smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N(Sc2ccc([N+](=O)[O-])cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000002970647 862074357 /nfs/dbraw/zinc/07/43/57/862074357.db2.gz PSTOTPARBIXGJM-MRXNPFEDSA-N 0 0 376.459 3.728 50 5 GHBARN Cc1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000002984779 862081707 /nfs/dbraw/zinc/08/17/07/862081707.db2.gz FZFOTYHJWJFTCT-UHFFFAOYSA-N 0 0 398.415 3.747 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOc1ccccc1Cl ZINC000040095063 856659897 /nfs/dbraw/zinc/65/98/97/856659897.db2.gz QEEKTBBDUYPLAV-UHFFFAOYSA-N 0 0 379.800 3.800 50 5 GHBARN COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000055292314 858936617 /nfs/dbraw/zinc/93/66/17/858936617.db2.gz AQIFDBXPDFEBCS-UHFFFAOYSA-N 0 0 385.464 3.551 50 5 GHBARN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138253 898151481 /nfs/dbraw/zinc/15/14/81/898151481.db2.gz UMCKFPNCQVBOEI-UHFFFAOYSA-N 0 0 389.323 3.967 50 5 GHBARN CCc1cccc(C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000013149781 899095598 /nfs/dbraw/zinc/09/55/98/899095598.db2.gz MRHOFZXMRDBQPE-UHFFFAOYSA-N 0 0 397.460 3.998 50 5 GHBARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C2=O ZINC000027917976 900351878 /nfs/dbraw/zinc/35/18/78/900351878.db2.gz RLFJVWHTWGJGGM-CQSZACIVSA-N 0 0 396.399 3.584 50 5 GHBARN CCOC(=O)/C=C1\CCC(Sc2ccccc2[N+](=O)[O-])=C1N1CCOCC1 ZINC000003219716 901066389 /nfs/dbraw/zinc/06/63/89/901066389.db2.gz QWJPBVBPCWTDPO-BUHFOSPRSA-N 0 0 390.461 3.514 50 5 GHBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)c(F)c1F ZINC000096911703 915182473 /nfs/dbraw/zinc/18/24/73/915182473.db2.gz WARHGHYKOAFEBF-RJRFIUFISA-N 0 0 380.278 3.531 50 5 GHBARN CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000096947463 915266683 /nfs/dbraw/zinc/26/66/83/915266683.db2.gz DYWHILZUBYUGPL-HJBMFWNLSA-N 0 0 397.475 3.816 50 5 GHBARN COc1cc(/C=C\C(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000229762166 1028345726 /nfs/dbraw/zinc/34/57/26/1028345726.db2.gz WIAXGHGIKWLBIQ-XLMCQVRKSA-N 0 0 384.379 3.723 50 5 GHBARN Cc1ccc([C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000408515297 231048424 /nfs/dbraw/zinc/04/84/24/231048424.db2.gz MVYGUAWIOPYRCH-NRFANRHFSA-N 0 0 377.400 3.583 50 5 GHBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1Cc1cccnc1 ZINC000001209665 203896243 /nfs/dbraw/zinc/89/62/43/203896243.db2.gz IGPKNBILKWYGSI-UHFFFAOYSA-N 0 0 375.340 3.578 50 5 GHBARN O=c1cc(-c2ccccc2)n2c(-c3ccco3)nn(-c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000001035564 203875860 /nfs/dbraw/zinc/87/58/60/203875860.db2.gz OMGSZZPTPUSBCT-UHFFFAOYSA-N 0 0 399.366 3.715 50 5 GHBARN O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccccc3F)n2)c2c(c1)COCO2 ZINC000003435735 204006420 /nfs/dbraw/zinc/00/64/20/204006420.db2.gz HDLBWWIHUGSRHB-UHFFFAOYSA-N 0 0 388.380 3.678 50 5 GHBARN Cc1nn(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000003443896 204007614 /nfs/dbraw/zinc/00/76/14/204007614.db2.gz KPDLWIDKCGUPMT-UHFFFAOYSA-N 0 0 392.459 3.747 50 5 GHBARN COc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000003442024 204007983 /nfs/dbraw/zinc/00/79/83/204007983.db2.gz STALPRFIOXAFHV-UHFFFAOYSA-N 0 0 392.795 3.669 50 5 GHBARN O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003671960 204019331 /nfs/dbraw/zinc/01/93/31/204019331.db2.gz JLVGDLCYDLJCML-UHFFFAOYSA-N 0 0 376.324 3.965 50 5 GHBARN Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=O)c1cc2ccccc2o1 ZINC000004087971 204026367 /nfs/dbraw/zinc/02/63/67/204026367.db2.gz ODVYFPRFGZOTPP-UHFFFAOYSA-N 0 0 381.388 3.738 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCOc1ccc(Cl)cc1 ZINC000004117104 204027350 /nfs/dbraw/zinc/02/73/50/204027350.db2.gz FZBWDIMJHXXTPZ-UHFFFAOYSA-N 0 0 377.828 3.576 50 5 GHBARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004387367 204043299 /nfs/dbraw/zinc/04/32/99/204043299.db2.gz FGLPQYHOPXXXFS-CQSZACIVSA-N 0 0 377.809 3.690 50 5 GHBARN C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004286714 204036299 /nfs/dbraw/zinc/03/62/99/204036299.db2.gz KIGPHHLTARAQND-CYBMUJFWSA-N 0 0 381.388 3.579 50 5 GHBARN Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706960 204066743 /nfs/dbraw/zinc/06/67/43/204066743.db2.gz MOFRDHOHAWYQOP-UHFFFAOYSA-N 0 0 375.812 3.646 50 5 GHBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1c[nH]c2ccccc12 ZINC000004840248 204080928 /nfs/dbraw/zinc/08/09/28/204080928.db2.gz ARIUHJULSHTFFX-UHFFFAOYSA-N 0 0 393.399 3.716 50 5 GHBARN CNc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000004865846 204084456 /nfs/dbraw/zinc/08/44/56/204084456.db2.gz DUZBWUFEMURSEI-UHFFFAOYSA-N 0 0 388.855 3.561 50 5 GHBARN CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000004870640 204084795 /nfs/dbraw/zinc/08/47/95/204084795.db2.gz PMXYWMSIHNAETL-AWEZNQCLSA-N 0 0 376.796 3.924 50 5 GHBARN COc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004904428 204089153 /nfs/dbraw/zinc/08/91/53/204089153.db2.gz SLPVMFJLRPIUSM-UHFFFAOYSA-N 0 0 384.436 3.644 50 5 GHBARN CCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004529288 204050720 /nfs/dbraw/zinc/05/07/20/204050720.db2.gz CJBWWPFIRGISAV-NSHDSACASA-N 0 0 399.618 3.528 50 5 GHBARN Cc1[nH]c2c(cccc2C)c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004580906 204055546 /nfs/dbraw/zinc/05/55/46/204055546.db2.gz LXTJBPRDFWLNHO-UHFFFAOYSA-N 0 0 387.461 3.522 50 5 GHBARN CCOC(=O)C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000004653452 204058983 /nfs/dbraw/zinc/05/89/83/204058983.db2.gz FJMPNWGLXMMOTN-HNNXBMFYSA-N 0 0 390.823 3.981 50 5 