18/95/608231895.db2.gz IISXJYOAWMCPFH-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM CC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000825147332 608231897 /nfs/dbraw/zinc/23/18/97/608231897.db2.gz IISXJYOAWMCPFH-INIZCTEOSA-N -1 3 375.392 3.886 20 5 GHBDHM Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000826271422 608293932 /nfs/dbraw/zinc/29/39/32/608293932.db2.gz QOGUNNIAWFTHNS-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM Cc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000826271422 608293934 /nfs/dbraw/zinc/29/39/34/608293934.db2.gz QOGUNNIAWFTHNS-UHFFFAOYSA-N -1 3 387.403 3.757 20 5 GHBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H](c1ccccc1)C1CC1 ZINC000826450401 608311942 /nfs/dbraw/zinc/31/19/42/608311942.db2.gz KTKFIVQSOTWQSY-HNNXBMFYSA-N -1 3 398.810 3.561 20 5 GHBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H](c1ccccc1)C1CC1 ZINC000826450401 608311944 /nfs/dbraw/zinc/31/19/44/608311944.db2.gz KTKFIVQSOTWQSY-HNNXBMFYSA-N -1 3 398.810 3.561 20 5 GHBDHM CC[C@H](C)CCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825059847 609509224 /nfs/dbraw/zinc/50/92/24/609509224.db2.gz LFRJYWXKONAJIK-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CC[C@H](C)CCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825059847 609509226 /nfs/dbraw/zinc/50/92/26/609509226.db2.gz LFRJYWXKONAJIK-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCOC(=O)c1cc([N-]C(=O)c2c(OCC)cccc2[N+](=O)[O-])c(F)cc1C ZINC000580788806 837417824 /nfs/dbraw/zinc/41/78/24/837417824.db2.gz QRSWOXYMKYPBJZ-UHFFFAOYSA-N -1 3 390.367 3.870 20 5 GHBDHM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001211632356 835986466 /nfs/dbraw/zinc/98/64/66/835986466.db2.gz MXEBMCSQXILBBY-UHFFFAOYSA-N -1 3 384.479 3.659 20 5 GHBDHM Cc1c([N-]C(=O)c2ncoc2[C@H]2CCCO2)cc(Br)cc1[N+](=O)[O-] ZINC000431240661 844253921 /nfs/dbraw/zinc/25/39/21/844253921.db2.gz WKOYZSAEFQIYNE-GFCCVEGCSA-N -1 3 396.197 3.758 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000255217726 839864643 /nfs/dbraw/zinc/86/46/43/839864643.db2.gz SDXXBFSKVKKFGD-WCIBSUBMSA-N -1 3 376.372 3.718 20 5 GHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000500138033 841507305 /nfs/dbraw/zinc/50/73/05/841507305.db2.gz BLQCUJHJIZTILJ-UHFFFAOYSA-N -1 3 392.202 3.548 20 5 GHBDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000150806278 843036105 /nfs/dbraw/zinc/03/61/05/843036105.db2.gz GUCOVZJDHFRQJM-UHFFFAOYSA-N -1 3 385.243 3.759 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c([N+](=O)[O-])c1 ZINC000792631269 881340935 /nfs/dbraw/zinc/34/09/35/881340935.db2.gz GSIQLYAWZAERGF-UHFFFAOYSA-N -1 3 399.315 3.597 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)o1 ZINC000502969503 846673760 /nfs/dbraw/zinc/67/37/60/846673760.db2.gz MFUHKQGQPKHCOS-MSQAHXEGSA-N -1 3 392.415 3.865 20 5 GHBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000502351824 847816673 /nfs/dbraw/zinc/81/66/73/847816673.db2.gz HQPVEJMIVLBCDH-UHFFFAOYSA-N -1 3 384.841 3.514 20 5 GHBDHM CCN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000550075164 851397571 /nfs/dbraw/zinc/39/75/71/851397571.db2.gz PUZJYDYAMMCOQE-APWZRJJASA-N -1 3 395.381 3.643 20 5 GHBDHM CCOC(=O)c1ccc2c(c1)nc(-c1cc(OC)c([O-])cc1[N+](=O)[O-])n2CC ZINC000436653299 852144974 /nfs/dbraw/zinc/14/49/74/852144974.db2.gz BFFTYBLOMGSVFT-UHFFFAOYSA-N -1 3 385.376 3.522 20 5 GHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2cccs2)n1 ZINC000426783443 852388330 /nfs/dbraw/zinc/38/83/30/852388330.db2.gz LHEXZBSUGGKQGN-AWEZNQCLSA-N -1 3 389.458 3.565 20 5 GHBDHM Nc1c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cc(F)cc1[N+](=O)[O-] ZINC000505986572 852842020 /nfs/dbraw/zinc/84/20/20/852842020.db2.gz JPPQLYRUUJOIGH-UHFFFAOYSA-N -1 3 379.417 3.543 20 5 GHBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000427454530 853127103 /nfs/dbraw/zinc/12/71/03/853127103.db2.gz AVSAUOICGYBMQF-UHFFFAOYSA-N -1 3 376.438 3.830 20 5 GHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000485125408 856138938 /nfs/dbraw/zinc/13/89/38/856138938.db2.gz COGOHQZHEBGPPO-UHFFFAOYSA-N -1 3 388.343 3.860 20 5 GHBDHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(C)ccc3[N+](=O)[O-])s2)c1 ZINC000172992036 856690538 /nfs/dbraw/zinc/69/05/38/856690538.db2.gz HFJLPWQRPYXAAV-UHFFFAOYSA-N -1 3 384.417 3.606 20 5 GHBDHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000508265810 857120537 /nfs/dbraw/zinc/12/05/37/857120537.db2.gz SYQWFYZXVCLVCG-CYBMUJFWSA-N -1 3 398.868 3.694 20 5 GHBDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486124318 857452912 /nfs/dbraw/zinc/45/29/12/857452912.db2.gz JPTLXXIDFUQWDZ-ARJAWSKDSA-N -1 3 385.298 3.519 20 5 GHBDHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000067454481 858573855 /nfs/dbraw/zinc/57/38/55/858573855.db2.gz ILWLXIDPBGTXEI-INIZCTEOSA-N -1 3 377.784 3.549 20 5 GHBDHM O=c1[n-]ccc(N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596216848 858818384 /nfs/dbraw/zinc/81/83/84/858818384.db2.gz NBYDYSFAQBPXSL-CYBMUJFWSA-N -1 3 393.241 3.539 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Br)c1 ZINC000727353027 860049649 /nfs/dbraw/zinc/04/96/49/860049649.db2.gz CGKYNLRMWDZHEH-HJWRWDBZSA-N -1 3 383.223 3.770 20 5 GHBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000063345090 864569124 /nfs/dbraw/zinc/56/91/24/864569124.db2.gz OMCFIUHVFSPADT-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nnn1-c1cccc(Cl)c1 ZINC000128489774 865557940 /nfs/dbraw/zinc/55/79/40/865557940.db2.gz NSXGTEPQPALYKN-UHFFFAOYSA-N -1 3 393.737 3.668 20 5 GHBDHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274179 867163148 /nfs/dbraw/zinc/16/31/48/867163148.db2.gz PSHVCQHUUOEGDG-JTQLQIEISA-N -1 3 379.276 3.604 20 5 GHBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000021184239 867218816 /nfs/dbraw/zinc/21/88/16/867218816.db2.gz GLIHXIWZUBUGHW-HXUWFJFHSA-N -1 3 398.440 3.671 20 5 GHBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cc(-c2ccco2)on1 ZINC000560131594 867615785 /nfs/dbraw/zinc/61/57/85/867615785.db2.gz JYUFZEYGQOVETI-UHFFFAOYSA-N -1 3 378.138 3.858 20 5 GHBDHM C[C@@H]1C[C@@H]1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462720352 869970581 /nfs/dbraw/zinc/97/05/81/869970581.db2.gz HROPWAMIZKASNS-HYSWKAIVSA-N -1 3 380.853 3.924 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000525404420 870635176 /nfs/dbraw/zinc/63/51/76/870635176.db2.gz NDWWKWVIIGFOSI-UHFFFAOYSA-N -1 3 387.244 3.869 20 5 GHBDHM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc(C(C)C)n1 ZINC000447349042 871455466 /nfs/dbraw/zinc/45/54/66/871455466.db2.gz URTXZFUCUZHBIT-UHFFFAOYSA-N -1 3 385.243 3.893 20 5 GHBDHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770320241 874595980 /nfs/dbraw/zinc/59/59/80/874595980.db2.gz UANWHIGDEHSRBS-UHFFFAOYSA-N -1 3 394.103 3.925 20 5 GHBDHM COc1ccc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000551434964 877184159 /nfs/dbraw/zinc/18/41/59/877184159.db2.gz MPMMTUATYZOPGC-NRFANRHFSA-N -1 3 384.432 3.745 20 5 GHBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)ccc1[O-] ZINC000531015351 878951782 /nfs/dbraw/zinc/95/17/82/878951782.db2.gz UDJJKQZIUARDAI-UHFFFAOYSA-N -1 3 394.225 3.894 20 5 GHBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000461115957 879199746 /nfs/dbraw/zinc/19/97/46/879199746.db2.gz ZJKCXMUTLKDVKN-UHFFFAOYSA-N -1 3 399.266 3.650 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000531364766 879704735 /nfs/dbraw/zinc/70/47/35/879704735.db2.gz WTCRHPFKFLMHDB-UHFFFAOYSA-N -1 3 398.400 3.840 20 5 GHBDHM COc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cc([N+](=O)[O-])c1C ZINC000790638097 879876436 /nfs/dbraw/zinc/87/64/36/879876436.db2.gz ZZZMNIJKLJVWEU-UHFFFAOYSA-N -1 3 388.380 3.822 20 5 GHBDHM COc1cc(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)c([N+](=O)[O-])cc1[O-] ZINC000453605705 881131057 /nfs/dbraw/zinc/13/10/57/881131057.db2.gz CFDKIESUYXQWQK-UHFFFAOYSA-N -1 3 397.353 3.799 20 5 GHBDHM Cc1nc(C)c(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(=O)[n-]1 ZINC000609762823 883651381 /nfs/dbraw/zinc/65/13/81/883651381.db2.gz WGIDVPHQZAATOC-UHFFFAOYSA-N -1 3 394.387 3.681 20 5 GHBDHM COc1cc(CN[C@H]2CC(C)(C)Oc3cc(F)ccc32)c([N+](=O)[O-])cc1[O-] ZINC000532471663 885678852 /nfs/dbraw/zinc/67/88/52/885678852.db2.gz VEYDPEVATUQZOA-AWEZNQCLSA-N -1 3 376.384 3.840 20 5 GHBDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001184533768 913267717 /nfs/dbraw/zinc/26/77/17/913267717.db2.gz HPWDWVIAIDDMEH-LLVKDONJSA-N -1 3 393.303 3.850 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000747978462 893166362 /nfs/dbraw/zinc/16/63/62/893166362.db2.gz NXOSBXFFKLPFGZ-UHFFFAOYSA-N -1 3 379.710 3.564 20 5 GHBDHM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000817038254 895286330 /nfs/dbraw/zinc/28/63/30/895286330.db2.gz CXKBRCFBNNUYDX-UHFFFAOYSA-N -1 3 379.319 3.646 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000578039428 903466992 /nfs/dbraw/zinc/46/69/92/903466992.db2.gz PAUWAOTZNDHJFW-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc4ccccc43)no2)c1Br ZINC001212837668 903515126 /nfs/dbraw/zinc/51/51/26/903515126.db2.gz XTALEQITDJBVKX-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc4ccccc43)no2)c1Br ZINC001212837668 903515132 /nfs/dbraw/zinc/51/51/32/903515132.db2.gz XTALEQITDJBVKX-UHFFFAOYSA-N -1 3 386.165 3.951 20 5 GHBDHM Cc1cc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1Br ZINC001212937152 911786169 /nfs/dbraw/zinc/78/61/69/911786169.db2.gz QJLOYQPPQVQGHA-UHFFFAOYSA-N -1 3 395.144 3.622 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3ccnc4ccccc43)no2)[n-]nc1C(F)(F)F ZINC001212972916 916164474 /nfs/dbraw/zinc/16/44/74/916164474.db2.gz MBNKHFDUXJMAHZ-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c(F)cc1[N+](=O)[O-] ZINC001190840539 917593192 /nfs/dbraw/zinc/59/31/92/917593192.db2.gz UPRGFSSFNABYIU-HAQNSBGRSA-N -1 3 398.843 3.920 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000903631132 923140187 /nfs/dbraw/zinc/14/01/87/923140187.db2.gz KHQIVAMKJAGAIY-ZDUSSCGKSA-N -1 3 387.461 3.618 20 5 GHBDHM O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000748847313 923859445 /nfs/dbraw/zinc/85/94/45/923859445.db2.gz NRTPCUKLZCJASQ-UHFFFAOYSA-N -1 3 396.428 3.572 20 5 GHBDHM CC(=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783928663 931719964 /nfs/dbraw/zinc/71/99/64/931719964.db2.gz NVEVJTXCFGBTPT-ACCUITESSA-N -1 3 390.399 3.696 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1C ZINC001115936367 933250728 /nfs/dbraw/zinc/25/07/28/933250728.db2.gz KIPNKRDQXYGGAJ-UHFFFAOYSA-N -1 3 389.408 3.942 20 5 GHBDHM C[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576216846 950745153 /nfs/dbraw/zinc/74/51/53/950745153.db2.gz JLIRQZVVHJWHED-ZJUUUORDSA-N -1 3 398.448 3.775 20 5 GHBDHM C[C@@H]1CCc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576216846 950745167 /nfs/dbraw/zinc/74/51/67/950745167.db2.gz JLIRQZVVHJWHED-ZJUUUORDSA-N -1 3 398.448 3.775 20 5 GHBDHM Cc1cccc([C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001574394826 961201559 /nfs/dbraw/zinc/20/15/59/961201559.db2.gz FNCPTYOQFHCFRB-OAHLLOKOSA-N -1 3 379.210 3.581 20 5 GHBDHM O=C([O-])[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000903907350 981032519 /nfs/dbraw/zinc/03/25/19/981032519.db2.gz VNXITIUIHZYJAO-ZOWXZIJZSA-N -1 3 397.269 3.823 20 5 GHBDHM C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593223368 994339142 /nfs/dbraw/zinc/33/91/42/994339142.db2.gz NXZRHXAVYBYKMC-OBJOEFQTSA-N -1 3 375.450 3.812 20 5 GHBDHM COc1cc(O[C@@H]2CCOC(C)(C)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646105 1032500440 /nfs/dbraw/zinc/50/04/40/1032500440.db2.gz NLFIEMZKRZASMA-LLVKDONJSA-N -1 3 386.400 3.702 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743454 1032540127 /nfs/dbraw/zinc/54/01/27/1032540127.db2.gz PNTDWUIDKUZRJH-OAHLLOKOSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743454 1032540130 /nfs/dbraw/zinc/54/01/30/1032540130.db2.gz PNTDWUIDKUZRJH-OAHLLOKOSA-N -1 3 388.424 3.640 20 5 GHBDHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2C1 ZINC000573564274 1019833125 /nfs/dbraw/zinc/83/31/25/1019833125.db2.gz FAFLFGPVCKTKNC-UHFFFAOYSA-N -1 3 375.450 3.511 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228671232 1033035761 /nfs/dbraw/zinc/03/57/61/1033035761.db2.gz FQFDUMSDFWONBK-QWHCGFSZSA-N -1 3 390.440 3.946 20 5 GHBDHM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689312 1033047063 /nfs/dbraw/zinc/04/70/63/1033047063.db2.gz QZHGLOFINSHCQV-TZMCWYRMSA-N -1 3 381.429 3.562 20 5 GHBDHM COc1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])cc([N+](=O)[O-])c1C ZINC001141436836 1025052423 /nfs/dbraw/zinc/05/24/23/1025052423.db2.gz IGMAWDQCBQQEJZ-UHFFFAOYSA-N -1 3 395.209 3.941 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001164225739 1026456922 /nfs/dbraw/zinc/45/69/22/1026456922.db2.gz KZQXAKCQJRNXQX-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164226564 1026458309 /nfs/dbraw/zinc/45/83/09/1026458309.db2.gz VFBUFRZBNSBDGT-LURJTMIESA-N -1 3 386.721 3.528 20 5 GHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC001210312146 1027443902 /nfs/dbraw/zinc/44/39/02/1027443902.db2.gz VAGRBDWGIYVUSH-QWHCGFSZSA-N -1 3 392.399 3.861 20 5 GHBDHM CC(C)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001213689926 1028332992 /nfs/dbraw/zinc/33/29/92/1028332992.db2.gz BBPDVGNGHZQAIA-INIZCTEOSA-N -1 3 382.869 3.794 20 5 GHBDHM CCOC(=O)c1cc(C(=O)[N-]c2cccc(F)c2SC)cc([N+](=O)[O-])c1 ZINC001461501427 1069580262 /nfs/dbraw/zinc/58/02/62/1069580262.db2.gz ABCAFNMOOAGFMW-UHFFFAOYSA-N -1 3 378.381 3.885 20 5 GHBDHM CCOC(=O)[C@@H](C)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233497041 1039392050 /nfs/dbraw/zinc/39/20/50/1039392050.db2.gz DLXONGBDOCVOTD-KGFZYKRKSA-N -1 3 395.721 3.633 