GHBARN Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)ncc1-c1ccc(Cl)c(Cl)c1 ZINC000004678291 204063441 /nfs/dbraw/zinc/06/34/41/204063441.db2.gz KAMZAKQEWKPMOQ-UHFFFAOYSA-N 0 0 391.214 3.976 50 5 GHBARN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005092844 204111403 /nfs/dbraw/zinc/11/14/03/204111403.db2.gz VDQVDNIHVOYWKD-UHFFFAOYSA-N 0 0 394.258 3.793 50 5 GHBARN Cc1c(C(=O)NCc2ccco2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931114 204093560 /nfs/dbraw/zinc/09/35/60/204093560.db2.gz DYMYTXXHADGEEV-UHFFFAOYSA-N 0 0 382.401 3.802 50 5 GHBARN Cc1ccc2oc3cc(NCCO)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 ZINC000004981616 204099793 /nfs/dbraw/zinc/09/97/93/204099793.db2.gz APWKZRVECGSXFF-UHFFFAOYSA-N 0 0 386.407 3.654 50 5 GHBARN Cc1nc(N2CCOCC2)nc(Oc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000005024865 204103852 /nfs/dbraw/zinc/10/38/52/204103852.db2.gz NRJJYZNFEDPMGH-UHFFFAOYSA-N 0 0 392.415 3.989 50 5 GHBARN Cc1cc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000005694674 204147726 /nfs/dbraw/zinc/14/77/26/204147726.db2.gz WYYDLRSKNDPBAA-UHFFFAOYSA-N 0 0 381.413 3.500 50 5 GHBARN Cc1ccc(OCCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000005968671 204159528 /nfs/dbraw/zinc/15/95/28/204159528.db2.gz FUWKAMGDLSRWQG-UHFFFAOYSA-N 0 0 384.432 3.742 50 5 GHBARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000006000416 204161574 /nfs/dbraw/zinc/16/15/74/204161574.db2.gz WCLFLCRCSUOXIP-NSHDSACASA-N 0 0 386.433 3.989 50 5 GHBARN COc1cc(NC(=O)CSc2ncnc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000005505369 204136373 /nfs/dbraw/zinc/13/63/73/204136373.db2.gz SBVIJBJYAWZAJC-UHFFFAOYSA-N 0 0 384.417 3.586 50 5 GHBARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006602580 204186791 /nfs/dbraw/zinc/18/67/91/204186791.db2.gz KQPRPFHYHWYBJM-UHFFFAOYSA-N 0 0 383.282 3.794 50 5 GHBARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000006664284 204190841 /nfs/dbraw/zinc/19/08/41/204190841.db2.gz FYZJQMYMKZUUQI-INIZCTEOSA-N 0 0 376.372 3.778 50 5 GHBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000006942233 204226831 /nfs/dbraw/zinc/22/68/31/204226831.db2.gz XIBZKMWBAMPCHZ-UHFFFAOYSA-N 0 0 384.367 3.554 50 5 GHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007975372 204256368 /nfs/dbraw/zinc/25/63/68/204256368.db2.gz JKOWBKWFHYIQAO-MRVPVSSYSA-N 0 0 399.186 3.791 50 5 GHBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008161258 204264291 /nfs/dbraw/zinc/26/42/91/204264291.db2.gz RYJXMIHMCZICAC-LIRRHRJNSA-N 0 0 386.404 3.559 50 5 GHBARN C[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008287306 204269889 /nfs/dbraw/zinc/26/98/89/204269889.db2.gz PJICHSBCIYJOEI-XLKFXECMSA-N 0 0 386.191 3.833 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000009368577 204308868 /nfs/dbraw/zinc/30/88/68/204308868.db2.gz MOVYDBJJOGJHSA-ZDUSSCGKSA-N 0 0 387.461 3.933 50 5 GHBARN O=[N+]([O-])c1ccc([C@@H](O)CNc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000009605034 204317511 /nfs/dbraw/zinc/31/75/11/204317511.db2.gz NZACQNDOAHRGCM-AWEZNQCLSA-N 0 0 378.310 3.702 50 5 GHBARN COCCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000011270398 204344113 /nfs/dbraw/zinc/34/41/13/204344113.db2.gz RWMMDMUDZVIEJJ-VMPITWQZSA-N 0 0 395.337 3.701 50 5 GHBARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000012601806 204430432 /nfs/dbraw/zinc/43/04/32/204430432.db2.gz WSZUNOMLKCYSEX-INIZCTEOSA-N 0 0 380.404 3.847 50 5 GHBARN Cn1cnc([N+](=O)[O-])c1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000022978001 204795969 /nfs/dbraw/zinc/79/59/69/204795969.db2.gz WVBFXZKWSXBUOD-UHFFFAOYSA-N 0 0 388.431 3.852 50 5 GHBARN Cc1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000032907178 204929166 /nfs/dbraw/zinc/92/91/66/204929166.db2.gz SDHGMPWBFLDHMB-UHFFFAOYSA-N 0 0 386.379 3.646 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc(F)cc1 ZINC000033647964 204966973 /nfs/dbraw/zinc/96/69/73/204966973.db2.gz IKSUTYAMITYHNO-UHFFFAOYSA-N 0 0 379.413 3.652 50 5 GHBARN CCn1c(-c2ccncc2)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S ZINC000036395917 205016798 /nfs/dbraw/zinc/01/67/98/205016798.db2.gz OXJHRKYTTODDJV-CYBMUJFWSA-N 0 0 396.476 3.813 50 5 GHBARN COCCCn1c(=O)c2ccccc2nc1SCc1cccc([N+](=O)[O-])c1C ZINC000040123081 205056056 /nfs/dbraw/zinc/05/60/56/205056056.db2.gz OCEPTRVRDKWCGP-UHFFFAOYSA-N 0 0 399.472 3.942 50 5 GHBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cc(Br)cs1 ZINC000052847785 205134485 /nfs/dbraw/zinc/13/44/85/205134485.db2.gz YFZWYORNFZMPQU-SNVBAGLBSA-N 0 0 398.282 3.878 50 5 GHBARN O=C(c1ccccc1)c1ccc(N(CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000072272755 205318789 /nfs/dbraw/zinc/31/87/89/205318789.db2.gz XXRDBQNYGRJMBT-UHFFFAOYSA-N 0 0 376.412 3.825 50 5 GHBARN Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1[N+](=O)[O-] ZINC000001455380 205713384 /nfs/dbraw/zinc/71/33/84/205713384.db2.gz CAYMEQDZJIWRFN-UHFFFAOYSA-N 0 0 383.282 3.712 50 5 GHBARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000001181004 220482132 /nfs/dbraw/zinc/48/21/32/220482132.db2.gz MOPMCJRVJMWDHC-UHFFFAOYSA-N 0 0 381.413 3.883 50 5 GHBARN COC(=O)c1ccc(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007986479 221019356 /nfs/dbraw/zinc/01/93/56/221019356.db2.gz RLJOZQVGIOXWRK-WEVVVXLNSA-N 0 0 375.764 3.791 50 5 GHBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000012557746 221207173 /nfs/dbraw/zinc/20/71/73/221207173.db2.gz FETCWNFXHRYTCY-UHFFFAOYSA-N 0 0 396.403 3.848 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000095081276 136177757 /nfs/dbraw/zinc/17/77/57/136177757.db2.gz