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](Sc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001309729931 1050943507 /nfs/dbraw/zinc/94/35/07/1050943507.db2.gz CVGUJOAYCFEROO-MQMHXKEQSA-N -1 3 396.465 3.644 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337476128 1052481498 /nfs/dbraw/zinc/48/14/98/1052481498.db2.gz WASLVFGUAGSTPR-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM COc1ccc(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2OC)cc1 ZINC001321212831 1056161103 /nfs/dbraw/zinc/16/11/03/1056161103.db2.gz HWMKKLWONJPEDA-UHFFFAOYSA-N -1 3 395.371 3.632 20 5 GHBDHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001447129577 1059932461 /nfs/dbraw/zinc/93/24/61/1059932461.db2.gz LQNMDQZORZBUKF-UHFFFAOYSA-N -1 3 397.818 3.895 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(-c3cccnc3)cs2)c1F ZINC001449273587 1060371034 /nfs/dbraw/zinc/37/10/34/1060371034.db2.gz RUIIHWANVOVABS-UHFFFAOYSA-N -1 3 376.344 3.952 20 5 GHBDHM Nc1c(C(=O)Nc2c([O-])cccc2Cl)cc(Br)cc1[N+](=O)[O-] ZINC001450259381 1060565146 /nfs/dbraw/zinc/56/51/46/1060565146.db2.gz DRIATYBHHXJZDB-UHFFFAOYSA-N -1 3 386.589 3.551 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc([N+](=O)[O-])c1F ZINC001341523303 1060730163 /nfs/dbraw/zinc/73/01/63/1060730163.db2.gz OTGGQZBVBDOUIE-UHFFFAOYSA-N -1 3 393.371 3.773 20 5 GHBDHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)s1 ZINC001454455682 1061786131 /nfs/dbraw/zinc/78/61/31/1061786131.db2.gz DNCJSHHJNYEAQY-UHFFFAOYSA-N -1 3 380.451 3.742 20 5 GHBDHM C[C@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463471014 1064382284 /nfs/dbraw/zinc/38/22/84/1064382284.db2.gz KVKXWCAMFWCTDT-KPZWWZAWSA-N -1 3 378.425 3.726 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)cc1C ZINC001475342315 1074840505 /nfs/dbraw/zinc/84/05/05/1074840505.db2.gz SWMONCCDASCAPC-ZDUSSCGKSA-N -1 3 376.425 3.706 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001475516817 1074902419 /nfs/dbraw/zinc/90/24/19/1074902419.db2.gz UBJPTERJYBRGBV-LLVKDONJSA-N -1 3 396.852 3.613 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2C=CCC2)c(C(F)(F)F)c1 ZINC001475639176 1074990327 /nfs/dbraw/zinc/99/03/27/1074990327.db2.gz PVOQTNOOMFRSPL-LLVKDONJSA-N -1 3 378.372 3.638 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCO[C@H]1CCCc2ccccc21 ZINC000738357076 598870695 /nfs/dbraw/zinc/87/06/95/598870695.db2.gz AGSDTXONZZGOEY-IBGZPJMESA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCO[C@H]1CCCc2ccccc21 ZINC000738357076 598870697 /nfs/dbraw/zinc/87/06/97/598870697.db2.gz AGSDTXONZZGOEY-IBGZPJMESA-N -1 3 394.435 3.671 20 5 GHBDHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)n1 ZINC000820196748 599042933 /nfs/dbraw/zinc/04/29/33/599042933.db2.gz BSAYHZZOIHNDOC-ZDUSSCGKSA-N -1 3 399.480 3.739 20 5 GHBDHM CC(C)c1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)n1 ZINC000820196748 599042936 /nfs/dbraw/zinc/04/29/36/599042936.db2.gz BSAYHZZOIHNDOC-ZDUSSCGKSA-N -1 3 399.480 3.739 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000738360268 598246029 /nfs/dbraw/zinc/24/60/29/598246029.db2.gz UOZJSEHHICSOFK-FZMZJTMJSA-N -1 3 390.325 3.762 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000738360268 598246031 /nfs/dbraw/zinc/24/60/31/598246031.db2.gz UOZJSEHHICSOFK-FZMZJTMJSA-N -1 3 390.325 3.762 20 5 GHBDHM C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736194197 598491737 /nfs/dbraw/zinc/49/17/37/598491737.db2.gz XOBJQQBFMICWRW-NEPJUHHUSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736194197 598491738 /nfs/dbraw/zinc/49/17/38/598491738.db2.gz XOBJQQBFMICWRW-NEPJUHHUSA-N -1 3 399.432 3.560 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735912846 599325224 /nfs/dbraw/zinc/32/52/24/599325224.db2.gz IMEPCPXTNIJFFA-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735912846 599325227 /nfs/dbraw/zinc/32/52/27/599325227.db2.gz IMEPCPXTNIJFFA-UHFFFAOYSA-N -1 3 388.815 3.828 20 5 GHBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000736634075 599328022 /nfs/dbraw/zinc/32/80/22/599328022.db2.gz FMQZZMXXOKDGLW-UHFFFAOYSA-N -1 3 398.423 3.573 20 5 GHBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000736634075 599328024 /nfs/dbraw/zinc/32/80/24/599328024.db2.gz FMQZZMXXOKDGLW-UHFFFAOYSA-N -1 3 398.423 3.573 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736964308 599443854 /nfs/dbraw/zinc/44/38/54/599443854.db2.gz WVTMKAFOGUBULL-QFYYESIMSA-N -1 3 388.815 3.616 20 5 GHBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736964308 599443859 /nfs/dbraw/zinc/44/38/59/599443859.db2.gz WVTMKAFOGUBULL-QFYYESIMSA-N -1 3 388.815 3.616 20 5 GHBDHM CCc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821486701 599478044 /nfs/dbraw/zinc/47/80/44/599478044.db2.gz KGENYOYYDUIUSQ-UHFFFAOYSA-N -1 3 381.421 3.559 20 5 GHBDHM CCc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821486701 599478047 /nfs/dbraw/zinc/47/80/47/599478047.db2.gz KGENYOYYDUIUSQ-UHFFFAOYSA-N -1 3 381.421 3.559 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822229496 599491213 /nfs/dbraw/zinc/49/12/13/599491213.db2.gz VVYLNKBSUCEEGT-SNVBAGLBSA-N -1 3 381.421 3.866 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822229496 599491215 /nfs/dbraw/zinc/49/12/15/599491215.db2.gz VVYLNKBSUCEEGT-SNVBAGLBSA-N -1 3 381.421 3.866 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4cc(F)ccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645573 599494750 /nfs/dbraw/zinc/49/47/50/599494750.db2.gz UCTDFZXPDCDSIV-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4cc(F)ccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823645573 599494752 /nfs/dbraw/zinc/49/47/52/599494752.db2.gz UCTDFZXPDCDSIV-MRXNPFEDSA-N -1 3 391.366 3.562 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823635345 606429744 /nfs/dbraw/zinc/42/97/44/606429744.db2.gz WGSDEPZFSVJRFF-UHFFFAOYSA-N -1 3 392.238 3.830 20 5 GHBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823635345 606429746 /nfs/dbraw/zinc/42/97/46/606429746.db2.gz WGSDEPZFSVJRFF-UHFFFAOYSA-N -1 3 392.238 3.830 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000823640237 606802860 /nfs/dbraw/zinc/80/28/60/606802860.db2.gz YNOICVCATOCOJX-UHFFFAOYSA-N -1 3 380.383 3.598 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000823640237 606802862 /nfs/dbraw/zinc/80/28/62/606802862.db2.gz YNOICVCATOCOJX-UHFFFAOYSA-N -1 3 380.383 3.598 20 5 GHBDHM CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379214 607797313 /nfs/dbraw/zinc/79/73/13/607797313.db2.gz CRYHWFPJUYMQIU-UHFFFAOYSA-N -1 3 394.416 3.656 20 5 GHBDHM CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379214 607797314 /nfs/dbraw/zinc/79/73/14/607797314.db2.gz CRYHWFPJUYMQIU-UHFFFAOYSA-N -1 3 394.416 3.656 20 5 GHBDHM O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000577664030 834637571 /nfs/dbraw/zinc/63/75/71/834637571.db2.gz ZTBMPZQCTTWQTM-UHFFFAOYSA-N -1 3 388.742 3.802 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCCCCc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC001211589008 834662670 /nfs/dbraw/zinc/66/26/70/834662670.db2.gz FURZNQKVVOZFOV-UHFFFAOYSA-N -1 3 398.431 3.873 20 5 GHBDHM O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187032356 834973688 /nfs/dbraw/zinc/97/36/88/834973688.db2.gz GSOHRCKGSYXVAJ-GFCCVEGCSA-N -1 3 396.428 3.677 20 5 GHBDHM CC(C)(C)c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)s1 ZINC000180542740 837341453 /nfs/dbraw/zinc/34/14/53/837341453.db2.gz FPFFSFQLNSSJEH-UHFFFAOYSA-N -1 3 385.243 3.759 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000549255742 839625155 /nfs/dbraw/zinc/62/51/55/839625155.db2.gz URQAKVLGCFSVIC-HUUCEWRRSA-N -1 3 382.807 3.802 20 5 GHBDHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000050292416 839759970 /nfs/dbraw/zinc/75/99/70/839759970.db2.gz QLVQGPLOKDMJAJ-UHFFFAOYSA-N -1 3 375.435 3.775 20 5 GHBDHM CCOC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417607190 841052175 /nfs/dbraw/zinc/05/21/75/841052175.db2.gz MEUYNIPJIYFIPR-AWEZNQCLSA-N -1 3 394.811 3.620 20 5 GHBDHM COc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000124911008 841052475 /nfs/dbraw/zinc/05/24/75/841052475.db2.gz GOEQAWURJOMKSX-OKILXGFUSA-N -1 3 387.436 3.535 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(CC(F)(F)F)cc2)s1 ZINC000302143393 861219032 /nfs/dbraw/zinc/21/90/32/861219032.db2.gz GBNICGJXTKLHIC-UHFFFAOYSA-N -1 3 380.369 3.908 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)c(F)c1 ZINC000604037105 861612008 /nfs/dbraw/zinc/61/20/08/861612008.db2.gz NTNOKDLDSCDLCK-UHFFFAOYSA-N -1 3 393.223 3.562 20 5 GHBDHM O=C(C[C@@H]1CCc2ccccc2C1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000481615991 861888519 /nfs/dbraw/zinc/88/85/19/861888519.db2.gz UOQJYCRSQWHNIV-CQSZACIVSA-N -1 3 376.416 3.541 20 5 GHBDHM COc1cc(CNc2ccc(C)c(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1[O-] ZINC000487211427 850563857 /nfs/dbraw/zinc/56/38/57/850563857.db2.gz ZMQXUXPZXNZUIJ-UHFFFAOYSA-N -1 3 399.447 3.856 20 5 GHBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000550183991 851841847 /nfs/dbraw/zinc/84/18/47/851841847.db2.gz LEBMHXZCJUYWFN-UHFFFAOYSA-N -1 3 393.169 3.707 20 5 GHBDHM CC1CCN([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000436635029 852128713 /nfs/dbraw/zinc/12/87/13/852128713.db2.gz OKKREWUEHKAFMF-LJQANCHMSA-N -1 3 383.448 3.503 20 5 GHBDHM COc1cc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc(Br)c1[O-] ZINC000436657851 852147485 /nfs/dbraw/zinc/14/74/85/852147485.db2.gz RKVBIQPOTGWAFR-UHFFFAOYSA-N -1 3 378.182 3.625 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847585 852264053 /nfs/dbraw/zinc/26/40/53/852264053.db2.gz FIQDIWOQGCOPHA-HNNXBMFYSA-N -1 3 390.465 3.736 20 5 GHBDHM CCn1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c2ccccc21 ZINC000517716890 852302194 /nfs/dbraw/zinc/30/21/94/852302194.db2.gz PJFVZGICLIGQGD-UHFFFAOYSA-N -1 3 375.388 3.634 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCSc2ccccc21 ZINC000439150146 853324418 /nfs/dbraw/zinc/32/44/18/853324418.db2.gz GKLSFIRQJRGUMM-HNNXBMFYSA-N -1 3 380.429 3.625 20 5 GHBDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000520073420 853794320 /nfs/dbraw/zinc/79/43/20/853794320.db2.gz GRBDZDKBMUBGIA-GFCCVEGCSA-N -1 3 398.868 3.556 20 5 GHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000572415293 854485192 /nfs/dbraw/zinc/48/51/92/854485192.db2.gz ZXOBTUBPAOBOOW-ZQIUZPCESA-N -1 3 394.468 3.713 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCCCCC2)c1 ZINC001211865473 855357077 /nfs/dbraw/zinc/35/70/77/855357077.db2.gz PQDXENRJMHWDIR-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM CCOc1cc([N-]C(=O)c2oc(C3CC3)nc2C)c([N+](=O)[O-])cc1OCC ZINC000273511767 855606361 /nfs/dbraw/zinc/60/63/61/855606361.db2.gz USFJRDSQCILFGX-UHFFFAOYSA-N -1 3 375.381 3.818 20 5 GHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000485184456 856204583 /nfs/dbraw/zinc/20/45/83/856204583.db2.gz CCIZITIEHATUGA-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM CCOc1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1OC ZINC000173069547 856717469 /nfs/dbraw/zinc/71/74/69/856717469.db2.gz LIIQVOJQMWCNJQ-UHFFFAOYSA-N -1 3 383.360 3.909 20 5 GHBDHM COc1ccc(Cl)cc1C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596142145 858791214 /nfs/dbraw/zinc/79/12/14/858791214.db2.gz FBWWGWBXBLBCBH-LBPRGKRZSA-N -1 3 377.828 3.817 20 5 GHBDHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183559 858800390 /nfs/dbraw/zinc/80/03/90/858800390.db2.gz GFNUCMDEBHUWON-YMTOWFKASA-N -1 3 382.214 3.646 20 5 GHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000466277463 858958603 /nfs/dbraw/zinc/95/86/03/858958603.db2.gz ZPYSOPUJCHXFBQ-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM COc1ccccc1Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484265943 859916364 /nfs/dbraw/zinc/91/63/64/859916364.db2.gz FMSZWDSABCBTBH-UHFFFAOYSA-N -1 3 381.344 3.749 20 5 GHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000026562578 860525774 /nfs/dbraw/zinc/52/57/74/860525774.db2.gz QXDYMUVFGSUSEP-UHFFFAOYSA-N -1 3 379.398 3.819 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C2CC2)c([N+](=O)[O-])s1 ZINC001212187938 861043607 /nfs/dbraw/zinc/04/36/07/861043607.db2.gz LLQXILMBAPLJKC-KRWDZBQOSA-N -1 3 380.491 3.654 20 5 GHBDHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534248726 866373868 /nfs/dbraw/zinc/37/38/68/866373868.db2.gz CGPZFEPBJBJSAI-UHFFFAOYSA-N -1 3 376.166 3.797 20 5 GHBDHM CC1CCC(C)([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000742286690 867196017 /nfs/dbraw/zinc/19/60/17/867196017.db2.gz ZAEGBRQEPKFTJC-UHFFFAOYSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)Cc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000745334394 869464347 /nfs/dbraw/zinc/46/43/47/869464347.db2.gz GRWPTHIXSBJLNP-JTQLQIEISA-N -1 3 387.417 3.769 20 5 GHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000446193920 869499668 /nfs/dbraw/zinc/49/96/68/869499668.db2.gz XDFPAAJFCIBURC-UHFFFAOYSA-N -1 3 392.749 3.899 20 5 GHBDHM COc1cc(CNc2nnc(CCCc3cccs3)o2)c([N+](=O)[O-])cc1[O-] ZINC000181826026 871525616 /nfs/dbraw/zinc/52/56/16/871525616.db2.gz CVMGTEMOMBZDEZ-UHFFFAOYSA-N -1 3 390.421 3.541 20 5 GHBDHM O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1)c1ccsc1 ZINC000772842944 882624495 /nfs/dbraw/zinc/62/44/95/882624495.db2.gz DSIXYYYBBKOBEZ-UHFFFAOYSA-N -1 3 384.369 3.833 20 5 GHBDHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448215342 873023293 /nfs/dbraw/zinc/02/32/93/873023293.db2.gz VCEUODASVFORND-UHFFFAOYSA-N -1 3 385.323 3.841 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000195524293 882904674 /nfs/dbraw/zinc/90/46/74/882904674.db2.gz KDIPWPZUEZUCFI-UHFFFAOYSA-N -1 3 399.476 3.870 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Br)c(Br)c2)c1 