UMQGNZMYAGIZOL-UHFFFAOYSA-N 0 0 376.254 3.680 50 5 GHBARN CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048312366 570236437 /nfs/dbraw/zinc/23/64/37/570236437.db2.gz LUQIYPROKZIVBJ-UHFFFAOYSA-N 0 0 378.494 3.573 50 5 GHBARN CSc1ccc(C(=O)NCCCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000072303185 570260611 /nfs/dbraw/zinc/26/06/11/570260611.db2.gz VKBYLJNDCBNYKC-UHFFFAOYSA-N 0 0 382.482 3.949 50 5 GHBARN O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000711150 570299612 /nfs/dbraw/zinc/29/96/12/570299612.db2.gz OIVXEQUOIXEVGS-UHFFFAOYSA-N 0 0 375.384 3.777 50 5 GHBARN Cc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cccc1[N+](=O)[O-] ZINC000012933495 570306618 /nfs/dbraw/zinc/30/66/18/570306618.db2.gz NIBSZHUVQIYMPA-UHFFFAOYSA-N 0 0 398.444 3.602 50 5 GHBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000024202983 570475127 /nfs/dbraw/zinc/47/51/27/570475127.db2.gz GROSBFRLIKTOCE-UHFFFAOYSA-N 0 0 375.450 3.632 50 5 GHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268842 570543244 /nfs/dbraw/zinc/54/32/44/570543244.db2.gz RIGXUSBMYLGMAH-UHFFFAOYSA-N 0 0 381.363 3.505 50 5 GHBARN COc1ccc(C)cc1-n1ccnc(SCc2cccc([N+](=O)[O-])c2)c1=O ZINC000033039902 570678522 /nfs/dbraw/zinc/67/85/22/570678522.db2.gz DNPUGDLWIVMKFU-UHFFFAOYSA-N 0 0 383.429 3.750 50 5 GHBARN CCOC(=O)C1=C(C)n2c3ccccc3nc2N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000013839092 570699613 /nfs/dbraw/zinc/69/96/13/570699613.db2.gz WBDZUOVIKQIGJL-SFHVURJKSA-N 0 0 378.388 3.905 50 5 GHBARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000975796 570740402 /nfs/dbraw/zinc/74/04/02/570740402.db2.gz OJPCRFRPTQZBNH-LJQANCHMSA-N 0 0 395.415 3.698 50 5 GHBARN CCC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013228227 570751075 /nfs/dbraw/zinc/75/10/75/570751075.db2.gz UGYFRWTXQRSWBL-CQSZACIVSA-N 0 0 392.459 3.894 50 5 GHBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(I)c3)n2)c1 ZINC000001119971 570753699 /nfs/dbraw/zinc/75/36/99/570753699.db2.gz JAAGDSHIPMKCDI-UHFFFAOYSA-N 0 0 393.140 3.916 50 5 GHBARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001208177 570793328 /nfs/dbraw/zinc/79/33/28/570793328.db2.gz JHCIXNAKHJLLKN-UHFFFAOYSA-N 0 0 377.335 3.720 50 5 GHBARN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000032760547 570795684 /nfs/dbraw/zinc/79/56/84/570795684.db2.gz UFGAPCXBGYXYFU-UHFFFAOYSA-N 0 0 390.795 3.656 50 5 GHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000012545547 570846175 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391.840 3.905 50 5 GHBARN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000001517824 570267406 /nfs/dbraw/zinc/26/74/06/570267406.db2.gz DTAUMZBSQHOADP-QPEQYQDCSA-N 0 0 388.763 3.610 50 5 GHBARN Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1 ZINC000012865205 570268984 /nfs/dbraw/zinc/26/89/84/570268984.db2.gz JNQAMBLPAHDTTN-UHFFFAOYSA-N 0 0 386.223 3.742 50 5 GHBARN COc1cc(Cl)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000014086287 570287374 /nfs/dbraw/zinc/28/73/74/570287374.db2.gz QZLAHKYRJYYBJQ-UHFFFAOYSA-N 0 0 382.825 3.996 50 5 GHBARN CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000016039160 570313516 /nfs/dbraw/zinc/31/35/16/570313516.db2.gz UWYRDNCOMXXPNJ-WTGUMLROSA-N 0 0 377.444 3.804 50 5 GHBARN COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004904999 570359583 /nfs/dbraw/zinc/35/95/83/570359583.db2.gz GIPMKTPLRITZTH-AQTBWJFISA-N 0 0 382.416 3.836 50 5 GHBARN O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccnc1 ZINC000000832941 570380670 /nfs/dbraw/zinc/38/06/70/570380670.db2.gz LHINQWHBMNBRJG-CYBMUJFWSA-N 0 0 389.626 3.528 50 5 GHBARN Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000024451826 570402891 /nfs/dbraw/zinc/40/28/91/570402891.db2.gz QTZWEVZSKKHYPJ-UHFFFAOYSA-N 0 0 380.444 3.876 50 5 GHBARN CC[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000006618992 570506073 /nfs/dbraw/zinc/50/60/73/570506073.db2.gz PUHQYIDYTRBJRE-ZDUSSCGKSA-N 0 0 388.445 3.818 50 5 GHBARN CCOC(=O)c1c(C)nc(C)c2c(=O)oc3ccc(Br)cc3c12 ZINC000012413767 570668319 /nfs/dbraw/zinc/66/83/19/570668319.db2.gz SGZVGQZONYLUPF-UHFFFAOYSA-N 0 0 376.206 3.897 50 5 GHBARN COC(=O)c1cccc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000032672174 570727865 /nfs/dbraw/zinc/72/78/65/570727865.db2.gz HNMHKPGPSIVMLD-LBPRGKRZSA-N 0 0 375.402 3.605 50 5 GHBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(Br)cc1 ZINC000001068891 570750276 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389.481 3.810 50 5 GHBARN CCCCn1nnnc1COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1 ZINC000005564951 570645337 /nfs/dbraw/zinc/64/53/37/570645337.db2.gz AWUVEQQZECMBDZ-UHFFFAOYSA-N 0 0 383.408 3.636 50 5 GHBARN Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(=O)[nH]c2c1 ZINC000013770504 570676812 /nfs/dbraw/zinc/67/68/12/570676812.db2.gz LYUVDBYTLJKAPL-UHFFFAOYSA-N 0 0 379.416 3.796 50 5 GHBARN Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cccc1[N+](=O)[O-] ZINC000000996339 570742415 /nfs/dbraw/zinc/74/24/15/570742415.db2.gz PFJYRWCYBHNTEC-UHFFFAOYSA-N 0 0 387.461 3.975 50 5 GHBARN COc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1OC ZINC000001066374 570749522 /nfs/dbraw/zinc/74/95/22/570749522.db2.gz LWHJNTXWVAQJMC-UHFFFAOYSA-N 0 0 386.433 3.700 50 5 GHBARN CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000001121199 570756016 /nfs/dbraw/zinc/75/60/16/570756016.db2.gz GZVGWPHKNZODNG-UHFFFAOYSA-N 0 0 384.388 3.600 50 5 GHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2nccs2)c1 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CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000079020607 842644640 /nfs/dbraw/zinc/64/46/40/842644640.db2.gz ONBSNOPUNDCAPC-UHFFFAOYSA-N 0 0 375.812 3.773 50 5 GHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])c1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000002787090 861620917 /nfs/dbraw/zinc/62/09/17/861620917.db2.gz JYEPQYDUDVSFKG-SNVBAGLBSA-N 0 0 381.417 3.876 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002843522 861684254 /nfs/dbraw/zinc/68/42/54/861684254.db2.gz IXEVBEWXIXLXBU-UHFFFAOYSA-N 0 0 381.432 3.839 50 5 GHBARN O=C(Nc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000058155159 862378528 /nfs/dbraw/zinc/37/85/28/862378528.db2.gz OFXVSRIHTMMZDD-UHFFFAOYSA-N 0 0 381.413 3.839 50 5 GHBARN CS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000253428284 855104222 /nfs/dbraw/zinc/10/42/22/855104222.db2.gz JRMKNZGZZLCZIT-UHFFFAOYSA-N 0 0 389.216 3.557 50 5 GHBARN COc1ccc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000040127436 856671589 /nfs/dbraw/zinc/67/15/89/856671589.db2.gz DPYNQZIBXKODMZ-UHFFFAOYSA-N 0 0 386.433 3.570 50 5 GHBARN Cc1cc(OC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248400 862902055 /nfs/dbraw/zinc/90/20/55/862902055.db2.gz XKODTYDAWHVCAM-UHFFFAOYSA-N 0 0 378.384 3.719 50 5 GHBARN COc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000007983890 862963517 /nfs/dbraw/zinc/96/35/17/862963517.db2.gz SZWPZNUNMJOXCZ-UHFFFAOYSA-N 0 0 394.431 3.678 50 5 GHBARN C[C@@H](Oc1ccccc1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 ZINC000019925232 858208608 /nfs/dbraw/zinc/20/86/08/858208608.db2.gz PKHMDOJTGMWQFV-GFCCVEGCSA-N 0 0 381.417 3.684 50 5 GHBARN CC(C)Oc1cccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)c1 ZINC000019826835 860386181 /nfs/dbraw/zinc/38/61/81/860386181.db2.gz GEYKYQVXPSRADF-UHFFFAOYSA-N 0 0 395.444 3.999 50 5 GHBARN O=C(c1cccc2ccccc21)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019841782 860396491 /nfs/dbraw/zinc/39/64/91/860396491.db2.gz YTVMNAMBUFAUEB-UHFFFAOYSA-N 0 0 375.428 3.706 50 5 GHBARN CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000021090922 860711108 /nfs/dbraw/zinc/71/11/08/860711108.db2.gz OSBFYSDNIIVSLW-FQEVSTJZSA-N 0 0 392.371 3.797 50 5 GHBARN O=C(Nc1ccc(CN2CCOCC2)cn1)c1cc2ccccc2c2cccnc12 ZINC000095976313 860728959 /nfs/dbraw/zinc/72/89/59/860728959.db2.gz VUYUSHSPGHQJFE-UHFFFAOYSA-N 0 0 398.466 3.868 50 5 GHBARN CCc1cccc2c([C@@H](CC(=O)NCCOC)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096276624 860835027 /nfs/dbraw/zinc/83/50/27/860835027.db2.gz PTXRRAVOPPJZOO-SFHVURJKSA-N 0 0 395.459 3.923 50 5 GHBARN COc1ccc(C(=O)N[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000096278565 860836413 /nfs/dbraw/zinc/83/64/13/860836413.db2.gz ONNHAGNVTILOBJ-KRWDZBQOSA-N 0 0 396.403 3.781 50 5 GHBARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000021837229 860950079 /nfs/dbraw/zinc/95/00/79/860950079.db2.gz QOMAZQGJIXYQNN-LLVKDONJSA-N 0 0 392.383 3.593 50 5 GHBARN NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=Nc1cccc(C(F)(F)F)c1 ZINC000252677519 866000016 /nfs/dbraw/zinc/00/00/16/866000016.db2.gz YZOPUVLWBWAGJA-UHFFFAOYSA-N 0 0 377.278 3.691 50 5 GHBARN CCOC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000002236288 866513328 /nfs/dbraw/zinc/51/33/28/866513328.db2.gz ICMXVCXYRWKQDE-UHFFFAOYSA-N 0 0 388.445 3.893 50 5 GHBARN CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000097207235 866803422 /nfs/dbraw/zinc/80/34/22/866803422.db2.gz OISGPGMCEJKEBH-RGEXLXHISA-N 0 0 377.400 3.943 50 5 GHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCCOc1ccc(Br)cc1 ZINC000033757103 885732882 /nfs/dbraw/zinc/73/28/82/885732882.db2.gz HISZADSUFGQLJR-WTKPLQERSA-N 0 0 392.205 3.993 50 5 GHBARN Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000095469791 913490428 /nfs/dbraw/zinc/49/04/28/913490428.db2.gz NCXRVPMRLQCVJE-UHFFFAOYSA-N 0 0 383.763 3.733 50 5 GHBARN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1nc2ccccc2s1 ZINC000039931803 894889764 /nfs/dbraw/zinc/88/97/64/894889764.db2.gz JGTREYWDRCVCJJ-UHFFFAOYSA-N 0 0 379.401 3.842 50 5 GHBARN CC(C)(C)OC(=O)n1cc(I)c2cc([N+](=O)[O-])ccc21 ZINC000002563793 898129213 /nfs/dbraw/zinc/12/92/13/898129213.db2.gz AHNPSRXYIVESJP-UHFFFAOYSA-N 0 0 388.161 3.937 50 5 GHBARN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000012797772 899016200 /nfs/dbraw/zinc/01/62/00/899016200.db2.gz RBELSINPMQVKDK-UHFFFAOYSA-N 0 0 388.424 3.773 50 5 GHBARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000022095658 900193255 /nfs/dbraw/zinc/19/32/55/900193255.db2.gz QZZJXJPLSVWYLL-UHFFFAOYSA-N 0 0 388.733 3.504 50 5 GHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000030835754 900510416 /nfs/dbraw/zinc/51/04/16/900510416.db2.gz JAWNCTVIXANJSW-UHFFFAOYSA-N 0 0 396.468 3.727 50 5 GHBARN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000006007980 903855824 /nfs/dbraw/zinc/85/58/24/903855824.db2.gz OSWDIGGVERPHDC-MHWRWJLKSA-N 0 0 398.396 3.618 50 5 GHBARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000009708086 203876835 /nfs/dbraw/zinc/87/68/35/203876835.db2.gz UHPBVPQVDQPDDM-NRFANRHFSA-N 0 0 388.427 3.524 50 5 GHBARN COc1ccc(-n2c(Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000001142937 203889365 /nfs/dbraw/zinc/88/93/65/203889365.db2.gz NPDQHOQVXDVRKG-UHFFFAOYSA-N 0 0 387.395 3.893 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000001774481 203918638 /nfs/dbraw/zinc/91/86/38/203918638.db2.gz VMQLMLDBWWHPCC-UHFFFAOYSA-N 0 0 395.415 3.698 50 5 GHBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000002468349 