ZINC001199814699 875197393 /nfs/dbraw/zinc/19/73/93/875197393.db2.gz NEYLDROJYRAGHN-UHFFFAOYSA-N -1 3 389.003 3.964 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000029965238 875759016 /nfs/dbraw/zinc/75/90/16/875759016.db2.gz YZRVUDOWTCGBBB-UHFFFAOYSA-N -1 3 394.758 3.746 20 5 GHBDHM Cn1c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nc2cccc(Cl)c21 ZINC000772424564 875954359 /nfs/dbraw/zinc/95/43/59/875954359.db2.gz VYRYRSZNRXNJDU-UHFFFAOYSA-N -1 3 394.765 3.543 20 5 GHBDHM CC(C)(C)OC(=O)NC(C)(C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)on1 ZINC000854125978 879561827 /nfs/dbraw/zinc/56/18/27/879561827.db2.gz BRESUBHKZKXVEG-UHFFFAOYSA-N -1 3 390.396 3.595 20 5 GHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncnc3oc(C)c(C)c32)cc1SC ZINC000609814133 883717896 /nfs/dbraw/zinc/71/78/96/883717896.db2.gz DVWAZEMDQYSTCQ-UHFFFAOYSA-N -1 3 388.405 3.731 20 5 GHBDHM O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000919047578 884805260 /nfs/dbraw/zinc/80/52/60/884805260.db2.gz WHQDJCSZEFUWHT-UHFFFAOYSA-N -1 3 383.147 3.637 20 5 GHBDHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000811395061 889536291 /nfs/dbraw/zinc/53/62/91/889536291.db2.gz SXLLUZPEUBAPOH-UHFFFAOYSA-N -1 3 397.771 3.726 20 5 GHBDHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001136602941 898519757 /nfs/dbraw/zinc/51/97/57/898519757.db2.gz DNBLSGZXMRYANK-UHFFFAOYSA-N -1 3 395.419 3.739 20 5 GHBDHM Cc1c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000800143861 898658113 /nfs/dbraw/zinc/65/81/13/898658113.db2.gz MXFAVCALNHGZIU-UHFFFAOYSA-N -1 3 392.299 3.728 20 5 GHBDHM Cc1cccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1Cl ZINC001212837499 903531766 /nfs/dbraw/zinc/53/17/66/903531766.db2.gz OFUKIIAGHYWAPU-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM Cc1cccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1Cl ZINC001212837499 903531771 /nfs/dbraw/zinc/53/17/71/903531771.db2.gz OFUKIIAGHYWAPU-UHFFFAOYSA-N -1 3 384.577 3.759 20 5 GHBDHM O=C(CCc1cc(Cl)cs1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000579284293 904479888 /nfs/dbraw/zinc/47/98/88/904479888.db2.gz PFFIIMQKAYOYIH-UHFFFAOYSA-N -1 3 376.825 3.693 20 5 GHBDHM COc1ccc(Nc2ccc([O-])c(I)c2)cc1[N+](=O)[O-] ZINC001176364097 908078612 /nfs/dbraw/zinc/07/86/12/908078612.db2.gz YKTRIHNAZXOJPU-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM COc1cc(CNc2ccc3[nH]c(-c4ccccn4)nc3c2)c([N+](=O)[O-])cc1[O-] ZINC001178901315 909303875 /nfs/dbraw/zinc/30/38/75/909303875.db2.gz OWOJSJRRHWOKPW-UHFFFAOYSA-N -1 3 391.387 3.859 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000901934625 921748584 /nfs/dbraw/zinc/74/85/84/921748584.db2.gz OUZMXDHIOSVWBG-UHFFFAOYSA-N -1 3 375.450 3.746 20 5 GHBDHM COc1ccc(Cl)cc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972743 916159174 /nfs/dbraw/zinc/15/91/74/916159174.db2.gz HUDBJYDMUMQQBJ-UHFFFAOYSA-N -1 3 389.677 3.716 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc4ccncc43)no2)[n-]nc1C(F)(F)F ZINC001212972980 916164359 /nfs/dbraw/zinc/16/43/59/916164359.db2.gz OXSXUENSZLSYFK-UHFFFAOYSA-N -1 3 376.254 3.602 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cc(Cl)ccc3F)no2)[n-]nc1C(F)(F)F ZINC001212973126 916166239 /nfs/dbraw/zinc/16/62/39/916166239.db2.gz RMFASVIGXQANJA-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM COc1cc(CNc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000293403705 916179272 /nfs/dbraw/zinc/17/92/72/916179272.db2.gz LTUCOVUIWSLKQD-PXAZEXFGSA-N -1 3 385.420 3.682 20 5 GHBDHM O=C([N-]c1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000293785336 916381730 /nfs/dbraw/zinc/38/17/30/916381730.db2.gz AQPNJOCTHRURRM-UHFFFAOYSA-N -1 3 378.406 3.547 20 5 GHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1C ZINC001190789140 917566728 /nfs/dbraw/zinc/56/67/28/917566728.db2.gz PHWRHRDOIDHMLE-ZDUSSCGKSA-N -1 3 376.425 3.706 20 5 GHBDHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001191044042 917748669 /nfs/dbraw/zinc/74/86/69/917748669.db2.gz FAOPBORILRSZLB-IINYFYTJSA-N -1 3 380.388 3.861 20 5 GHBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700336 923219698 /nfs/dbraw/zinc/21/96/98/923219698.db2.gz BRMSUHICJOQGNE-ZBINZKHDSA-N -1 3 383.242 3.575 20 5 GHBDHM O=C([N-]N1CCCC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000780699816 930580270 /nfs/dbraw/zinc/58/02/70/930580270.db2.gz VQKRKYPDVYHWDB-UHFFFAOYSA-N -1 3 391.836 3.667 20 5 GHBDHM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1 ZINC000782848567 931352117 /nfs/dbraw/zinc/35/21/17/931352117.db2.gz FJIJSDSATVFOLR-UHFFFAOYSA-N -1 3 394.343 3.729 20 5 GHBDHM COC[C@](C)(NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000559987225 933000968 /nfs/dbraw/zinc/00/09/68/933000968.db2.gz XVPTYMXQUMEGNN-SFHVURJKSA-N -1 3 394.811 3.620 20 5 GHBDHM C[C@]1(c2ccccc2)CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001575858062 949283466 /nfs/dbraw/zinc/28/34/66/949283466.db2.gz ZTVAZWDKOWXBID-FQEVSTJZSA-N -1 3 378.436 3.723 20 5 GHBDHM C[C@]1(c2ccccc2)CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001575858062 949283479 /nfs/dbraw/zinc/28/34/79/949283479.db2.gz ZTVAZWDKOWXBID-FQEVSTJZSA-N -1 3 378.436 3.723 20 5 GHBDHM CC(C)(C)[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825706 949887957 /nfs/dbraw/zinc/88/79/57/949887957.db2.gz BIWSUXDIUIGISD-GDBMZVCRSA-N -1 3 381.440 3.950 20 5 GHBDHM CC(C)(C)[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001573825706 949887981 /nfs/dbraw/zinc/88/79/81/949887981.db2.gz BIWSUXDIUIGISD-GDBMZVCRSA-N -1 3 381.440 3.950 20 5 GHBDHM COc1cc(O[C@@H](C)COC(C)(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646126 1032501016 /nfs/dbraw/zinc/50/10/16/1032501016.db2.gz NTZREEFOSHBRAJ-NSHDSACASA-N -1 3 388.416 3.948 20 5 GHBDHM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741378 1032538181 /nfs/dbraw/zinc/53/81/81/1032538181.db2.gz NWPYQPMFZBNFLC-ZDUSSCGKSA-N -1 3 376.413 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741378 1032538191 /nfs/dbraw/zinc/53/81/91/1032538191.db2.gz NWPYQPMFZBNFLC-ZDUSSCGKSA-N -1 3 376.413 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747252 1032540754 /nfs/dbraw/zinc/54/07/54/1032540754.db2.gz ZEDYYTPVZWOZDH-HNAYVOBHSA-N -1 3 388.424 3.640 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747252 1032540763 /nfs/dbraw/zinc/54/07/63/1032540763.db2.gz ZEDYYTPVZWOZDH-HNAYVOBHSA-N -1 3 388.424 3.640 20 5 GHBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000040882808 1019197519 /nfs/dbraw/zinc/19/75/19/1019197519.db2.gz LVSQRNDIRXSNHZ-UHFFFAOYSA-N -1 3 391.409 3.963 20 5 GHBDHM O=[N+]([O-])C[C@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)c1ccc2c(c1)OCO2 ZINC001228347982 1032900942 /nfs/dbraw/zinc/90/09/42/1032900942.db2.gz XYOLRWMCIJCZND-KRWDZBQOSA-N -1 3 397.412 3.558 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1Br ZINC000194134317 1020962318 /nfs/dbraw/zinc/96/23/18/1020962318.db2.gz NPGYFDADFWEBPR-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM COc1cccc(SC)c1[N-]C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001162141978 1025628207 /nfs/dbraw/zinc/62/82/07/1025628207.db2.gz ZNBHOIKGNLPHBI-UHFFFAOYSA-N -1 3 376.419 3.582 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001139457258 1026321940 /nfs/dbraw/zinc/32/19/40/1026321940.db2.gz LJQRPZWDWQYZLJ-UHFFFAOYSA-N -1 3 378.388 3.868 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC001211346411 1027915071 /nfs/dbraw/zinc/91/50/71/1027915071.db2.gz GKMHWTAOSALDPV-CYBMUJFWSA-N -1 3 382.404 3.803 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001211477242 1027978715 /nfs/dbraw/zinc/97/87/15/1027978715.db2.gz RGZCUJISOLGYFW-AWEZNQCLSA-N -1 3 380.388 3.693 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(OC(=C([O-])c2ccccn2)c2ccccn2)c([N+](=O)[O-])c1 ZINC001225600884 1031503791 /nfs/dbraw/zinc/50/37/91/1031503791.db2.gz KKKKWDILHXIKMY-SFHVURJKSA-N -1 3 394.343 3.604 20 5 GHBDHM CC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1[O-] ZINC001160312617 1034936092 /nfs/dbraw/zinc/93/60/92/1034936092.db2.gz FJCGJGWPVRDSFK-UHFFFAOYSA-N -1 3 379.166 3.518 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001248001039 1038532787 /nfs/dbraw/zinc/53/27/87/1038532787.db2.gz XOYPQOVGTQQOFZ-UHFFFAOYSA-N -1 3 387.355 3.959 20 5 GHBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001462892807 1070633286 /nfs/dbraw/zinc/63/32/86/1070633286.db2.gz RQIDTBYKMUZMQC-UHFFFAOYSA-N -1 3 384.722 3.874 20 5 GHBDHM O=S(=O)(CCc1ccccc1F)[N-]c1cc2cccnc2c2ncccc12 ZINC001259786699 1045304406 /nfs/dbraw/zinc/30/44/06/1045304406.db2.gz KOQNUASBGDQYPR-UHFFFAOYSA-N -1 3 381.432 3.907 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)c([N+](=O)[O-])s1 ZINC001463140149 1070843722 /nfs/dbraw/zinc/84/37/22/1070843722.db2.gz QOVHFRQXSQLUPY-LLVKDONJSA-N -1 3 393.446 3.659 20 5 GHBDHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309151184 1050405058 /nfs/dbraw/zinc/40/50/58/1050405058.db2.gz LGCMMIAHURZONG-HNNXBMFYSA-N -1 3 382.869 3.938 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309358623 1050633229 /nfs/dbraw/zinc/63/32/29/1050633229.db2.gz TYJZQIVMKVXECA-ZDUSSCGKSA-N -1 3 382.404 3.857 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001309464342 1050739043 /nfs/dbraw/zinc/73/90/43/1050739043.db2.gz HQWNTDAHLSJJHS-GXTWGEPZSA-N -1 3 384.454 3.718 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)cc1 ZINC001309798678 1050979397 /nfs/dbraw/zinc/97/93/97/1050979397.db2.gz PVUALWKMNLFLOJ-ZDUSSCGKSA-N -1 3 376.768 3.533 20 5 GHBDHM CCc1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001475183374 1057257723 /nfs/dbraw/zinc/25/77/23/1057257723.db2.gz AVORPJMEEIRRRD-OAHLLOKOSA-N -1 3 394.415 3.947 20 5 GHBDHM CCN(CC)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccsc1 ZINC001441306465 1058745981 /nfs/dbraw/zinc/74/59/81/1058745981.db2.gz FDLCWAQYEJCGKO-HNNXBMFYSA-N -1 3 397.884 3.828 20 5 GHBDHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001446247387 1059735661 /nfs/dbraw/zinc/73/56/61/1059735661.db2.gz SOFQZWJZQIHORZ-OAHLLOKOSA-N -1 3 379.210 3.944 20 5 GHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001456936747 1062923625 /nfs/dbraw/zinc/92/36/25/1062923625.db2.gz OGIRCZCIBURFNQ-ULQDDVLXSA-N -1 3 398.463 3.502 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC001463856806 1064673586 /nfs/dbraw/zinc/67/35/86/1064673586.db2.gz PXSUJHXIAXBCQF-CYBMUJFWSA-N -1 3 391.287 3.604 20 5 GHBDHM CCOc1nnc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC001471298311 1073004102 /nfs/dbraw/zinc/00/41/02/1073004102.db2.gz TUMCBIMYWUBUNN-UHFFFAOYSA-N -1 3 379.442 3.502 20 5 GHBDHM CCOc1nc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC001471298311 1073004110 /nfs/dbraw/zinc/00/41/10/1073004110.db2.gz TUMCBIMYWUBUNN-UHFFFAOYSA-N -1 3 379.442 3.502 20 5 GHBDHM CCOc1n[n-]c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC001471298311 1073004116 /nfs/dbraw/zinc/00/41/16/1073004116.db2.gz TUMCBIMYWUBUNN-UHFFFAOYSA-N -1 3 379.442 3.502 20 5 GHBDHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001474931806 1074638167 /nfs/dbraw/zinc/63/81/67/1074638167.db2.gz ZYKKXNJMNIVNIX-HNNXBMFYSA-N -1 3 380.441 3.732 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738370101 598870675 /nfs/dbraw/zinc/87/06/75/598870675.db2.gz NJNUSIPMGPQNMI-IBGZPJMESA-N -1 3 394.435 3.671 20 5 GHBDHM O=[N+]([O-])c1ccc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738370101 598870677 /nfs/dbraw/zinc/87/06/77/598870677.db2.gz NJNUSIPMGPQNMI-IBGZPJMESA-N -1 3 394.435 3.671 20 5 GHBDHM Cc1ccc(CC[C@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236299 599064694 /nfs/dbraw/zinc/06/46/94/599064694.db2.gz SSNTZMPISRAIMD-NSHDSACASA-N -1 3 393.407 3.658 20 5 GHBDHM Cc1ccc(CC[C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236299 599064697 /nfs/dbraw/zinc/06/46/97/599064697.db2.gz SSNTZMPISRAIMD-NSHDSACASA-N -1 3 393.407 3.658 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000823629564 599076977 /nfs/dbraw/zinc/07/69/77/599076977.db2.gz ABDVAJNRIMBHTI-LLVKDONJSA-N -1 3 393.190 3.627 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000823629564 599076980 /nfs/dbraw/zinc/07/69/80/599076980.db2.gz ABDVAJNRIMBHTI-LLVKDONJSA-N -1 3 393.190 3.627 20 5 GHBDHM Cc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737424796 599262761 /nfs/dbraw/zinc/26/27/61/599262761.db2.gz XNCUOPLWQVQNHK-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737424796 599262765 /nfs/dbraw/zinc/26/27/65/599262765.db2.gz XNCUOPLWQVQNHK-GFCCVEGCSA-N -1 3 375.392 3.805 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737464514 598458577 /nfs/dbraw/zinc/45/85/77/598458577.db2.gz MXILUDRABAKADV-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM Cc1nc(-c2ccccc2)sc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737464514 598458578 /nfs/dbraw/zinc/45/85/78/598458578.db2.gz MXILUDRABAKADV-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736194199 598491886 /nfs/dbraw/zinc/49/18/86/598491886.db2.gz XOBJQQBFMICWRW-RYUDHWBXSA-N -1 3 399.432 3.560 20 5 GHBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736194199 598491887 /nfs/dbraw/zinc/49/18/87/598491887.db2.gz XOBJQQBFMICWRW-RYUDHWBXSA-N -1 3 399.432 3.560 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738367301 598646800 /nfs/dbraw/zinc/64/68/00/598646800.db2.gz PZQYLBRBRCONSO-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738367301 598646802 /nfs/dbraw/zinc/64/68/02/598646802.db2.gz PZQYLBRBRCONSO-UHFFFAOYSA-N -1 3 383.261 3.512 20 5 GHBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000735762289 598675316 /nfs/dbraw/zinc/67/53/16/598675316.db2.gz WXCDDVOLGLPZTE-CYBMUJFWSA-N -1 3 397.439 3.595 20 5 GHBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC000735762289 598675318 /nfs/dbraw/zinc/67/53/18/598675318.db2.gz