203946045 /nfs/dbraw/zinc/94/60/45/203946045.db2.gz HKRVJRSAUPKPHG-UHFFFAOYSA-N 0 0 390.371 3.790 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000002850691 203968104 /nfs/dbraw/zinc/96/81/04/203968104.db2.gz NCJAMDJSNRKNDL-SNVBAGLBSA-N 0 0 395.209 3.772 50 5 GHBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000003394251 204004199 /nfs/dbraw/zinc/00/41/99/204004199.db2.gz LQVNEAHVQKMFNN-MRXNPFEDSA-N 0 0 388.807 3.599 50 5 GHBARN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000004058883 204025516 /nfs/dbraw/zinc/02/55/16/204025516.db2.gz ZWNJCKBNBVLZIM-UHFFFAOYSA-N 0 0 387.314 3.880 50 5 GHBARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004750185 204073646 /nfs/dbraw/zinc/07/36/46/204073646.db2.gz VMAYLIFDHBGYDX-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN Cc1cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2c2ccccc12 ZINC000004843543 204082383 /nfs/dbraw/zinc/08/23/83/204082383.db2.gz NRKNDHJHFRJYDO-UHFFFAOYSA-N 0 0 393.428 3.830 50 5 GHBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O ZINC000004477717 204047190 /nfs/dbraw/zinc/04/71/90/204047190.db2.gz FHIWDEXFLGBUKA-QGZVFWFLSA-N 0 0 393.321 3.581 50 5 GHBARN COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004526204 204050382 /nfs/dbraw/zinc/05/03/82/204050382.db2.gz AOPAEGATMWFQAF-AQTBWJFISA-N 0 0 382.416 3.836 50 5 GHBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000004574892 204054044 /nfs/dbraw/zinc/05/40/44/204054044.db2.gz BSLKWHFZJARWPO-UHFFFAOYSA-N 0 0 387.245 3.543 50 5 GHBARN CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 ZINC000004688246 204064506 /nfs/dbraw/zinc/06/45/06/204064506.db2.gz LKQVSPPVOVUUTK-UHFFFAOYSA-N 0 0 394.475 3.694 50 5 GHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000004976832 204097988 /nfs/dbraw/zinc/09/79/88/204097988.db2.gz MFVVBIGZQRALIR-UHFFFAOYSA-N 0 0 398.644 3.853 50 5 GHBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1 ZINC000004975852 204098369 /nfs/dbraw/zinc/09/83/69/204098369.db2.gz WDAWFYYUNMBQLS-VIFPVBQESA-N 0 0 383.173 3.902 50 5 GHBARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000005059549 204108888 /nfs/dbraw/zinc/10/88/88/204108888.db2.gz FGCFYNOOLBRNNM-GOSISDBHSA-N 0 0 396.472 3.643 50 5 GHBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1 ZINC000005889152 204155445 /nfs/dbraw/zinc/15/54/45/204155445.db2.gz DXYUSUXIBVTMPH-UHFFFAOYSA-N 0 0 385.420 3.855 50 5 GHBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1c(Cl)ccc(F)c1F ZINC000005394078 204130682 /nfs/dbraw/zinc/13/06/82/204130682.db2.gz BWMZKZIOVWTFHV-NSHDSACASA-N 0 0 395.793 3.877 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Br)cc1F ZINC000005700256 204147083 /nfs/dbraw/zinc/14/70/83/204147083.db2.gz MYCDYCGAHHAVES-UHFFFAOYSA-N 0 0 398.188 3.556 50 5 GHBARN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000006789656 204205688 /nfs/dbraw/zinc/20/56/88/204205688.db2.gz JKKJGWLXPHRFEN-IBGZPJMESA-N 0 0 386.404 3.502 50 5 GHBARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000006265385 204173048 /nfs/dbraw/zinc/17/30/48/204173048.db2.gz OCODTJGXQSVHEI-ZUZCIYMTSA-N 0 0 376.438 3.633 50 5 GHBARN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000006471752 204180491 /nfs/dbraw/zinc/18/04/91/204180491.db2.gz BXZGFZOJHAAJRI-OQLLNIDSSA-N 0 0 385.357 3.740 50 5 GHBARN COc1ccc(C(C)(C)C)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006507871 204181090 /nfs/dbraw/zinc/18/10/90/204181090.db2.gz TXGYHHZDTLIAFB-UHFFFAOYSA-N 0 0 387.436 3.960 50 5 GHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1c[nH]c2ccccc12 ZINC000006747049 204198411 /nfs/dbraw/zinc/19/84/11/204198411.db2.gz UNAMZNGGIPVUPN-UHFFFAOYSA-N 0 0 395.462 3.995 50 5 biogenic GHBARN CSc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000006948843 204227816 /nfs/dbraw/zinc/22/78/16/204227816.db2.gz MOMCOUSTZHBDJF-UHFFFAOYSA-N 0 0 387.461 3.644 50 5 GHBARN O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000007778071 204250355 /nfs/dbraw/zinc/25/03/55/204250355.db2.gz WBWFILKDKCXHIM-UHFFFAOYSA-N 0 0 390.355 3.816 50 5 GHBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000007813762 204253040 /nfs/dbraw/zinc/25/30/40/204253040.db2.gz SDAPDSRBHJDTTO-UHFFFAOYSA-N 0 0 382.203 3.660 50 5 GHBARN CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000008586949 204280170 /nfs/dbraw/zinc/28/01/70/204280170.db2.gz SLYAOXBRVSPZOV-UHFFFAOYSA-N 0 0 382.376 3.786 50 5 aggregator GHBARN O=c1n2nc(-c3ccccc3)nc2c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000008601986 204280921 /nfs/dbraw/zinc/28/09/21/204280921.db2.gz PQQHPZODCXRNDH-UHFFFAOYSA-N 0 0 397.394 3.668 50 5 GHBARN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)nc1 ZINC000008705544 204284322 /nfs/dbraw/zinc/28/43/22/204284322.db2.gz UQACVGSMHVRRDL-UHFFFAOYSA-N 0 0 391.412 3.544 50 5 GHBARN Cc1ccc(NC(=O)CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000008777733 204290342 /nfs/dbraw/zinc/29/03/42/204290342.db2.gz JEGNZKPZMVNDHL-UHFFFAOYSA-N 0 0 383.429 3.829 50 5 GHBARN CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000008269888 204268616 /nfs/dbraw/zinc/26/86/16/204268616.db2.gz YJYSVHBRRMSLSP-NSHDSACASA-N 0 0 390.823 3.900 50 5 GHBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 ZINC000008392345 204275088 /nfs/dbraw/zinc/27/50/88/204275088.db2.gz OQBDSJROKIMZSO-LJQANCHMSA-N 0 0 378.384 3.851 50 5 GHBARN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)n1cc([N+](=O)[O-])ccc1=O ZINC000009515785 204313344 /nfs/dbraw/zinc/31/33/44/204313344.db2.gz YWRGCUMWCNZLPY-VHSXEESVSA-N 0 0 384.219 3.502 50 5 GHBARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009592193 204316427 /nfs/dbraw/zinc/31/64/27/204316427.db2.gz CBSFBIPXJZJSFG-UHFFFAOYSA-N 0 0 391.339 3.986 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000010646032 204337352 /nfs/dbraw/zinc/33/73/52/204337352.db2.gz REVOSNKCHLYXRK-ZDUSSCGKSA-N 0 0 375.860 3.950 50 5 GHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)c1C ZINC000012851878 204457120 /nfs/dbraw/zinc/45/71/20/204457120.db2.gz PYMGNHXCBOZRAK-UHFFFAOYSA-N 0 0 378.425 3.704 50 5 GHBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccccc1F ZINC000012896471 204460613 /nfs/dbraw/zinc/46/06/13/204460613.db2.gz 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O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 ZINC000001124829 205808529 /nfs/dbraw/zinc/80/85/29/205808529.db2.gz XZLPRGVXVPWKTM-BJMVGYQFSA-N 0 0 394.168 3.851 50 5 GHBARN CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187940 221097961 /nfs/dbraw/zinc/09/79/61/221097961.db2.gz GGXPKVNZFOZMCF-UHFFFAOYSA-N 0 0 395.440 3.779 50 5 GHBARN O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000048326109 132432415 /nfs/dbraw/zinc/43/24/15/132432415.db2.gz ORKIDVIDVDOPIZ-UHFFFAOYSA-N 0 0 376.363 3.664 50 5 GHBARN Cc1nc(Cc2nnc(SCCOc3ccccc3[N+](=O)[O-])o2)cs1 ZINC000048356462 570242691 /nfs/dbraw/zinc/24/26/91/570242691.db2.gz CNDFXJNBHKILLQ-UHFFFAOYSA-N 0 0 378.435 3.505 50 5 GHBARN COc1ccccc1Cn1ccnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015825638 570267484 /nfs/dbraw/zinc/26/74/84/570267484.db2.gz RBOUYHBTSLXZSD-UHFFFAOYSA-N 0 0 398.444 3.579 50 5 GHBARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000012888220 570285186 /nfs/dbraw/zinc/28/51/86/570285186.db2.gz 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COc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc2c3=O)cc1 ZINC000006660334 204190157 /nfs/dbraw/zinc/19/01/57/204190157.db2.gz ZCOCAJIZRDLLKK-UHFFFAOYSA-N 0 0 375.380 3.972 50 5 GHBARN C[C@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007081541 204232186 /nfs/dbraw/zinc/23/21/86/204232186.db2.gz FDDKREMLVBNHBW-NSHDSACASA-N 0 0 386.437 3.816 50 5 GHBARN O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000008752515 204288532 /nfs/dbraw/zinc/28/85/32/204288532.db2.gz LNFZBCYLFSELBX-UHFFFAOYSA-N 0 0 395.872 3.830 50 5 GHBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008349288 204273548 /nfs/dbraw/zinc/27/35/48/204273548.db2.gz XSXMSPAOXREVSU-GFCCVEGCSA-N 0 0 385.811 3.662 50 5 GHBARN CSc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000010870603 204339817 /nfs/dbraw/zinc/33/98/17/204339817.db2.gz GJAZHUWBUUIANI-UHFFFAOYSA-N 0 0 375.431 3.963 50 5 GHBARN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000009866627 204325716 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Cc1cc(N(C)C[C@H]2COc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040118729 205054155 /nfs/dbraw/zinc/05/41/55/205054155.db2.gz NZHOJXRCLAHLKQ-KRWDZBQOSA-N 0 0 392.415 3.636 50 5 GHBARN COc1ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1 ZINC000057508910 205159618 /nfs/dbraw/zinc/15/96/18/205159618.db2.gz HRWKAQNLJWRLTP-UHFFFAOYSA-N 0 0 388.807 3.995 50 5 GHBARN C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000089574032 205405315 /nfs/dbraw/zinc/40/53/15/205405315.db2.gz GCTSVIDGLZNNSP-GFCCVEGCSA-N 0 0 380.356 3.638 50 5 GHBARN Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000007532333 205787573 /nfs/dbraw/zinc/78/75/73/205787573.db2.gz CLRWCBGAOREYQG-KDOFPFPSSA-N 0 0 382.416 3.642 50 5 GHBARN CS(=O)(=O)c1ccc(NCCNc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000005228593 205765651 /nfs/dbraw/zinc/76/56/51/205765651.db2.gz JOAVCYHAVYAIDI-UHFFFAOYSA-N 0 0 385.445 3.676 50 5 GHBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000032831323 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392.475 3.563 50 5 GHBARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004818880 204078927 /nfs/dbraw/zinc/07/89/27/204078927.db2.gz BOCLSSSADWCMJR-UHFFFAOYSA-N 0 0 399.756 3.628 50 5 GHBARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004818909 204079306 /nfs/dbraw/zinc/07/93/06/204079306.db2.gz VJOVMVQCESYFLF-UHFFFAOYSA-N 0 0 389.433 3.519 50 5 GHBARN Cc1nc(N2CCOCC2)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000004819127 204079996 /nfs/dbraw/zinc/07/99/96/204079996.db2.gz UAZZRPNVLHZJMD-UHFFFAOYSA-N 0 0 384.223 3.580 50 5 GHBARN COc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)c([N+](=O)[O-])c1 ZINC000004881538 204086080 /nfs/dbraw/zinc/08/60/80/204086080.db2.gz WUZOIFLVOUFOOZ-UHFFFAOYSA-N 0 0 390.446 3.526 50 5 GHBARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000004499367 204048995 /nfs/dbraw/zinc/04/89/95/204048995.db2.gz FUGGFZGJOSUMJC-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004576722 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ZINC000055190182 205145223 /nfs/dbraw/zinc/14/52/23/205145223.db2.gz DJFUCAFAMRCVNY-GOSISDBHSA-N 0 0 398.854 3.799 50 5 GHBARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccn2c(=O)c3ccccc3nc12 ZINC000051317284 205132352 /nfs/dbraw/zinc/13/23/52/205132352.db2.gz FLXBDHGIMFLRMK-UHFFFAOYSA-N 0 0 397.356 3.797 50 5 GHBARN O=C(Nc1cc(F)cc(N2CCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058185715 205167631 /nfs/dbraw/zinc/16/76/31/205167631.db2.gz DNLKEXZTHFDOGN-UHFFFAOYSA-N 0 0 395.394 3.772 50 5 GHBARN COc1cc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000063917876 205189045 /nfs/dbraw/zinc/18/90/45/205189045.db2.gz VKCKAMWHFWZLJA-WEVVVXLNSA-N 0 0 399.378 3.521 50 5 GHBARN CCn1nccc1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785162 