WXCDDVOLGLPZTE-CYBMUJFWSA-N -1 3 397.439 3.595 20 5 GHBDHM Cc1ccc(CN(Cc2ccco2)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000737342234 598815167 /nfs/dbraw/zinc/81/51/67/598815167.db2.gz RIWMLWCOHFIRTI-UHFFFAOYSA-N -1 3 396.432 3.945 20 5 GHBDHM Cc1ccc(CN(Cc2ccco2)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000737342234 598815168 /nfs/dbraw/zinc/81/51/68/598815168.db2.gz RIWMLWCOHFIRTI-UHFFFAOYSA-N -1 3 396.432 3.945 20 5 GHBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000823644269 606599386 /nfs/dbraw/zinc/59/93/86/606599386.db2.gz IYKYATVVTFYRSN-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000823644269 606599387 /nfs/dbraw/zinc/59/93/87/606599387.db2.gz IYKYATVVTFYRSN-UHFFFAOYSA-N -1 3 379.348 3.669 20 5 GHBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)ccc1-c1nnn[n-]1 ZINC000823634449 606644327 /nfs/dbraw/zinc/64/43/27/606644327.db2.gz FTIHJZPCBYKQNH-CQSZACIVSA-N -1 3 393.432 3.726 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000822229164 606733363 /nfs/dbraw/zinc/73/33/63/606733363.db2.gz OCUWMQBIPQNRSO-LLVKDONJSA-N -1 3 393.382 3.944 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000822229164 606733364 /nfs/dbraw/zinc/73/33/64/606733364.db2.gz OCUWMQBIPQNRSO-LLVKDONJSA-N -1 3 393.382 3.944 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000823645950 606802562 /nfs/dbraw/zinc/80/25/62/606802562.db2.gz XKEUAUBSSOCOLQ-UHFFFAOYSA-N -1 3 378.304 3.629 20 5 GHBDHM O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000823645950 606802565 /nfs/dbraw/zinc/80/25/65/606802565.db2.gz XKEUAUBSSOCOLQ-UHFFFAOYSA-N -1 3 378.304 3.629 20 5 GHBDHM CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380473 607798468 /nfs/dbraw/zinc/79/84/68/607798468.db2.gz OTPQFHZYPQIRDM-UHFFFAOYSA-N -1 3 394.435 3.739 20 5 GHBDHM CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380473 607798469 /nfs/dbraw/zinc/79/84/69/607798469.db2.gz OTPQFHZYPQIRDM-UHFFFAOYSA-N -1 3 394.435 3.739 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(CSc3ccc(-c4nnn[n-]4)cc3Cl)nc2c1 ZINC000826499664 607845134 /nfs/dbraw/zinc/84/51/34/607845134.db2.gz RQCZNSWTBFJTJB-UHFFFAOYSA-N -1 3 388.796 3.862 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(CSc3ccc(-c4nn[n-]n4)cc3Cl)nc2c1 ZINC000826499664 607845135 /nfs/dbraw/zinc/84/51/35/607845135.db2.gz RQCZNSWTBFJTJB-UHFFFAOYSA-N -1 3 388.796 3.862 20 5 GHBDHM O=[N+]([O-])c1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1Cl ZINC000826497534 608466539 /nfs/dbraw/zinc/46/65/39/608466539.db2.gz KLIWDJAIYKPXFK-UHFFFAOYSA-N -1 3 396.838 3.718 20 5 GHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]cc1Br ZINC000412344206 838860096 /nfs/dbraw/zinc/86/00/96/838860096.db2.gz XKHDMMYPHMICND-UHFFFAOYSA-N -1 3 399.270 3.647 20 5 GHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1F ZINC001128553419 862054766 /nfs/dbraw/zinc/05/47/66/862054766.db2.gz JUUMCTZZBHBUBW-UHFFFAOYSA-N -1 3 394.330 3.699 20 5 GHBDHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439167557 853358354 /nfs/dbraw/zinc/35/83/54/853358354.db2.gz LLKIMXWJELOLNC-UHFFFAOYSA-N -1 3 386.751 3.788 20 5 GHBDHM O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000588750389 854377175 /nfs/dbraw/zinc/37/71/75/854377175.db2.gz XMEJZAXESHHUQB-UHFFFAOYSA-N -1 3 390.808 3.648 20 5 GHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000590597808 855504580 /nfs/dbraw/zinc/50/45/80/855504580.db2.gz YKAOWRSNBHRVJU-UHFFFAOYSA-N -1 3 377.205 3.716 20 5 GHBDHM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000484524579 860076057 /nfs/dbraw/zinc/07/60/57/860076057.db2.gz HOISTMZIINDGBU-UHFFFAOYSA-N -1 3 393.359 3.592 20 5 GHBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000445008647 867637531 /nfs/dbraw/zinc/63/75/31/867637531.db2.gz LESHAVFZGPRVQA-UHFFFAOYSA-N -1 3 379.347 3.704 20 5 GHBDHM COc1c(F)cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000445179112 867899429 /nfs/dbraw/zinc/89/94/29/867899429.db2.gz YJLSGQFSMAZSLU-UHFFFAOYSA-N -1 3 393.165 3.958 20 5 GHBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(C)cccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000026118059 868271047 /nfs/dbraw/zinc/27/10/47/868271047.db2.gz ZHZWLCJBTHMNRN-SNVBAGLBSA-N -1 3 387.417 3.736 20 5 GHBDHM O=C(Cc1c[nH]c2cc(Cl)ccc12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000524353075 868954917 /nfs/dbraw/zinc/95/49/17/868954917.db2.gz KHOBTIRMROSCLD-UHFFFAOYSA-N -1 3 395.806 3.723 20 5 GHBDHM COc1c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cccc1[N+](=O)[O-] ZINC000475635208 869080003 /nfs/dbraw/zinc/08/00/03/869080003.db2.gz AXLQTVINZNISPW-UHFFFAOYSA-N -1 3 376.438 3.830 20 5 GHBDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000445971462 869247416 /nfs/dbraw/zinc/24/74/16/869247416.db2.gz MTMOTXFNGFEGSW-AWEZNQCLSA-N -1 3 395.293 3.764 20 5 GHBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc2[nH]ncc21 ZINC000766329164 869499853 /nfs/dbraw/zinc/49/98/53/869499853.db2.gz KIQYFJKKVLKRJI-UHFFFAOYSA-N -1 3 380.813 3.542 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3NC)c2)n1 ZINC000462930221 870427274 /nfs/dbraw/zinc/42/72/74/870427274.db2.gz IBKORJAMXNKFPS-UHFFFAOYSA-N -1 3 393.403 3.614 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2ccc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)nc2)n1 ZINC000446980077 870802620 /nfs/dbraw/zinc/80/26/20/870802620.db2.gz PEZDKVVZHCUHPF-UHFFFAOYSA-N -1 3 391.431 3.884 20 5 GHBDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001195471577 872426660 /nfs/dbraw/zinc/42/66/60/872426660.db2.gz GFAQZLINGJUGQV-NSHDSACASA-N -1 3 392.408 3.871 20 5 GHBDHM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000770703551 874843536 /nfs/dbraw/zinc/84/35/36/874843536.db2.gz CSKRPETXDPXJKW-HNNXBMFYSA-N -1 3 388.399 3.712 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(I)cnc2Cl)c1 ZINC001199818498 875180438 /nfs/dbraw/zinc/18/04/38/875180438.db2.gz BTDKOUUVJOROAY-UHFFFAOYSA-N -1 3 391.552 3.697 20 5 GHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1I ZINC001201222431 875585316 /nfs/dbraw/zinc/58/53/16/875585316.db2.gz OTVDKIFOGZULAW-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(CF)CF)c([N+](=O)[O-])c2)c(C)c1 ZINC000450592272 876658744 /nfs/dbraw/zinc/65/87/44/876658744.db2.gz OVTNWOSYRJHVPG-UHFFFAOYSA-N -1 3 399.419 3.732 20 5 GHBDHM Cc1nn(Cc2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000531135046 879191860 /nfs/dbraw/zinc/19/18/60/879191860.db2.gz IKRQPLDBTSPSJA-UHFFFAOYSA-N -1 3 384.367 3.553 20 5 GHBDHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000617345413 879614318 /nfs/dbraw/zinc/61/43/18/879614318.db2.gz FWIUNORWNMRAEX-HNNXBMFYSA-N -1 3 379.210 3.581 20 5 GHBDHM COc1ccc([O-])c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000531831498 880573319 /nfs/dbraw/zinc/57/33/19/880573319.db2.gz MRCCVMXRGRQIIE-UHFFFAOYSA-N -1 3 386.282 3.502 20 5 GHBDHM CCCCc1nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000792555564 881189513 /nfs/dbraw/zinc/18/95/13/881189513.db2.gz MJSSLHRELHKRKM-UHFFFAOYSA-N -1 3 394.815 3.743 20 5 GHBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476175669 884202611 /nfs/dbraw/zinc/20/26/11/884202611.db2.gz VJBHTVGKBOZOQY-UHFFFAOYSA-N -1 3 379.294 3.913 20 5 GHBDHM O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303075554 885448918 /nfs/dbraw/zinc/44/89/18/885448918.db2.gz QYISBUGKAVUSHP-LBPRGKRZSA-N -1 3 396.428 3.677 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000303441046 885573796 /nfs/dbraw/zinc/57/37/96/885573796.db2.gz BYDFEPLAYJFQPC-UHFFFAOYSA-N -1 3 389.202 3.606 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1C ZINC000811832249 890017743 /nfs/dbraw/zinc/01/77/43/890017743.db2.gz NSGAOGQIQVACID-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154189750 890257661 /nfs/dbraw/zinc/25/76/61/890257661.db2.gz WVEDLXDWFXSUHB-UHFFFAOYSA-N -1 3 384.117 3.657 20 5 GHBDHM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916876459 890318767 /nfs/dbraw/zinc/31/87/67/890318767.db2.gz GKHGHHGCNXVFAH-UHFFFAOYSA-N -1 3 393.355 3.668 20 5 GHBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CCCC2)n1 ZINC000497396733 891528758 /nfs/dbraw/zinc/52/87/58/891528758.db2.gz XHRGBPAWFCJEJI-UHFFFAOYSA-N -1 3 395.506 3.724 20 5 GHBDHM COc1ccccc1[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCCCC1 ZINC000564088236 894572837 /nfs/dbraw/zinc/57/28/37/894572837.db2.gz MVNZQUSZGBWTTG-LJQANCHMSA-N -1 3 399.447 3.941 20 5 GHBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569228620 898446584 /nfs/dbraw/zinc/44/65/84/898446584.db2.gz CXMTVPKJQVWKSO-SFHVURJKSA-N -1 3 394.349 3.842 20 5 GHBDHM C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000600798359 902931970 /nfs/dbraw/zinc/93/19/70/902931970.db2.gz ALNBZKCGHNBLCF-CRAIPNDOSA-N -1 3 383.448 3.905 20 5 GHBDHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(/C=C/[N+](=O)[O-])cc2)cc1Cl ZINC001175902736 907820147 /nfs/dbraw/zinc/82/01/47/907820147.db2.gz HFOWWDINRCPJFB-AATRIKPKSA-N -1 3 388.232 3.624 20 5 GHBDHM COc1cc(CNc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000193265000 908862278 /nfs/dbraw/zinc/86/22/78/908862278.db2.gz IYUJZBVLIMSXQZ-UHFFFAOYSA-N -1 3 387.436 3.710 20 5 GHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccc(F)cc1F ZINC001187131148 915045887 /nfs/dbraw/zinc/04/58/87/915045887.db2.gz ZOFSWUHICFDLRU-CQSZACIVSA-N -1 3 388.367 3.750 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c(F)c1 ZINC000409870604 925082269 /nfs/dbraw/zinc/08/22/69/925082269.db2.gz VLAXTGWOOXIPCN-INIZCTEOSA-N -1 3 384.816 3.817 20 5 GHBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000467774982 929397994 /nfs/dbraw/zinc/39/79/94/929397994.db2.gz YTQJQWGBONBRLA-CQSZACIVSA-N -1 3 376.406 3.610 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c2ccncc21 ZINC000757886773 929840237 /nfs/dbraw/zinc/84/02/37/929840237.db2.gz PSOOMEYCGAPTQF-UHFFFAOYSA-N -1 3 398.850 3.824 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000758111816 929926031 /nfs/dbraw/zinc/92/60/31/929926031.db2.gz CPRWRTWOEWJQEH-QMMMGPOBSA-N -1 3 391.380 3.979 20 5 GHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCc1ccc(F)cc1Br ZINC000781123467 930707683 /nfs/dbraw/zinc/70/76/83/930707683.db2.gz WWODAEQBJKBFHB-UHFFFAOYSA-N -1 3 397.200 3.677 20 5 GHBDHM CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559149903 932464930 /nfs/dbraw/zinc/46/49/30/932464930.db2.gz OEQRSYMMHUDWLA-UHFFFAOYSA-N -1 3 385.342 3.661 20 5 GHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c(Cl)c1 ZINC000560062845 933044437 /nfs/dbraw/zinc/04/44/37/933044437.db2.gz JWCBYDWMDXDNFC-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001573881859 950758971 /nfs/dbraw/zinc/75/89/71/950758971.db2.gz JHXSSSWZLLATKK-UHFFFAOYSA-N -1 3 388.815 3.700 20 5 GHBDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001573881859 950758985 /nfs/dbraw/zinc/75/89/85/950758985.db2.gz JHXSSSWZLLATKK-UHFFFAOYSA-N -1 3 388.815 3.700 20 5 GHBDHM COc1c(Br)cccc1[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689654 1033047556 /nfs/dbraw/zinc/04/75/56/1033047556.db2.gz VFYXICREIFOPTR-VIFPVBQESA-N -1 3 383.198 3.915 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001211274196 1027880214 /nfs/dbraw/zinc/88/02/14/1027880214.db2.gz XMCMSGRPAFCSNY-ZMZPIMSZSA-N -1 3 378.425 3.644 20 5 GHBDHM COc1cccc2nc(=O)[n-]c(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)c21 ZINC001229243992 1033365140 /nfs/dbraw/zinc/36/51/40/1033365140.db2.gz YILVNDGZZIJEPV-AWEZNQCLSA-N -1 3 395.293 3.935 20 5 GHBDHM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)ccc12 ZINC001229514515 1033532661 /nfs/dbraw/zinc/53/26/61/1033532661.db2.gz JJZYWXAQPUKQHA-WOVMCDHWSA-N -1 3 395.455 3.674 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccc2)nc1 ZINC001208421346 1034890040 /nfs/dbraw/zinc/89/00/40/1034890040.db2.gz DAJGGQFHAZZFIM-LJQANCHMSA-N -1 3 397.456 3.642 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001247999774 1038532291 /nfs/dbraw/zinc/53/22/91/1038532291.db2.gz NRNFXLACINWTNN-UHFFFAOYSA-N -1 3 394.265 3.796 20 5 GHBDHM O=C([N-]c1c2c(ccc1F)OCO2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001462340671 1070184844 /nfs/dbraw/zinc/18/48/44/1070184844.db2.gz NCFCFSDCEMSXED-UHFFFAOYSA-N -1 3 381.319 3.777 20 5 GHBDHM Cc1ccnc(N2CCC(Oc3nc4cc(Cl)c([N+](=O)[O-])cc4[n-]3)CC2)c1 ZINC001233505577 1039395477 /nfs/dbraw/zinc/39/54/77/1039395477.db2.gz AOZWEAWSPHEITM-UHFFFAOYSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1ccnc(N2CCC(Oc3nc4cc([N+](=O)[O-])c(Cl)cc4[n-]3)CC2)c1 ZINC001233505577 1039395486 /nfs/dbraw/zinc/39/54/86/1039395486.db2.gz AOZWEAWSPHEITM-UHFFFAOYSA-N -1 3 387.827 3.876 20 5 GHBDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293644 1043959302 /nfs/dbraw/zinc/95/93/02/1043959302.db2.gz CVSUHLKZMGIQJA-ZJUUUORDSA-N -1 3 379.298 3.966 20 5 GHBDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001257293644 1043959306 /nfs/dbraw/zinc/95/93/06/1043959306.db2.gz CVSUHLKZMGIQJA-ZJUUUORDSA-N -1 3 379.298 3.966 20 5 GHBDHM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306836232 1048920890 /nfs/dbraw/zinc/92/08/90/1048920890.db2.gz VLMFQEANBAAOER-UHFFFAOYSA-N -1 3 376.781 3.725 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])s1 ZINC001308993283 1050253270 /nfs/dbraw/zinc/25/32/70/1050253270.db2.gz PCQXJQIYAWJGPM-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(C(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001309028162 1050285159 /nfs/dbraw/zinc/28/51/59/1050285159.db2.gz QYEAASSHOWVYBO-UHFFFAOYSA-N -1 3 380.441 3.687 20 5 GHBDHM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001309444217 1050724620 /nfs/dbraw/zinc/72/46/20/1050724620.db2.gz CCDDHMDZFYUCOT-NSHDSACASA-N -1 3 384.454 3.804 20 5 GHBDHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309560708 