205296584 /nfs/dbraw/zinc/29/65/84/205296584.db2.gz OUSHGGJUXLTJKI-FQEVSTJZSA-N 0 0 377.404 3.873 50 5 GHBARN CC(C)CN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccccc1 ZINC000096276978 205554379 /nfs/dbraw/zinc/55/43/79/205554379.db2.gz 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Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004913389 204091088 /nfs/dbraw/zinc/09/10/88/204091088.db2.gz MUJWFPJUSHUCSH-GOSISDBHSA-N 0 0 380.400 3.524 50 5 GHBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC000005077656 204109999 /nfs/dbraw/zinc/10/99/99/204109999.db2.gz BKGNOLGCVBWSJQ-UHFFFAOYSA-N 0 0 398.440 3.619 50 5 GHBARN CCN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000005204041 204119420 /nfs/dbraw/zinc/11/94/20/204119420.db2.gz ZFAMEJFHOOZAHI-UHFFFAOYSA-N 0 0 388.855 3.642 50 5 GHBARN Cc1c(O[C@H](C)C(=O)NCc2ccccn2)ccc2c3ccccc3c(=O)oc12 ZINC000005270520 204123442 /nfs/dbraw/zinc/12/34/42/204123442.db2.gz BRTCLAOWBUGKKZ-OAHLLOKOSA-N 0 0 388.423 3.733 50 5 GHBARN COc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004918981 204092857 /nfs/dbraw/zinc/09/28/57/204092857.db2.gz IECCPHFKTVDHJI-UHFFFAOYSA-N 0 0 376.312 3.641 50 5 GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000005003406 204102400 /nfs/dbraw/zinc/10/24/00/204102400.db2.gz NCGCGYDZCHLEBK-UHFFFAOYSA-N 0 0 387.351 3.648 50 5 GHBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C1 ZINC000005032800 204105209 /nfs/dbraw/zinc/10/52/09/204105209.db2.gz LYBXZJIVDKLSHV-QWRGUYRKSA-N 0 0 376.848 3.846 50 5 GHBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000005843034 204152717 /nfs/dbraw/zinc/15/27/17/204152717.db2.gz GDTUQUUNXMLZNQ-UHFFFAOYSA-N 0 0 394.475 3.548 50 5 GHBARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006490568 204180809 /nfs/dbraw/zinc/18/08/09/204180809.db2.gz LBRAZEMALKYANO-UHFFFAOYSA-N 0 0 380.356 3.552 50 5 GHBARN CCCc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)sc1CC ZINC000006593774 204185777 /nfs/dbraw/zinc/18/57/77/204185777.db2.gz HBUVPZVTJDBMCH-UHFFFAOYSA-N 0 0 387.417 3.925 50 5 GHBARN O=C1c2ccccc2O[C@H](c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000006719589 204194327 /nfs/dbraw/zinc/19/43/27/204194327.db2.gz ARAYCDPOKGBPRQ-HXUWFJFHSA-N 0 0 388.379 3.898 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC000007267334 204237890 /nfs/dbraw/zinc/23/78/90/204237890.db2.gz KAHPOFBKKKJUNT-GFCCVEGCSA-N 0 0 377.828 3.716 50 5 GHBARN CCc1cc2c(COC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc(=O)oc2cc1O ZINC000007988702 204258471 /nfs/dbraw/zinc/25/84/71/204258471.db2.gz IVMANCWRGSRGAC-BQYQJAHWSA-N 0 0 395.367 3.726 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)CCC1CCCCC1 ZINC000007701775 204245971 /nfs/dbraw/zinc/24/59/71/204245971.db2.gz ABERBJLQBHKTCN-CYBMUJFWSA-N 0 0 378.425 3.834 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC1CCCCC1 ZINC000007701661 204246046 /nfs/dbraw/zinc/24/60/46/204246046.db2.gz TXXCBGRAJOCHTH-CYBMUJFWSA-N 0 0 378.425 3.834 50 5 GHBARN Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1-c1nccs1 ZINC000007758079 204248358 /nfs/dbraw/zinc/24/83/58/204248358.db2.gz AVAZOVBDPFQLMB-UHFFFAOYSA-N 0 0 375.381 3.860 50 5 GHBARN COc1cc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-] ZINC000007788131 204250976 /nfs/dbraw/zinc/25/09/76/204250976.db2.gz WQOUFSBQBICTGZ-UHFFFAOYSA-N 0 0 397.475 3.805 50 5 GHBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 ZINC000008747040 204288624 /nfs/dbraw/zinc/28/86/24/204288624.db2.gz IOGWPIABRUOCNY-GFCCVEGCSA-N 0 0 376.438 3.580 50 5 GHBARN CCOc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])cc1 ZINC000009009378 204297391 /nfs/dbraw/zinc/29/73/91/204297391.db2.gz LDQIORSNPGCTRS-UHFFFAOYSA-N 0 0 384.371 3.992 50 5 GHBARN CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008050919 204260257 /nfs/dbraw/zinc/26/02/57/204260257.db2.gz HHTONDORZSAIFP-LBPRGKRZSA-N 0 0 381.429 3.594 50 5 GHBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008050862 204260775 /nfs/dbraw/zinc/26/07/75/204260775.db2.gz VQWNGZRGIXRTJL-ZDUSSCGKSA-N 0 0 393.440 3.692 50 5 GHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000008161158 204264233 /nfs/dbraw/zinc/26/42/33/204264233.db2.gz CKIUZCFVRKTBEK-WMLDXEAASA-N 0 0 386.404 3.559 50 5 GHBARN C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008538716 204279284 /nfs/dbraw/zinc/27/92/84/204279284.db2.gz FRBKTDWIZMTPEH-SECBINFHSA-N 0 0 388.767 3.798 50 5 GHBARN C[C@@H](NC(=O)[C@@H](C)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1Cl ZINC000009515788 204314073 /nfs/dbraw/zinc/31/40/73/204314073.db2.gz YWRGCUMWCNZLPY-NXEZZACHSA-N 0 0 384.219 3.502 50 5 GHBARN Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000010142166 204331583 /nfs/dbraw/zinc/33/15/83/204331583.db2.gz FZGMMBFSQSUIOT-MRVPVSSYSA-N 0 0 383.813 3.506 50 5 GHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000011484261 204346919 /nfs/dbraw/zinc/34/69/19/204346919.db2.gz TUXWEQSEIDGENC-UHFFFAOYSA-N 0 0 397.353 3.645 50 5 GHBARN Cc1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])c1 ZINC000011689869 204351525 /nfs/dbraw/zinc/35/15/25/204351525.db2.gz VZSOUXPTBCKKHC-UHFFFAOYSA-N 0 0 393.193 3.689 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCCCC1 ZINC000012137686 204374725 /nfs/dbraw/zinc/37/47/25/204374725.db2.gz XRPSXGVVUIEAAX-UHFFFAOYSA-N 0 0 397.431 3.629 50 5 GHBARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000010965921 204340866 /nfs/dbraw/zinc/34/08/66/204340866.db2.gz DTCIOGXSJSACIW-UHFFFAOYSA-N 0 0 396.321 3.956 50 5 GHBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1F