1050814568 /nfs/dbraw/zinc/81/45/68/1050814568.db2.gz IWARRCFORSPPKJ-QMTHXVAHSA-N -1 3 391.287 3.604 20 5 GHBDHM Cc1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC001440411955 1058513662 /nfs/dbraw/zinc/51/36/62/1058513662.db2.gz TVHBIAKVQFPLMN-UHFFFAOYSA-N -1 3 378.410 3.959 20 5 GHBDHM Cc1cncc([N+](=O)[O-])c1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001346071717 1061338112 /nfs/dbraw/zinc/33/81/12/1061338112.db2.gz XMTNRQPEWJJAAI-UHFFFAOYSA-N -1 3 390.827 3.512 20 5 GHBDHM CN(C)c1cc(F)c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC001350568961 1064127309 /nfs/dbraw/zinc/12/73/09/1064127309.db2.gz GDCFYTUPSQDFSD-UHFFFAOYSA-N -1 3 387.396 3.571 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)c([N+](=O)[O-])s1 ZINC001464187179 1064897497 /nfs/dbraw/zinc/89/74/97/1064897497.db2.gz WNPKRNUZJBQAKF-CYBMUJFWSA-N -1 3 386.882 3.974 20 5 GHBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(Br)ccc1[O-] ZINC001466632184 1066223496 /nfs/dbraw/zinc/22/34/96/1066223496.db2.gz HGUUDWBDPBTJKZ-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001475052399 1074711345 /nfs/dbraw/zinc/71/13/45/1074711345.db2.gz MBXMLWWJLRMWFQ-LLVKDONJSA-N -1 3 393.303 3.995 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC001475057515 1074714549 /nfs/dbraw/zinc/71/45/49/1074714549.db2.gz UJFJDGBKHMPXKH-QWRGUYRKSA-N -1 3 398.378 3.689 20 5 GHBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCC1 ZINC001475378835 1074854470 /nfs/dbraw/zinc/85/44/70/1074854470.db2.gz DAFVUGJKEIBGDB-ZDUSSCGKSA-N -1 3 380.388 3.861 20 5 GHBDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC001475419895 1074868347 /nfs/dbraw/zinc/86/83/47/1074868347.db2.gz BFNHSDQIWYDPHL-SECBINFHSA-N -1 3 389.886 3.615 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1cccc(Br)c1 ZINC000738361285 598551913 /nfs/dbraw/zinc/55/19/13/598551913.db2.gz XHHBFWABBSJFGD-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1cccc(Br)c1 ZINC000738361285 598551914 /nfs/dbraw/zinc/55/19/14/598551914.db2.gz XHHBFWABBSJFGD-UHFFFAOYSA-N -1 3 378.211 3.689 20 5 GHBDHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820825915 606442702 /nfs/dbraw/zinc/44/27/02/606442702.db2.gz HDARXYLLJRTGHC-SNVBAGLBSA-N -1 3 393.432 3.508 20 5 GHBDHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820825915 606442703 /nfs/dbraw/zinc/44/27/03/606442703.db2.gz HDARXYLLJRTGHC-SNVBAGLBSA-N -1 3 393.432 3.508 20 5 GHBDHM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000820589725 607041888 /nfs/dbraw/zinc/04/18/88/607041888.db2.gz LSYNGXFPRZJSOJ-HNNXBMFYSA-N -1 3 384.371 3.628 20 5 GHBDHM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820589725 607041889 /nfs/dbraw/zinc/04/18/89/607041889.db2.gz LSYNGXFPRZJSOJ-HNNXBMFYSA-N -1 3 384.371 3.628 20 5 GHBDHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825553792 607784102 /nfs/dbraw/zinc/78/41/02/607784102.db2.gz WRGYCKDHNOBBCC-NSHDSACASA-N -1 3 397.395 3.516 20 5 GHBDHM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825553792 607784103 /nfs/dbraw/zinc/78/41/03/607784103.db2.gz WRGYCKDHNOBBCC-NSHDSACASA-N -1 3 397.395 3.516 20 5 GHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1occc1Br ZINC000176718950 837723226 /nfs/dbraw/zinc/72/32/26/837723226.db2.gz OTYMIJBGKGCPFC-UHFFFAOYSA-N -1 3 377.097 3.804 20 5 GHBDHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023345856 834348169 /nfs/dbraw/zinc/34/81/69/834348169.db2.gz YPSMQGOCNVNGBT-QMMMGPOBSA-N -1 3 393.808 3.975 20 5 GHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180291788 836982259 /nfs/dbraw/zinc/98/22/59/836982259.db2.gz CAVTWIYAKNSQNG-UHFFFAOYSA-N -1 3 376.221 3.660 20 5 GHBDHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000584453907 839366050 /nfs/dbraw/zinc/36/60/50/839366050.db2.gz GYWHQQOEEOURPT-UHFFFAOYSA-N -1 3 379.210 3.979 20 5 GHBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000046757924 840242620 /nfs/dbraw/zinc/24/26/20/840242620.db2.gz INZUWSJIPOSMSP-UHFFFAOYSA-N -1 3 383.414 3.975 20 5 GHBDHM CCOC[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417657551 841109851 /nfs/dbraw/zinc/10/98/51/841109851.db2.gz MEUYNIPJIYFIPR-CQSZACIVSA-N -1 3 394.811 3.620 20 5 GHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2ccoc2)n1 ZINC000108154392 841544595 /nfs/dbraw/zinc/54/45/95/841544595.db2.gz ATHOVKZLXKRZJN-UHFFFAOYSA-N -1 3 387.373 3.725 20 5 GHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432342867 842108199 /nfs/dbraw/zinc/10/81/99/842108199.db2.gz OTFDUTXSSZSRHV-UHFFFAOYSA-N -1 3 383.429 3.641 20 5 GHBDHM O=C1[N-]C(=O)C(=CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000016720406 847549298 /nfs/dbraw/zinc/54/92/98/847549298.db2.gz GFWVPLDTUBEVGW-YRNVUSSQSA-N -1 3 378.171 3.625 20 5 GHBDHM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000135640053 848242023 /nfs/dbraw/zinc/24/20/23/848242023.db2.gz UZGMQCRKCDPJPV-UHFFFAOYSA-N -1 3 377.205 3.711 20 5 GHBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000029969945 862176283 /nfs/dbraw/zinc/17/62/83/862176283.db2.gz ZBDHFLWKQCPFNR-KRWDZBQOSA-N -1 3 398.868 3.932 20 5 GHBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000473639868 851337693 /nfs/dbraw/zinc/33/76/93/851337693.db2.gz JPZPGJMCNIHCNV-UHFFFAOYSA-N -1 3 381.413 3.777 20 5 GHBDHM O=C([O-])[C@@H](CC1CCCC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426728026 852347344 /nfs/dbraw/zinc/34/73/44/852347344.db2.gz SGNRUQMEGSSHPW-MRXNPFEDSA-N -1 3 375.450 3.841 20 5 GHBDHM O=C([O-])C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000426826827 852440271 /nfs/dbraw/zinc/44/02/71/852440271.db2.gz PVYXJHDWLZHYGB-HNNXBMFYSA-N -1 3 379.210 3.663 20 5 GHBDHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000426829181 852442091 /nfs/dbraw/zinc/44/20/91/852442091.db2.gz NVRATVRPPVVDMI-OAHLLOKOSA-N -1 3 393.237 3.971 20 5 GHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000436943255 852524408 /nfs/dbraw/zinc/52/44/08/852524408.db2.gz LIDPJUSZRZBFNY-UHFFFAOYSA-N -1 3 375.812 3.671 20 5 GHBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000163368007 862386499 /nfs/dbraw/zinc/38/64/99/862386499.db2.gz IDVUDVHJQBLMGZ-MWLCHTKSSA-N -1 3 398.428 3.566 20 5 GHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437658675 853387717 /nfs/dbraw/zinc/38/77/17/853387717.db2.gz GPLLUYMPLKGMFD-UHFFFAOYSA-N -1 3 397.659 3.873 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c2)n1 ZINC000046065077 856465291 /nfs/dbraw/zinc/46/52/91/856465291.db2.gz YEQRKZHLGHNOEP-UHFFFAOYSA-N -1 3 384.417 3.530 20 5 GHBDHM O=C([O-])C1(CCCCNCc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000905809099 856609918 /nfs/dbraw/zinc/60/99/18/856609918.db2.gz YNPNHMKPCMNDBW-UHFFFAOYSA-N -1 3 391.287 3.934 20 5 GHBDHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000508268607 857143181 /nfs/dbraw/zinc/14/31/81/857143181.db2.gz ZKONWAWCBSUSLM-CYBMUJFWSA-N -1 3 398.868 3.694 20 5 GHBDHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000442224848 857616830 /nfs/dbraw/zinc/61/68/30/857616830.db2.gz RQRBXHJQDDHXQA-UHFFFAOYSA-N -1 3 383.838 3.967 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1C ZINC000442244847 857650691 /nfs/dbraw/zinc/65/06/91/857650691.db2.gz PZRWVMIAZJVVNT-UHFFFAOYSA-N -1 3 376.768 3.944 20 5 GHBDHM COc1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)cc1[N+](=O)[O-] ZINC000066413241 858112233 /nfs/dbraw/zinc/11/22/33/858112233.db2.gz MSMOWSTYKLPYBE-UHFFFAOYSA-N -1 3 376.419 3.744 20 5 GHBDHM CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183554 858799478 /nfs/dbraw/zinc/79/94/78/858799478.db2.gz GFNUCMDEBHUWON-OTYXRUKQSA-N -1 3 382.214 3.646 20 5 GHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2ccccc2)c2ccccn2)s1 ZINC000301933351 859166807 /nfs/dbraw/zinc/16/68/07/859166807.db2.gz QBGPHEWXXJVHEY-INIZCTEOSA-N -1 3 389.458 3.656 20 5 GHBDHM COc1cc(CNc2ncc(Cc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1[O-] ZINC000543681005 859414505 /nfs/dbraw/zinc/41/45/05/859414505.db2.gz UVAABLVCEKKFOT-UHFFFAOYSA-N -1 3 389.408 3.529 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1[O-] ZINC000117755320 859610635 /nfs/dbraw/zinc/61/06/35/859610635.db2.gz QGUHXGVYQSUTQB-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM O=C([N-]c1cc(Cl)ccc1C(=O)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])o1 ZINC000598454056 860319149 /nfs/dbraw/zinc/31/91/49/860319149.db2.gz UIKOMVMCLGBZAL-JTQLQIEISA-N -1 3 378.768 3.703 20 5 GHBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603458084 860723767 /nfs/dbraw/zinc/72/37/67/860723767.db2.gz WMCNBHAKLWZROX-UHFFFAOYSA-N -1 3 390.359 3.969 20 5 GHBDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)on1 ZINC000481340933 861120114 /nfs/dbraw/zinc/12/01/14/861120114.db2.gz OPPCDPRALRVRGA-UHFFFAOYSA-N -1 3 381.454 3.582 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c(F)c1 ZINC000519892337 866303582 /nfs/dbraw/zinc/30/35/82/866303582.db2.gz YKVRTCPGQCUHJX-UHFFFAOYSA-N -1 3 379.196 3.519 20 5 GHBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2CCCCC2)c1 ZINC000742274142 867163252 /nfs/dbraw/zinc/16/32/52/867163252.db2.gz DNIMPUDJRSULJS-UHFFFAOYSA-N -1 3 391.287 3.606 20 5 GHBDHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n1 ZINC000444770715 867206982 /nfs/dbraw/zinc/20/69/82/867206982.db2.gz MLJDTADGCNVTHE-UHFFFAOYSA-N -1 3 381.338 3.621 20 5 GHBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770502016 874708766 /nfs/dbraw/zinc/70/87/66/874708766.db2.gz FXOQSXUITDLIFR-UHFFFAOYSA-N -1 3 396.315 3.648 20 5 GHBDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000775930402 874799283 /nfs/dbraw/zinc/79/92/83/874799283.db2.gz QRQUUMMOVTXQTB-SECBINFHSA-N -1 3 389.751 3.922 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1[N+](=O)[O-] ZINC000491608747 875845119 /nfs/dbraw/zinc/84/51/19/875845119.db2.gz AUSGAGBUVASWBK-UHFFFAOYSA-N -1 3 382.413 3.939 20 5 GHBDHM Cc1csc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2F)n1 ZINC000551923549 878027029 /nfs/dbraw/zinc/02/70/29/878027029.db2.gz WWZQKPNUICNBOF-UHFFFAOYSA-N -1 3 390.352 3.644 20 5 GHBDHM COc1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)ccc1[N+](=O)[O-] ZINC000154880585 884772907 /nfs/dbraw/zinc/77/29/07/884772907.db2.gz AQNDTEPXZSLJJU-UHFFFAOYSA-N -1 3 384.417 3.991 20 5 GHBDHM CCN(CC)c1ccc2nc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])sc2c1 ZINC000809333277 887335181 /nfs/dbraw/zinc/33/51/81/887335181.db2.gz XXZRZENXJBOJJB-UHFFFAOYSA-N -1 3 388.453 3.519 20 5 GHBDHM O=C([N-]c1nc(-c2ccccn2)nc2sccc21)c1ccc([N+](=O)[O-])s1 ZINC001131763849 887569062 /nfs/dbraw/zinc/56/90/62/887569062.db2.gz VMNJKIXWHJLTCZ-UHFFFAOYSA-N -1 3 383.414 3.975 20 5 GHBDHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000810569490 888630040 /nfs/dbraw/zinc/63/00/40/888630040.db2.gz KYHNQGAMIMMTLM-UHFFFAOYSA-N -1 3 379.781 3.587 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831934 890017811 /nfs/dbraw/zinc/01/78/11/890017811.db2.gz JFTVSHOHKYHEJI-UHFFFAOYSA-N -1 3 385.785 3.574 20 5 GHBDHM O=C([N-][C@@H]1CCCOc2c(F)cccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778212053 893348496 /nfs/dbraw/zinc/34/84/96/893348496.db2.gz SGPVERXBJXGJAD-OAHLLOKOSA-N -1 3 380.322 3.856 20 5 GHBDHM Cc1cc(Cl)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000815405946 893814915 /nfs/dbraw/zinc/81/49/15/893814915.db2.gz OVNSRLOBPBKBPI-UHFFFAOYSA-N -1 3 389.751 3.669 20 5 GHBDHM COc1cc(CSc2cccc(Cl)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180124 895812993 /nfs/dbraw/zinc/81/29/93/895812993.db2.gz SSASJIJULPNEFE-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM COc1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180124 895812998 /nfs/dbraw/zinc/81/29/98/895812998.db2.gz SSASJIJULPNEFE-UHFFFAOYSA-N -1 3 377.813 3.729 20 5 GHBDHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001136613617 898553471 /nfs/dbraw/zinc/55/34/71/898553471.db2.gz YQXKWBKQVMVALI-UHFFFAOYSA-N -1 3 395.419 3.739 20 5 GHBDHM CCCCC[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825268218 900060899 /nfs/dbraw/zinc/06/08/99/900060899.db2.gz SDVPPMFRSFAAAL-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCC[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825268218 900060915 /nfs/dbraw/zinc/06/09/15/900060915.db2.gz SDVPPMFRSFAAAL-JTQLQIEISA-N -1 3 380.836 3.973 20 5 GHBDHM CCCn1c(C)cc(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)c1C ZINC000271346994 910870752 /nfs/dbraw/zinc/87/07/52/910870752.db2.gz DHLOLIBHFDRLJN-UHFFFAOYSA-N -1 3 388.453 3.532 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(OCc3ccccc3)c2)no1 ZINC001212935624 911769138 /nfs/dbraw/zinc/76/91/38/911769138.db2.gz DFKBGTKSOYQUGN-UHFFFAOYSA-N -1 3 390.355 3.991 20 5 GHBDHM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc(C)c1Br ZINC001212935622 911769453 /nfs/dbraw/zinc/76/94/53/911769453.db2.gz DBTPXKRNCUSLPN-UHFFFAOYSA-N -1 3 391.181 3.792 20 5 GHBDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001188498531 916014941 /nfs/dbraw/zinc/01/49/41/916014941.db2.gz OQBCYPSRANLOMI-UHFFFAOYSA-N -1 3 398.868 3.513 20 5 GHBDHM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1c(C)cccc1[O-] ZINC001188654875 916080343 /nfs/dbraw/zinc/08/03/43/916080343.db2.gz INKPWYMRTYFNPO-UHFFFAOYSA-N -1 3 387.439 3.957 20 5 GHBDHM O=C1CCCc2ccc(-c3noc(-c4[n-]nc(C(F)(F)F)c4[N+](=O)[O-])n3)cc21 ZINC001212972934 916164714 /nfs/dbraw/zinc/16/47/14/916164714.db2.gz MTQFGGMWRDTJRB-UHFFFAOYSA-N -1 3 393.281 3.573 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(c2ccccc2)CCCC1 ZINC001189333842 916562633 /nfs/dbraw/zinc/56/26/33/916562633.db2.gz WYXAJJKVJMKPBG-AWEZNQCLSA-N -1 3 392.452 3.913 20 5 GHBDHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)ns2)cc([N+](=O)[O-])c1 ZINC000469562389 929992277 /nfs/dbraw/zinc/99/22/77/929992277.db2.gz QIQCIPJQJZYTLL-UHFFFAOYSA-N -1 3 383.385 3.757 20 5 GHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000782261285 931145697 /nfs/dbraw/zinc/14/56/97/931145697.db2.gz LWAQIWXEUVLOQU-MDZDMXLPSA-N -1 3 383.223 3.770 20 5 GHBDHM CC(C)(C)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC001573882066 950768497 /nfs/dbraw/zinc/76/84/97/950768497.db2.gz QIFKJWFRZSKCES-UHFFFAOYSA-N -1 3 378.436 3.635 20 5 GHBDHM CC(C)(C)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC001573882066 950768505 /nfs/dbraw/zinc/76/85/05/950768505.db2.gz QIFKJWFRZSKCES-UHFFFAOYSA-N -1 3 378.436 3.635 20 5 GHBDHM CC(C)(C)c1coc(Sc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC001573884128 950785446 /nfs/dbraw/zinc/78/54/46/950785446.db2.gz JLLCZDIZCDDOHP-UHFFFAOYSA-N -1 3 397.420 3.760 20 5 GHBDHM CC(C)(C)c1coc(Sc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC001573884128 950785465 /nfs/dbraw/zinc/78/54/65/950785465.db2.gz JLLCZDIZCDDOHP-UHFFFAOYSA-N -1 3 397.420 3.760 20 5 GHBDHM CC1(C)CC(C)(C)c2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC001575632063 950786877 /nfs/dbraw/zinc/78/68/77/950786877.db2.gz YTYPHHUOJSTVSS-UHFFFAOYSA-N -1 3 379.424 3.872 20 5 GHBDHM CC1(C)CC(C)(C)c2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC001575632063 950786889 /nfs/dbraw/zinc/78/68/89/950786889.db2.gz YTYPHHUOJSTVSS-UHFFFAOYSA-N -1 3 379.424 3.872 20 5 GHBDHM C[C@H](COc1ccc(C(C)(C)C)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575180035 952414524 /nfs/dbraw/zinc/41/45/24/952414524.db2.gz XBNWLUJKURPHFA-CYBMUJFWSA-N -1 3 396.451 3.952 20 5 GHBDHM C[C@H](COc1ccc(C(C)(C)C)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575180035 952414529 /nfs/dbraw/zinc/41/45/29/952414529.db2.gz XBNWLUJKURPHFA-CYBMUJFWSA-N -1 3 396.451 3.952 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1c1ccccc1 ZINC001606432597 973875245 /nfs/dbraw/zinc/87/52/45/973875245.db2.gz JVQBXFXESZJSJS-RBUKOAKNSA-N -1 3 393.399 3.550 20 5 GHBDHM C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594388120 999468893 /nfs/dbraw/zinc/46/88/93/999468893.db2.gz IAOYJMLHFYLRJC-SPLOXXLWSA-N -1 3 384.432 3.862 20 5 GHBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227740902 1032538393 /nfs/dbraw/zinc/53/83/93/1032538393.db2.gz CIVAQDZSLITALA-LRDDRELGSA-N -1 3 390.440 3.886 20 5 GHBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227740902 1032538398 /nfs/dbraw/zinc/53/83/98/1032538398.db2.gz CIVAQDZSLITALA-LRDDRELGSA-N -1 3 390.440 3.886 20 5 GHBDHM COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCCCC1 ZINC000565293201 1019176179 /nfs/dbraw/zinc/17/61/79/1019176179.db2.gz XDBKWULEKMWSQZ-IBGZPJMESA-N -1 3 399.447 3.941 20 5 GHBDHM Cc1cc2[n-]c(OC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1[N+](=O)[O-] ZINC001228674691 1033036974 /nfs/dbraw/zinc/03/69/74/1033036974.db2.gz LIZZOKSEZCNFIM-UHFFFAOYSA-N -1 3 397.391 3.736 20 5 GHBDHM CCN(CC)C(=O)[C@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001228673341 1033037024 /nfs/dbraw/zinc/03/70/24/1033037024.db2.gz GIXXCKBVRGZOHT-GOSISDBHSA-N -1 3 382.420 3.768 20 5 GHBDHM CCN(CC)C(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228673341 1033037051 /nfs/dbraw/zinc/03/70/51/1033037051.db2.gz GIXXCKBVRGZOHT-GOSISDBHSA-N -1 3 382.420 3.768 20 5 GHBDHM CCOC(=O)[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)c2ccccc2O1 ZINC001228676383 1033038847 /nfs/dbraw/zinc/03/88/47/1033038847.db2.gz DQXSIHQFEATKQY-QZTJIDSGSA-N -1 3 397.387 3.614 20 5 GHBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC001209900913 1027269131 /nfs/dbraw/zinc/26/91/31/1027269131.db2.gz SAAPFXLWZIQJNM-UWVGGRQHSA-N -1 3 380.388 3.717 20 5 GHBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001461897038 1069851715 /nfs/dbraw/zinc/85/17/15/1069851715.db2.gz YJPXCJMSYNVNDH-INIZCTEOSA-N -1 3 378.812 3.536 20 5 GHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001247998476 1038530860 /nfs/dbraw/zinc/53/08/60/1038530860.db2.gz DYCFJNNLJBDPOE-UHFFFAOYSA-N -1 3 378.266 3.916 20 5 GHBDHM COc1cc(=O)c2c([O-])c3cc(OC)c(OC4CCCC4)c(OC)c3oc-2c1 ZINC001234757325 1040286011 /nfs/dbraw/zinc/28/60/11/1040286011.db2.gz JGSLQWUYCRRQLM-UHFFFAOYSA-N -1 3 386.400 3.999 20 5 GHBDHM COc1cc([O-])c2c(c1)oc1c(cc(OC)c(OC3CCCC3)c1OC)c2=O ZINC001234757325 1040286033 /nfs/dbraw/zinc/28/60/33/1040286033.db2.gz JGSLQWUYCRRQLM-UHFFFAOYSA-N -1 3 386.400 3.999 20 5 GHBDHM O=S(=O)(CCc1cccc(F)c1)[N-]c1cc2cccnc2c2ncccc12 ZINC001259772998 1045297100 /nfs/dbraw/zinc/29/71/00/1045297100.db2.gz BCGDYDVDPBQDBQ-UHFFFAOYSA-N -1 3 381.432 3.907 20 5 GHBDHM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463235884 1070930606 /nfs/dbraw/zinc/93/06/06/1070930606.db2.gz XHYOYWXJEUNDMP-BTDLBPIBSA-N -1 3 398.843 3.989 20 5 GHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC001288565804 1049141980 /nfs/dbraw/zinc/14/19/80/1049141980.db2.gz NCGRPOQLMBFPTP-UHFFFAOYSA-N -1 3 382.467 3.561 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])s1 ZINC001309032927 1050289249 /nfs/dbraw/zinc/28/92/49/1050289249.db2.gz BFALRYYYKPRQSQ-SECBINFHSA-N -1 3 392.405 3.606 20 5 GHBDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309128609 1050386654 /nfs/dbraw/zinc/38/66/54/1050386654.db2.gz UGUFEFNMUCYHQI-WDEREUQCSA-N -1 3 380.388 3.718 20 5 GHBDHM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001309151185 1050404909 /nfs/dbraw/zinc/40/49/09/1050404909.db2.gz LGCMMIAHURZONG-OAHLLOKOSA-N -1 3 382.869 3.938 20 5 GHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1 ZINC001463509849 1064419835 /nfs/dbraw/zinc/41/98/35/1064419835.db2.gz BVNXJCAXPLHJRC-UHFFFAOYSA-N -1 3 380.853 3.994 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C(C)C)cc2)c([N+](=O)[O-])s1 ZINC001463674190 1064543139 /nfs/dbraw/zinc/54/31/39/1064543139.db2.gz OYNPCUHZHKMYPG-LBPRGKRZSA-N -1 3 398.506 3.834 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c(Cl)c1 ZINC001464180212 1064891267 /nfs/dbraw/zinc/89/12/67/1064891267.db2.gz OYCIQOPDZTWJMN-CQSZACIVSA-N -1 3 387.244 3.867 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326109 1068104564 /nfs/dbraw/zinc/10/45/64/1068104564.db2.gz AVTFTXSEEFECOR-UHFFFAOYSA-N -1 3 392.437 3.638 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326109 1068104568 /nfs/dbraw/zinc/10/45/68/1068104568.db2.gz AVTFTXSEEFECOR-UHFFFAOYSA-N -1 3 392.437 3.638 20 5 GHBDHM COc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Br ZINC001473994932 1074229197 /nfs/dbraw/zinc/22/91/97/1074229197.db2.gz CJXIPEGQIJKUPE-UHFFFAOYSA-N -1 3 383.198 3.692 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(Cc2ccccc2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001475398605 1074861110 /nfs/dbraw/zinc/86/11/10/1074861110.db2.gz CZRAYRQLENZULH-IBGZPJMESA-N -1 3 392.452 3.732 20 5 GHBDHM Cc1ccnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1[N+](=O)[O-] ZINC000737437290 598854236 /nfs/dbraw/zinc/85/42/36/598854236.db2.gz NPHIQGWCBULQPC-UHFFFAOYSA-N -1 3 393.432 3.819 20 5 GHBDHM COc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737141190 599255591 /nfs/dbraw/zinc/25/55/91/599255591.db2.gz HVFJHNLUPCWJDR-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM COc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737141190 599255593 /nfs/dbraw/zinc/25/55/93/599255593.db2.gz HVFJHNLUPCWJDR-NSHDSACASA-N -1 3 391.391 3.505 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000736134333 599271411 /nfs/dbraw/zinc/27/14/11/599271411.db2.gz BRISSFHASMEQGE-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000736134333 599271413 /nfs/dbraw/zinc/27/14/13/599271413.db2.gz BRISSFHASMEQGE-SECBINFHSA-N -1 3 389.213 3.711 20 5 GHBDHM Cc1csc(-c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1 ZINC000737447511 598248823 /nfs/dbraw/zinc/24/88/23/598248823.db2.gz DKJNMYVXAZBOAD-UHFFFAOYSA-N -1 3 379.405 3.950 20 5 GHBDHM Cc1csc(-c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737447511 598248825 /nfs/dbraw/zinc/24/88/25/598248825.db2.gz DKJNMYVXAZBOAD-UHFFFAOYSA-N -1 3 379.405 3.950 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235275 598814380 /nfs/dbraw/zinc/81/43/80/598814380.db2.gz FOQAAYFINUYFEI-ABAIWWIYSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)o1 ZINC000736235275 598814382 /nfs/dbraw/zinc/81/43/82/598814382.db2.gz FOQAAYFINUYFEI-ABAIWWIYSA-N -1 3 380.408 3.660 20 5 GHBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1F ZINC000820451621 599484547 /nfs/dbraw/zinc/48/45/47/599484547.db2.gz WKEHUTXVDUMVSW-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1F ZINC000820451621 599484548 /nfs/dbraw/zinc/48/45/48/599484548.db2.gz WKEHUTXVDUMVSW-VIFPVBQESA-N -1 3 397.345 3.774 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CC=CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645119 599558450 /nfs/dbraw/zinc/55/84/50/599558450.db2.gz OHFPPZAJDKMVSY-HXUWFJFHSA-N -1 3 391.435 3.650 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CC=CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645119 599558453 /nfs/dbraw/zinc/55/84/53/599558453.db2.gz OHFPPZAJDKMVSY-HXUWFJFHSA-N -1 3 391.435 3.650 20 5 GHBDHM O=C([O-])/C=C\c1ccc(Nc2cccc(CN3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000739625436 599711468 /nfs/dbraw/zinc/71/14/68/599711468.db2.gz PTIPHPJHHAPFCM-ALCCZGGFSA-N -1 3 399.472 3.985 20 5 GHBDHM O=C([O-])NC[C@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000832512326 603172642 /nfs/dbraw/zinc/17/26/42/603172642.db2.gz CYFLHVRKGZFYMW-CJNGLKHVSA-N -1 3 390.465 3.634 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228907 606427941 /nfs/dbraw/zinc/42/79/41/606427941.db2.gz IPAPYTWDTBEOSH-SECBINFHSA-N -1 3 393.329 3.670 20 5 GHBDHM Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228907 606427943 /nfs/dbraw/zinc/42/79/43/606427943.db2.gz IPAPYTWDTBEOSH-SECBINFHSA-N -1 3 393.329 3.670 20 5 GHBDHM O=C(c1cc2ccccc2c2cccnc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470437 607953767 /nfs/dbraw/zinc/95/37/67/607953767.db2.gz PYHCGNBFGJRTHC-UHFFFAOYSA-N -1 3 392.422 3.771 20 5 GHBDHM O=C(c1cc2ccccc2c2cccnc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470437 607953768 /nfs/dbraw/zinc/95/37/68/607953768.db2.gz PYHCGNBFGJRTHC-UHFFFAOYSA-N -1 3 392.422 3.771 20 5 GHBDHM COc1ccccc1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826218982 608124299 /nfs/dbraw/zinc/12/42/99/608124299.db2.gz PZQVVDJYBOTCEU-INIZCTEOSA-N -1 3 380.408 3.515 20 5 GHBDHM COc1ccccc1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826218982 608124300 /nfs/dbraw/zinc/12/43/00/608124300.db2.gz PZQVVDJYBOTCEU-INIZCTEOSA-N -1 3 380.408 3.515 20 5 GHBDHM CCCCC[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825265934 608160926 /nfs/dbraw/zinc/16/09/26/608160926.db2.gz CRJBCPBDZMABOG-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM CCCCC[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825265934 608160927 /nfs/dbraw/zinc/16/09/27/608160927.db2.gz CRJBCPBDZMABOG-SNVBAGLBSA-N -1 3 380.836 3.973 20 5 GHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)cs1 ZINC000120226042 834943281 /nfs/dbraw/zinc/94/32/81/834943281.db2.gz ACVVOGQJCLHNNS-NSHDSACASA-N -1 3 398.359 3.767 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cc1 ZINC000190097984 838223425 /nfs/dbraw/zinc/22/34/25/838223425.db2.gz HHMINZPRMWBOIT-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189754432 838401448 /nfs/dbraw/zinc/40/14/48/838401448.db2.gz FILZEEFKBJVSNC-UHFFFAOYSA-N -1 3 389.824 3.646 20 5 GHBDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481081546 838510358 /nfs/dbraw/zinc/51/03/58/838510358.db2.gz ZZGWNNVUKQZEFB-UHFFFAOYSA-N -1 3 389.477 3.921 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000135163346 841317560 /nfs/dbraw/zinc/31/75/60/841317560.db2.gz ZBXFYBKPKRGQNN-UHFFFAOYSA-N -1 3 378.175 3.939 20 5 GHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(-c2ccsc2)s1 ZINC000112393738 842306353 /nfs/dbraw/zinc/30/63/53/842306353.db2.gz DFTLPMABJKHTGO-UHFFFAOYSA-N -1 3 398.429 3.817 20 5 GHBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000185772343 861303063 /nfs/dbraw/zinc/30/30/63/861303063.db2.gz KFVQDPOQKQERSG-GFCCVEGCSA-N -1 3 389.458 3.758 20 5 GHBDHM CC(C)(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024894799 843660449 /nfs/dbraw/zinc/66/04/49/843660449.db2.gz HGDVYCVXUHIMGL-UHFFFAOYSA-N -1 3 391.449 3.516 20 5 GHBDHM CCOc1cc([N-]C(=O)c2scnc2C2CC2)c([N+](=O)[O-])cc1OCC ZINC000134826269 844677414 /nfs/dbraw/zinc/67/74/14/844677414.db2.gz SKQZWUQRFPVVAI-UHFFFAOYSA-N -1 3 377.422 3.978 20 5 GHBDHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000517448172 851975837 /nfs/dbraw/zinc/97/58/37/851975837.db2.gz BXLKUEHKOGQVHY-UHFFFAOYSA-N -1 3 379.276 3.844 20 5 GHBDHM CCC(=O)c1ccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000436986106 852595266 /nfs/dbraw/zinc/59/52/66/852595266.db2.gz JFOBHALJFZSUSS-UHFFFAOYSA-N -1 3 397.431 3.610 20 5 GHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481874845 862458955 /nfs/dbraw/zinc/45/89/55/862458955.db2.gz NDFFGLJNVULYKH-UHFFFAOYSA-N -1 3 382.825 3.601 20 5 GHBDHM O=C([N-]c1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000133246434 862466863 /nfs/dbraw/zinc/46/68/63/862466863.db2.gz KLBOFOZLWWAQOC-UHFFFAOYSA-N -1 3 375.344 3.682 20 5 GHBDHM O=C([O-])c1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000571686420 853986353 /nfs/dbraw/zinc/98/63/53/853986353.db2.gz AUGXCQRKZVRRAR-UHFFFAOYSA-N -1 3 387.358 3.510 20 5 GHBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)sc1Cl ZINC000473939663 854350498 /nfs/dbraw/zinc/35/04/98/854350498.db2.gz JFPRWFNELFEXOA-UHFFFAOYSA-N -1 3 381.262 3.750 20 5 GHBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487390406 855213519 /nfs/dbraw/zinc/21/35/19/855213519.db2.gz KIRBVOASIDOEKZ-HNNXBMFYSA-N -1 3 398.868 3.531 20 5 GHBDHM CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173373218 856895753 /nfs/dbraw/zinc/89/57/53/856895753.db2.gz LMADUKSLEKGGKJ-INIZCTEOSA-N -1 3 383.495 3.580 20 5 GHBDHM O=c1[n-]ccc(Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1[N+](=O)[O-] ZINC000596124859 858786219 /nfs/dbraw/zinc/78/62/19/858786219.db2.gz HXLAYCTUPUWGBX-UHFFFAOYSA-N -1 3 391.449 3.687 20 5 GHBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC001212126717 859257881 /nfs/dbraw/zinc/25/78/81/859257881.db2.gz QXQDYTZKJAJHIG-CYBMUJFWSA-N -1 3 391.287 3.604 20 5 GHBDHM COc1cc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c([N+](=O)[O-])cc1[O-] ZINC000593674143 860786508 /nfs/dbraw/zinc/78/65/08/860786508.db2.gz OOZYTGZIKVMGJF-CQSZACIVSA-N -1 3 376.384 3.840 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1csc2ccccc21 ZINC000730018379 860841410 /nfs/dbraw/zinc/84/14/10/860841410.db2.gz RUOCLUJTWJMXAR-JTQLQIEISA-N -1 3 380.422 3.988 20 5 GHBDHM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185680796 860995847 /nfs/dbraw/zinc/99/58/47/860995847.db2.gz VRAXOIVTMUBJPV-UHFFFAOYSA-N -1 3 379.372 3.835 20 5 GHBDHM CCc1c([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])onc1C(F)(F)F ZINC000594020986 863761094 /nfs/dbraw/zinc/76/10/94/863761094.db2.gz OQDMVPKMIQJATQ-UHFFFAOYSA-N -1 3 377.250 3.564 20 5 GHBDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192405 865152459 /nfs/dbraw/zinc/15/24/59/865152459.db2.gz MKYWAKHPVBEAHP-SNVBAGLBSA-N -1 3 395.404 3.678 20 5 GHBDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736192405 865152462 /nfs/dbraw/zinc/15/24/62/865152462.db2.gz MKYWAKHPVBEAHP-SNVBAGLBSA-N -1 3 395.404 3.678 20 5 GHBDHM COc1cc(CNc2nccn2Cc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000508502257 866911967 /nfs/dbraw/zinc/91/19/67/866911967.db2.gz CGZRAWMBTFPUQH-UHFFFAOYSA-N -1 3 388.811 3.819 20 5 GHBDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462326451 869252739 /nfs/dbraw/zinc/25/27/39/869252739.db2.gz SAXLGTQWTRUCSJ-LBPRGKRZSA-N -1 3 398.868 3.729 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000541784105 874296518 /nfs/dbraw/zinc/29/65/18/874296518.db2.gz BOVGUXBJHVPWNZ-UHFFFAOYSA-N -1 3 377.466 3.695 20 5 GHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3c(Cl)nc(Br)cn23)c1 ZINC001199828737 875197168 /nfs/dbraw/zinc/19/71/68/875197168.db2.gz QSHDDQWYQJNUAJ-UHFFFAOYSA-N -1 3 384.577 3.503 20 5 GHBDHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029971056 875760538 /nfs/dbraw/zinc/76/05/38/875760538.db2.gz UTHACLGNPLQYJP-LLVKDONJSA-N -1 3 384.841 3.686 20 5 GHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1[N+](=O)[O-] ZINC000491722567 875921590 /nfs/dbraw/zinc/92/15/90/875921590.db2.gz YJKQCMPBOCJZOB-UHFFFAOYSA-N -1 3 381.429 3.972 20 5 GHBDHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609444313 883198975 /nfs/dbraw/zinc/19/89/75/883198975.db2.gz VJZYVWXHHPUFEW-UHFFFAOYSA-N -1 3 376.344 3.568 20 5 GHBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2ncn(C(C)C)n2)cc1 ZINC001130688789 884845838 /nfs/dbraw/zinc/84/58/38/884845838.db2.gz ANXMHBBAZWFMDO-UHFFFAOYSA-N -1 3 397.391 3.820 20 5 GHBDHM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C(C)(C)CN1Cc1ccccc1 ZINC001168202895 885705897 /nfs/dbraw/zinc/70/58/97/885705897.db2.gz PMGZWLXVHSZILE-UHFFFAOYSA-N -1 3 397.475 3.816 20 5 GHBDHM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000532614446 886496895 /nfs/dbraw/zinc/49/68/95/886496895.db2.gz KTUXGMOACFWAIP-SECBINFHSA-N -1 3 394.396 3.585 20 5 GHBDHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000811395320 889536159 /nfs/dbraw/zinc/53/61/59/889536159.db2.gz BUANDCVXETVGCB-QMMMGPOBSA-N -1 3 393.808 3.975 20 5 GHBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000567306133 897048292 /nfs/dbraw/zinc/04/82/92/897048292.db2.gz NISDWAFCEZSOCM-OAHLLOKOSA-N -1 3 398.868 3.531 20 5 GHBDHM Cc1oc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1C(=O)[O-] ZINC000572533248 900216167 /nfs/dbraw/zinc/21/61/67/900216167.db2.gz ZLJQYUNTTXICTD-UHFFFAOYSA-N -1 3 385.376 3.524 20 5 GHBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001212935638 911769731 /nfs/dbraw/zinc/76/97/31/911769731.db2.gz DXNQNZYLBAOBSK-UHFFFAOYSA-N -1 3 397.572 3.828 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cccc(Cl)c3F)no2)[n-]nc1C(F)(F)F ZINC001212972734 916162837 /nfs/dbraw/zinc/16/28/37/916162837.db2.gz HPCUHBZYUGHZMT-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM CCOc1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCC ZINC000298636102 920748555 /nfs/dbraw/zinc/74/85/55/920748555.db2.gz IVQXEDXKMJKONN-UHFFFAOYSA-N -1 3 381.366 3.614 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000467408164 929042496 /nfs/dbraw/zinc/04/24/96/929042496.db2.gz PTPOAYCRPPPQFK-UHFFFAOYSA-N -1 3 386.433 3.848 20 5 GHBDHM Cc1csc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2F)n1 ZINC000560428823 933254705 /nfs/dbraw/zinc/25/47/05/933254705.db2.gz VTRVYIACGSSJRG-UHFFFAOYSA-N -1 3 390.352 3.644 20 5 GHBDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC001593197231 994161639 /nfs/dbraw/zinc/16/16/39/994161639.db2.gz YNAKPLNJTSXVNJ-MEBBXXQBSA-N -1 3 379.210 3.834 20 5 GHBDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267375 999037098 /nfs/dbraw/zinc/03/70/98/999037098.db2.gz XGUREBFJCLTFHN-BBRMVZONSA-N -1 3 388.395 3.575 20 5 GHBDHM O=C(c1ccsc1)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccsc1 ZINC001227690549 1032517680 /nfs/dbraw/zinc/51/76/80/1032517680.db2.gz IKQYDQCCEUHLLT-HNNXBMFYSA-N -1 3 386.414 3.992 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C(C)(C)C1 ZINC001227744382 1032540300 /nfs/dbraw/zinc/54/03/00/1032540300.db2.gz GRILILGYFTYXSC-HNNXBMFYSA-N -1 3 390.440 3.886 20 5 GHBDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C(C)(C)C1 ZINC001227744382 1032540304 /nfs/dbraw/zinc/54/03/04/1032540304.db2.gz GRILILGYFTYXSC-HNNXBMFYSA-N -1 3 390.440 3.886 20 5 GHBDHM O=C1CCc2cc([O-])c(OC3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)cc21 ZINC001228854379 1033136747 /nfs/dbraw/zinc/13/67/47/1033136747.db2.gz SAYSMSMOCXZWCR-UHFFFAOYSA-N -1 3 386.379 3.616 20 5 GHBDHM COC(=O)c1nc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)sc1C1CC1 ZINC000834435736 1026990775 /nfs/dbraw/zinc/99/07/75/1026990775.db2.gz KLFKFRWPBNCEOG-UHFFFAOYSA-N -1 3 397.359 3.554 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CCCCC2)C2CCCCC2)nc1 ZINC001213512691 1028235781 /nfs/dbraw/zinc/23/57/81/1028235781.db2.gz TXOMUDMDAIJLEN-UHFFFAOYSA-N -1 3 381.498 3.797 20 5 GHBDHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001234689790 1040222607 /nfs/dbraw/zinc/22/26/07/1040222607.db2.gz UNVYPHJIMBWDON-LLVKDONJSA-N -1 3 381.344 3.626 20 5 GHBDHM O=C([N-][C@@H](Cc1ccccc1)c1ncco1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001299943091 1046102487 /nfs/dbraw/zinc/10/24/87/1046102487.db2.gz UCQIMJQMNVFQDW-INIZCTEOSA-N -1 3 387.342 3.775 20 5 GHBDHM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001463238687 1070933132 /nfs/dbraw/zinc/93/31/32/1070933132.db2.gz KUKSSDCCTDPNAU-UHFFFAOYSA-N -1 3 382.507 3.783 20 5 GHBDHM CCSc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001309803293 1050981512 /nfs/dbraw/zinc/98/15/12/1050981512.db2.gz KKULQCCYVTZQSY-UHFFFAOYSA-N -1 3 386.882 3.839 20 5 GHBDHM CCc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001475183373 1057257656 /nfs/dbraw/zinc/25/76/56/1057257656.db2.gz AVORPJMEEIRRRD-HNNXBMFYSA-N -1 3 394.415 3.947 20 5 GHBDHM CCOC(=O)c1noc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C ZINC001439643919 1058244680 /nfs/dbraw/zinc/24/46/80/1058244680.db2.gz MWJKNSJOWNEUNJ-UHFFFAOYSA-N -1 3 388.163 3.627 20 5 GHBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001440672597 1058572611 /nfs/dbraw/zinc/57/26/11/1058572611.db2.gz JORMIAOAKPAMMO-QGZVFWFLSA-N -1 3 389.839 3.521 20 5 GHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3(C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001347399023 1062353349 /nfs/dbraw/zinc/35/33/49/1062353349.db2.gz QZKXOXGLIPDWRW-UHFFFAOYSA-N -1 3 375.450 3.977 20 5 GHBDHM COc1cc2nc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])sc2cc1OC ZINC001351066431 1064254512 /nfs/dbraw/zinc/25/45/12/1064254512.db2.gz IXKMZQKIGIDJGJ-UHFFFAOYSA-N -1 3 377.353 3.613 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCC2)c(F)c1 ZINC001464298814 1064946909 /nfs/dbraw/zinc/94/69/09/1064946909.db2.gz PQJUUSQSSRTLAJ-UHFFFAOYSA-N -1 3 398.843 3.788 20 5 GHBDHM CN(C)CCN(CC1CCCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001464477489 1065034850 /nfs/dbraw/zinc/03/48/50/1065034850.db2.gz OCXCVVVJMFHOAY-UHFFFAOYSA-N -1 3 383.876 3.538 20 5 GHBDHM CC(C)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464509205 1065053856 /nfs/dbraw/zinc/05/38/56/1065053856.db2.gz RUPZVMJWFODTCH-HNNXBMFYSA-N -1 3 382.869 3.794 20 5 GHBDHM CCOc1cc([N-]C(=O)c2nccc3cccnc32)c([N+](=O)[O-])cc1OCC ZINC001352540307 1065114145 /nfs/dbraw/zinc/11/41/45/1065114145.db2.gz CMBNNPRQXXPNBI-UHFFFAOYSA-N -1 3 382.376 3.588 20 5 GHBDHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001475052400 1074711070 /nfs/dbraw/zinc/71/10/70/1074711070.db2.gz MBXMLWWJLRMWFQ-NSHDSACASA-N -1 3 393.303 3.995 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)c(Cl)c1 ZINC001475345440 1074841656 /nfs/dbraw/zinc/84/16/56/1074841656.db2.gz HGNLNXCBGQKSAP-OAHLLOKOSA-N -1 3 384.816 3.743 20 5 GHBDHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000819945779 599046134 /nfs/dbraw/zinc/04/61/34/599046134.db2.gz DMHUKMBMCPXRHM-UHFFFAOYSA-N -1 3 398.379 3.914 20 5 GHBDHM CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000819945779 599046137 /nfs/dbraw/zinc/04/61/37/599046137.db2.gz DMHUKMBMCPXRHM-UHFFFAOYSA-N -1 3 398.379 3.914 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644611 599056325 /nfs/dbraw/zinc/05/63/25/599056325.db2.gz JLIGEHNJTQPDSQ-RWMBFGLXSA-N -1 3 379.424 3.704 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644611 599056328 /nfs/dbraw/zinc/05/63/28/599056328.db2.gz JLIGEHNJTQPDSQ-RWMBFGLXSA-N -1 3 379.424 3.704 20 5 GHBDHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736198428 598814956 /nfs/dbraw/zinc/81/49/56/598814956.db2.gz IIOUCWXVOOOSQG-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736198428 598814958 /nfs/dbraw/zinc/81/49/58/598814958.db2.gz IIOUCWXVOOOSQG-SNVBAGLBSA-N -1 3 392.341 3.991 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3Cl)cc(-c3nnn[n-]3)c2c1 ZINC000823646047 599501343 /nfs/dbraw/zinc/50/13/43/599501343.db2.gz ZLFJZDYPXGMNET-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3Cl)cc(-c3nn[n-]n3)c2c1 ZINC000823646047 599501345 /nfs/dbraw/zinc/50/13/45/599501345.db2.gz ZLFJZDYPXGMNET-UHFFFAOYSA-N -1 3 395.810 3.631 20 5 GHBDHM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822340684 599528577 /nfs/dbraw/zinc/52/85/77/599528577.db2.gz CGNBYSBNEPBBTA-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822340684 599528579 /nfs/dbraw/zinc/52/85/79/599528579.db2.gz CGNBYSBNEPBBTA-KRWDZBQOSA-N -1 3 387.403 3.731 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CSc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823644660 599562922 /nfs/dbraw/zinc/56/29/22/599562922.db2.gz JZQLRWWYEDXJMB-HNNXBMFYSA-N -1 3 391.416 3.582 20 5 GHBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CSc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823644660 599562924 /nfs/dbraw/zinc/56/29/24/599562924.db2.gz JZQLRWWYEDXJMB-HNNXBMFYSA-N -1 3 391.416 3.582 20 5 GHBDHM CC(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000824348118 607521990 /nfs/dbraw/zinc/52/19/90/607521990.db2.gz ZXOYCPGETPDYSB-UHFFFAOYSA-N -1 3 386.799 3.804 20 5 GHBDHM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000824348118 607521991 /nfs/dbraw/zinc/52/19/91/607521991.db2.gz ZXOYCPGETPDYSB-UHFFFAOYSA-N -1 3 386.799 3.804 20 5 GHBDHM O=C(CCC1CCCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405845 607525305 /nfs/dbraw/zinc/52/53/05/607525305.db2.gz WOCMFWCJJXFMBA-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM O=C(CCC1CCCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405845 607525307 /nfs/dbraw/zinc/52/53/07/607525307.db2.gz WOCMFWCJJXFMBA-UHFFFAOYSA-N -1 3 378.820 3.727 20 5 GHBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1nnn[n-]1 ZINC000821787292 606339550 /nfs/dbraw/zinc/33/95/50/606339550.db2.gz RAXYRPQFZYRBNA-GHXNOFRVSA-N -1 3 398.766 3.662 20 5 GHBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1-c1nn[n-]n1 ZINC000821787292 606339551 /nfs/dbraw/zinc/33/95/51/606339551.db2.gz RAXYRPQFZYRBNA-GHXNOFRVSA-N -1 3 398.766 3.662 20 5 GHBDHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000176969680 837826695 /nfs/dbraw/zinc/82/66/95/837826695.db2.gz FNUTYUKMSOFGBY-UHFFFAOYSA-N -1 3 392.202 3.794 20 5 GHBDHM CC(C)c1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1-c1ccccc1F ZINC000610225805 835267741 /nfs/dbraw/zinc/26/77/41/835267741.db2.gz PVXZFZQCHWMHBE-UHFFFAOYSA-N -1 3 387.346 3.829 20 5 GHBDHM O=C(CCCc1ccccc1)[N-]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000134692530 835903256 /nfs/dbraw/zinc/90/32/56/835903256.db2.gz OCUATJXMAHFSES-UHFFFAOYSA-N -1 3 381.388 3.821 20 5 GHBDHM CCc1cccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s2)c1 ZINC000510179468 836648066 /nfs/dbraw/zinc/64/80/66/836648066.db2.gz HEVXRFILPWYSQG-UHFFFAOYSA-N -1 3 384.417 3.557 20 5 GHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])c2)n1 ZINC000175577991 836719919 /nfs/dbraw/zinc/71/99/19/836719919.db2.gz YTDHWNMPTDOAPA-UHFFFAOYSA-N -1 3 398.806 3.813 20 5 GHBDHM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(F)(F)F ZINC000263501112 846256562 /nfs/dbraw/zinc/25/65/62/846256562.db2.gz KUKQYNOHRXKDEQ-ZIAGYGMSSA-N -1 3 384.310 3.550 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(C(F)(F)F)c1 ZINC000162751797 862106996 /nfs/dbraw/zinc/10/69/96/862106996.db2.gz FASSOTBQDBUQKA-LBPRGKRZSA-N -1 3 390.339 3.563 20 5 GHBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc2c1OCO2 ZINC000436609182 852109563 /nfs/dbraw/zinc/10/95/63/852109563.db2.gz IBWWENMHLOLKFB-UHFFFAOYSA-N -1 3 377.312 3.899 20 5 GHBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc(Cl)cc1[O-] ZINC000153717865 855953756 /nfs/dbraw/zinc/95/37/56/855953756.db2.gz VICUXCIZKUNHRD-UHFFFAOYSA-N -1 3 385.601 3.898 20 5 GHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000568790277 856127754 /nfs/dbraw/zinc/12/77/54/856127754.db2.gz XGJTUSQCVZRZMC-UHFFFAOYSA-N -1 3 394.478 3.705 20 5 GHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000026838982 856622657 /nfs/dbraw/zinc/62/26/57/856622657.db2.gz QXVYUIYZONVIRM-QGZVFWFLSA-N -1 3 380.853 3.986 20 5 GHBDHM Nc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000134249766 862908719 /nfs/dbraw/zinc/90/87/19/862908719.db2.gz GOFJEJXWPIZAQX-UHFFFAOYSA-N -1 3 393.787 3.740 20 5 GHBDHM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000521107714 857626083 /nfs/dbraw/zinc/62/60/83/857626083.db2.gz CPKKOSHHXYCZJJ-LLVKDONJSA-N -1 3 384.841 3.686 20 5 GHBDHM O=c1[n-]nc(SCc2nc3ccccc3c3ccccc23)n1C[C@@H]1CCCO1 ZINC000020080589 858370617 /nfs/dbraw/zinc/37/06/17/858370617.db2.gz BXWKFRDQFUYUOA-AWEZNQCLSA-N -1 3 392.484 3.744 20 5 GHBDHM O=C([O-])CC[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000596020181 858761359 /nfs/dbraw/zinc/76/13/59/858761359.db2.gz DPBKXZBXDMZDQI-GFCCVEGCSA-N -1 3 386.326 3.988 20 5 GHBDHM O=C([O-])CC[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000596020182 858762550 /nfs/dbraw/zinc/76/25/50/858762550.db2.gz DPBKXZBXDMZDQI-LBPRGKRZSA-N -1 3 386.326 3.988 20 5 GHBDHM COc1cc(CCC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000596065637 858769624 /nfs/dbraw/zinc/76/96/24/858769624.db2.gz IFRQGPNSVLABKI-UHFFFAOYSA-N -1 3 387.436 3.562 20 5 GHBDHM CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183557 858799582 /nfs/dbraw/zinc/79/95/82/858799582.db2.gz GFNUCMDEBHUWON-XPTSAGLGSA-N -1 3 382.214 3.646 20 5 GHBDHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185656836 860820531 /nfs/dbraw/zinc/82/05/31/860820531.db2.gz URIOGQBZWBUNBS-UHFFFAOYSA-N -1 3 391.689 3.542 20 5 GHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000593733448 861081073 /nfs/dbraw/zinc/08/10/73/861081073.db2.gz ULWLVDCYHYPOJM-AWEZNQCLSA-N -1 3 381.388 3.814 20 5 GHBDHM CC(C)Cn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C(C)C ZINC000499282263 881899539 /nfs/dbraw/zinc/89/95/39/881899539.db2.gz DLQXDTNMPZOMGH-UHFFFAOYSA-N -1 3 394.497 3.555 20 5 GHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Sc1ccccc1 ZINC000462606667 869757570 /nfs/dbraw/zinc/75/75/70/869757570.db2.gz QOBYFPSYKPDMRX-NSHDSACASA-N -1 3 386.882 3.707 20 5 GHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(C(F)(F)F)c1 ZINC000539944166 870052707 /nfs/dbraw/zinc/05/27/07/870052707.db2.gz UTWZXINKDZZSSI-ZDUSSCGKSA-N -1 3 378.372 3.615 20 5 GHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(F)c1 ZINC000541036573 872775650 /nfs/dbraw/zinc/77/56/50/872775650.db2.gz OUEOBOZOXVBPLL-UHFFFAOYSA-N -1 3 386.257 3.929 20 5 GHBDHM CC(C)Cc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000153084630 875426105 /nfs/dbraw/zinc/42/61/05/875426105.db2.gz ZTMIXLBDGWIEGT-UHFFFAOYSA-N -1 3 385.243 3.660 20 5 GHBDHM COc1ccc(I)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224447 875586540 /nfs/dbraw/zinc/58/65/40/875586540.db2.gz NSFAVRNBCPKDEF-UHFFFAOYSA-N -1 3 386.145 3.657 20 5 GHBDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000786880753 877032832 /nfs/dbraw/zinc/03/28/32/877032832.db2.gz OJBAPUWYAYPZPK-UHFFFAOYSA-N -1 3 395.746 3.771 20 5 GHBDHM CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2C1 ZINC000853316698 878966919 /nfs/dbraw/zinc/96/69/19/878966919.db2.gz ZEILDVPSJWKPKG-UHFFFAOYSA-N -1 3 386.408 3.732 20 5 GHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1N1CCCCC1 ZINC000493345680 879390154 /nfs/dbraw/zinc/39/01/54/879390154.db2.gz ZPAPEWKCBYHGFU-UHFFFAOYSA-N -1 3 391.431 3.649 20 5 GHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000790653648 879918133 /nfs/dbraw/zinc/91/81/33/879918133.db2.gz OANPFILRPVWSEW-UHFFFAOYSA-N -1 3 385.254 3.783 20 5 GHBDHM CCOC(=O)c1sc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1C ZINC000856016526 880924195 /nfs/dbraw/zinc/92/41/95/880924195.db2.gz CRUALYKFIXCNKF-UHFFFAOYSA-N -1 3 384.360 3.980 20 5 GHBDHM COC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000809235728 887217429 /nfs/dbraw/zinc/21/74/29/887217429.db2.gz FNWHAEMLMZCAPO-OAHLLOKOSA-N -1 3 384.766 3.844 20 5 GHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1Cl ZINC000811832420 890017455 /nfs/dbraw/zinc/01/74/55/890017455.db2.gz PWIHSXZMJLUNRP-UHFFFAOYSA-N -1 3 380.809 3.814 20 5 GHBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000040414166 895349077 /nfs/dbraw/zinc/34/90/77/895349077.db2.gz WSSUTDKYXKHZJD-UHFFFAOYSA-N -1 3 391.630 3.812 20 5 GHBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)nc(=O)c2c1C ZINC000004828885 914114833 /nfs/dbraw/zinc/11/48/33/914114833.db2.gz BVJHJZGRWRLTMD-JTQLQIEISA-N -1 3 387.417 3.736 20 5 GHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnn(-c2cccc(Cl)c2)n1 ZINC000800147821 898664910 /nfs/dbraw/zinc/66/49/10/898664910.db2.gz BIEJFWXECPBTSM-UHFFFAOYSA-N -1 3 375.747 3.529 20 5 GHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000600675291 902812838 /nfs/dbraw/zinc/81/28/38/902812838.db2.gz LGSAKOJNSBMUTG-LBPRGKRZSA-N -1 3 375.450 3.999 20 5 GHBDHM O=[N+]([O-])c1c(-c2nc(-c3cc(F)ccc3Cl)no2)[n-]nc1C(F)(F)F ZINC001212973394 916168979 /nfs/dbraw/zinc/16/89/79/916168979.db2.gz ZRLDOWDYPLXOTO-UHFFFAOYSA-N -1 3 377.641 3.846 20 5 GHBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000797068820 932167949 /nfs/dbraw/zinc/16/79/49/932167949.db2.gz GOAYCICGSBKANP-UHFFFAOYSA-N -1 3 379.372 3.522 20 5 GHBDHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001138017378 935929777 /nfs/dbraw/zinc/92/97/77/935929777.db2.gz IKQXANQNTYEZCC-QWHCGFSZSA-N -1 3 377.194 3.805 20 5 GHBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC001594964178 982717561 /nfs/dbraw/zinc/71/75/61/982717561.db2.gz FXWARCQVWQWHJA-CKNLXJGOSA-N -1 3 394.468 3.571 20 5 GHBDHM COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)N(C)C)c1 ZINC001599657114 994599889 /nfs/dbraw/zinc/59/98/89/994599889.db2.gz HQQZTEFCSOSBMS-OAHLLOKOSA-N -1 3 393.827 3.670 20 5 GHBDHM Cc1cc2[n-]c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001228671471 1033035780 /nfs/dbraw/zinc/03/57/80/1033035780.db2.gz HVFQPJMGTKPARC-NHYWBVRUSA-N -1 3 394.403 3.506 20 5 GHBDHM Cc1cc2[n-]c(O[C@@H]3C[C@@H]4CC[C@H]3N4C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228676098 1033038535 /nfs/dbraw/zinc/03/85/35/1033038535.db2.gz CKSIZRHSOVRJMA-SGIREYDYSA-N -1 3 388.424 3.699 20 5 GHBDHM CC(C)(C)OC(=O)c1c([N-]c2ccc([N+](=O)[O-])nc2)sc2c1CCOC2 ZINC001203568874 1027438817 /nfs/dbraw/zinc/43/88/17/1027438817.db2.gz IHDRUOXHVITGSG-UHFFFAOYSA-N -1 3 377.422 3.823 20 5 GHBDHM O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226118560 1031797568 /nfs/dbraw/zinc/79/75/68/1031797568.db2.gz HEZQYBOVINNEDT-UHFFFAOYSA-N -1 3 390.440 3.738 20 5 GHBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001209694725 1035358736 /nfs/dbraw/zinc/35/87/36/1035358736.db2.gz VSYHYOMXDBQWNA-JFGNBEQYSA-N -1 3 380.388 3.717 20 5 GHBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497217 1039391969 /nfs/dbraw/zinc/39/19/69/1039391969.db2.gz GBPITQJELYAJAZ-AOOOYVTPSA-N -1 3 396.831 3.901 20 5 GHBDHM C[C@@H]1C[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233497848 1039392234 /nfs/dbraw/zinc/39/22/34/1039392234.db2.gz IOGVDQCPLNASAV-ZJUUUORDSA-N -1 3 396.831 3.901 20 5 GHBDHM C[C@H]1[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507665 1039397891 /nfs/dbraw/zinc/39/78/91/1039397891.db2.gz ZVPZSMAENTVWLA-ISVAXAHUSA-N -1 3 382.804 3.511 20 5 GHBDHM CCCCOC(=O)[C@H](C)Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C ZINC001234171546 1039906541 /nfs/dbraw/zinc/90/65/41/1039906541.db2.gz NRCPIDAMZHAHFR-ZDUSSCGKSA-N -1 3 399.443 3.517 20 5 GHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC001462843209 1070590574 /nfs/dbraw/zinc/59/05/74/1070590574.db2.gz IAXCQYPDHPKLJO-HNNXBMFYSA-N -1 3 388.367 3.794 20 5 GHBDHM O=C(Oc1cc(F)ccc1Br)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001265955521 1047696415 /nfs/dbraw/zinc/69/64/15/1047696415.db2.gz FYXRTKCSYJCJNH-UHFFFAOYSA-N -1 3 380.129 3.592 20 5 GHBDHM COc1cc(C(=O)[N-]c2c(F)ccc(Br)c2F)ccc1[N+](=O)[O-] ZINC001289428167 1049485150 /nfs/dbraw/zinc/48/51/50/1049485150.db2.gz XQPCPTNZQCKDFL-UHFFFAOYSA-N -1 3 387.136 3.896 20 5 GHBDHM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001309269440 1050540719 /nfs/dbraw/zinc/54/07/19/1050540719.db2.gz RLQPYXMCJPOOAJ-UHFFFAOYSA-N -1 3 380.441 3.818 20 5 GHBDHM Cc1nc(C(C)C)sc1C(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001455349712 1062110373 /nfs/dbraw/zinc/11/03/73/1062110373.db2.gz POUKCHBXZKUZFJ-UHFFFAOYSA-N -1 3 397.403 3.574 20 5 GHBDHM O=C(Nc1cc(Br)c2ccccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001458021250 1063511035 /nfs/dbraw/zinc/51/10/35/1063511035.db2.gz ALHOCGSZRBERKY-UHFFFAOYSA-N -1 3 388.177 3.863 20 5 GHBDHM O=[N+]([O-])c1c2ccncc2ccc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001458548750 1063885063 /nfs/dbraw/zinc/88/50/63/1063885063.db2.gz XUCNKPBHHFNQIC-UHFFFAOYSA-N -1 3 398.850 3.824 20 5 GHBDHM O=C([N-]c1nc(-c2ccc3c(c2)OCO3)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC001352154418 1064889117 /nfs/dbraw/zinc/88/91/17/1064889117.db2.gz HELBBRIIOTVYMY-UHFFFAOYSA-N -1 3 387.348 3.838 20 5 GHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2ccccc2s1 ZINC001475202128 1074783102 /nfs/dbraw/zinc/78/31/02/1074783102.db2.gz VZPPWEFEQMYSCH-JTQLQIEISA-N -1 3 380.422 3.988 20 5 GHBDHM CCCn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC001475271703 1074815182 /nfs/dbraw/zinc/81/51/82/1074815182.db2.gz FXCIQRHWZXHGEJ-UHFFFAOYSA-N -1 3 392.264 3.592 20 5 GHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1C ZINC001475655777 1074993868 /nfs/dbraw/zinc/99/38/68/1074993868.db2.gz HHLPICMUDFTMJN-RHSMWYFYSA-N -1 3 396.415 3.539 20 5 GHBDHM CC(C)c1csc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000820197244 599042845 /nfs/dbraw/zinc/04/28/45/599042845.db2.gz HVPQAFHIBGBVPH-LBPRGKRZSA-N -1 3 399.480 3.739 20 5 GHBDHM CC(C)c1csc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000820197244 599042848 /nfs/dbraw/zinc/04/28/48/599042848.db2.gz HVPQAFHIBGBVPH-LBPRGKRZSA-N -1 3 399.480 3.739 20 5 GHBDHM O=[N+]([O-])c1cnc(SCc2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738373381 598501342 /nfs/dbraw/zinc/50/13/42/598501342.db2.gz BLLPPGRVFDKZAU-UHFFFAOYSA-N -1 3 383.220 3.769 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820460775 599353565 /nfs/dbraw/zinc/35/35/65/599353565.db2.gz BWCTVZSJOHAMHS-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820460775 599353566 /nfs/dbraw/zinc/35/35/66/599353566.db2.gz BWCTVZSJOHAMHS-VIFPVBQESA-N -1 3 389.213 3.711 20 5 GHBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1nc(C)cs1 ZINC000820925697 599528632 /nfs/dbraw/zinc/52/86/32/599528632.db2.gz KOOYLXLSYXZMFB-ZDUSSCGKSA-N -1 3 396.436 3.651 20 5 GHBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1nc(C)cs1 ZINC000820925697 599528635 /nfs/dbraw/zinc/52/86/35/599528635.db2.gz KOOYLXLSYXZMFB-ZDUSSCGKSA-N -1 3 396.436 3.651 20 5 GHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000824649864 607448159 /nfs/dbraw/zinc/44/81/59/607448159.db2.gz NVYNULBLMXAFAU-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694436 604645475 /nfs/dbraw/zinc/64/54/75/604645475.db2.gz QYVSFABBSRRUKS-HNNXBMFYSA-N -1 3 379.210 3.615 20 5 GHBDHM CCc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC000821476274 606099976 /nfs/dbraw/zinc/09/99/76/606099976.db2.gz KXPJIIOQTYTKMB-UHFFFAOYSA-N -1 3 398.448 3.530 20 5 GHBDHM CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1[N+](=O)[O-] ZINC000821476274 606099978 /nfs/dbraw/zinc/09/99/78/606099978.db2.gz KXPJIIOQTYTKMB-UHFFFAOYSA-N -1 3 398.448 3.530 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455665 606136316 /nfs/dbraw/zinc/13/63/16/606136316.db2.gz KQFUCAGIPIDMFC-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455665 606136317 /nfs/dbraw/zinc/13/63/17/606136317.db2.gz KQFUCAGIPIDMFC-VIFPVBQESA-N -1 3 378.314 3.967 20 5 GHBDHM C[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824390783 608161083 /nfs/dbraw/zinc/16/10/83/608161083.db2.gz DKBFKMSRKQEDBO-VIFPVBQESA-N -1 3 378.820 3.583 20 5 GHBDHM C[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824390783 608161085 /nfs/dbraw/zinc/16/10/85/608161085.db2.gz DKBFKMSRKQEDBO-VIFPVBQESA-N -1 3 378.820 3.583 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2ncccc12 ZINC000826498443 608442978 /nfs/dbraw/zinc/44/29/78/608442978.db2.gz VCQSCQKDIYLSMX-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2ncccc12 ZINC000826498443 608442979 /nfs/dbraw/zinc/44/29/79/608442979.db2.gz VCQSCQKDIYLSMX-UHFFFAOYSA-N -1 3 399.414 3.617 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826263650 608840722 /nfs/dbraw/zinc/84/07/22/608840722.db2.gz LJNUMQMBUUELRX-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826263650 608840726 /nfs/dbraw/zinc/84/07/26/608840726.db2.gz LJNUMQMBUUELRX-UHFFFAOYSA-N -1 3 386.799 3.606 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499775 608881127 /nfs/dbraw/zinc/88/11/27/608881127.db2.gz WZJNTCMYBSMBQQ-IZZDOVSWSA-N -1 3 386.730 3.792 20 5 GHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499775 608881130 /nfs/dbraw/zinc/88/11/30/608881130.db2.gz WZJNTCMYBSMBQQ-IZZDOVSWSA-N -1 3 386.730 3.792 20 5 GHBDHM