ZINC000012397211 204405266 /nfs/dbraw/zinc/40/52/66/204405266.db2.gz DMEUGUUWGHOFOR-UHFFFAOYSA-N 0 0 392.346 3.921 50 5 GHBARN Cc1c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cccc1[N+](=O)[O-] ZINC000012755445 204442407 /nfs/dbraw/zinc/44/24/07/204442407.db2.gz SLMIAFFDTIAROV-UHFFFAOYSA-N 0 0 380.379 3.969 50 5 GHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012745029 204440163 /nfs/dbraw/zinc/44/01/63/204440163.db2.gz CPVSVBKGFGFCEV-UHFFFAOYSA-N 0 0 382.203 3.899 50 5 GHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000018175606 204617670 /nfs/dbraw/zinc/61/76/70/204617670.db2.gz PSPILKIPAXRAIC-UHFFFAOYSA-N 0 0 397.460 3.554 50 5 GHBARN Cc1ccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000020899664 204743879 /nfs/dbraw/zinc/74/38/79/204743879.db2.gz OJUXKYWWQWBXOK-UHFFFAOYSA-N 0 0 385.401 3.959 50 5 GHBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383578 204805951 /nfs/dbraw/zinc/80/59/51/204805951.db2.gz STNCERGPGSKZQH-OAQYLSRUSA-N 0 0 395.459 3.755 50 5 GHBARN CS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000022957028 204793538 /nfs/dbraw/zinc/79/35/38/204793538.db2.gz XVPHLMYYIJTCGD-UHFFFAOYSA-N 0 0 375.431 3.540 50 5 GHBARN Cc1nc(-c2ccc(CC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000040073811 204868850 /nfs/dbraw/zinc/86/88/50/204868850.db2.gz GSFGIZBUZMZQSR-UHFFFAOYSA-N 0 0 396.472 3.798 50 5 GHBARN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040149278 204884350 /nfs/dbraw/zinc/88/43/50/204884350.db2.gz XBRPZNHAISPXOR-UHFFFAOYSA-N 0 0 381.392 3.962 50 5 GHBARN Cc1cc(NCCCN2CCCCCC2=O)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040153411 205059294 /nfs/dbraw/zinc/05/92/94/205059294.db2.gz BAJUUCMQHZVWBG-UHFFFAOYSA-N 0 0 383.452 3.565 50 5 GHBARN O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000058358182 205173882 /nfs/dbraw/zinc/17/38/82/205173882.db2.gz XQDDSXCTRRCMET-KRWDZBQOSA-N 0 0 379.819 3.873 50 5 GHBARN O=C(NCc1ccc(C(F)(F)F)cc1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329398 205326588 /nfs/dbraw/zinc/32/65/88/205326588.db2.gz UCBXCJCDLTZOHT-UHFFFAOYSA-N 0 0 390.321 3.934 50 5 GHBARN O=[N+]([O-])c1cccc(C2=Nc3ncnn3[C@H](c3ccccc3OC(F)F)C2)c1 ZINC000101189379 205617452 /nfs/dbraw/zinc/61/74/52/205617452.db2.gz IFNIUVZOVFVIQM-HNNXBMFYSA-N 0 0 385.330 3.844 50 5 GHBARN CNC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000004281772 205741790 /nfs/dbraw/zinc/74/17/90/205741790.db2.gz DECKYTFCNJSLCL-UHFFFAOYSA-N 0 0 378.409 3.620 50 5 GHBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1cccc(F)c1 ZINC000005107888 205759569 /nfs/dbraw/zinc/75/95/69/205759569.db2.gz CVAUZYLCDHFLGL-UHFFFAOYSA-N 0 0 384.392 3.922 50 5 GHBARN CNC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000012748549 205878339 /nfs/dbraw/zinc/87/83/39/205878339.db2.gz LUKIDFOVSLDXAC-UHFFFAOYSA-N 0 0 390.399 3.950 50 5 GHBARN O=C(c1cc2ccccc2c2cccnc12)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000225407449 206046463 /nfs/dbraw/zinc/04/64/63/206046463.db2.gz UZFIOZWOWQKVMW-UHFFFAOYSA-N 0 0 397.360 3.654 50 5 GHBARN CC(C)c1nc([C@H]2CCCN2C(=O)N2CCCc3c([N+](=O)[O-])cccc32)no1 ZINC000225508972 206053362 /nfs/dbraw/zinc/05/33/62/206053362.db2.gz XJDUCJCLJDGIGK-MRXNPFEDSA-N 0 0 385.424 3.811 50 5 GHBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)c1 ZINC000000942633 220469997 /nfs/dbraw/zinc/46/99/97/220469997.db2.gz FYGAWHGXQNVMCA-UHFFFAOYSA-N 0 0 379.210 3.992 50 5 GHBARN CCc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000048326099 570236497 /nfs/dbraw/zinc/23/64/97/570236497.db2.gz WWKFKCCVPUUOQY-IBGZPJMESA-N 0 0 376.478 3.974 50 5 GHBARN Cc1cc(C)n(-c2ccccc2NC(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000048373962 570248754 /nfs/dbraw/zinc/24/87/54/570248754.db2.gz QOZQEILOLPWLNN-UHFFFAOYSA-N 0 0 394.435 3.631 50 5 GHBARN O=C1OC2(c3cc([N+](=O)[O-])ccc31)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000100073041 570256250 /nfs/dbraw/zinc/25/62/50/570256250.db2.gz GYWGQAIDMYGOLU-UHFFFAOYSA-N 0 0 377.308 3.574 50 5 GHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c1C ZINC000012853170 570266917 /nfs/dbraw/zinc/26/69/17/570266917.db2.gz QOCXAGAWGXGXAS-OAHLLOKOSA-N 0 0 378.475 3.727 50 5 GHBARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014085325 570287352 /nfs/dbraw/zinc/28/73/52/570287352.db2.gz VUSMRMYTXMOBAP-GFCCVEGCSA-N 0 0 389.481 3.955 50 5 GHBARN Cc1cc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000024832072 570310329 /nfs/dbraw/zinc/31/03/29/570310329.db2.gz YMCABFCGOSUYNW-UHFFFAOYSA-N 0 0 395.459 3.625 50 5 GHBARN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000004840094 570312208 /nfs/dbraw/zinc/31/22/08/570312208.db2.gz JUUCAKVMBDCRJT-UHFFFAOYSA-N 0 0 386.379 3.764 50 5 GHBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1O ZINC000000754579 570313261 /nfs/dbraw/zinc/31/32/61/570313261.db2.gz JDADADLFGLSIRG-UHFFFAOYSA-N 0 0 376.324 3.893 50 5 GHBARN O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccncc21 ZINC000023381283 570322510 /nfs/dbraw/zinc/32/25/10/570322510.db2.gz OLRVDSJUUUYGGO-NRFANRHFSA-N 0 0 396.422 3.768 50 5 GHBARN Cc1noc(C)c1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000023823912 570333158 /nfs/dbraw/zinc/33/31/58/570333158.db2.gz BKSSKHSPYMNVKS-UHFFFAOYSA-N 0 0 384.358 3.541 50 5 GHBARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000053836211 570381628 /nfs/dbraw/zinc/38/16/28/570381628.db2.gz JEMFRSGCSYYFOD-UHFFFAOYSA-N 0 0 387.783 3.579 50 5 GHBARN Cc1ccc2c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1C ZINC000016564647 570447431 /nfs/dbraw/zinc/44/74/31/570447431.db2.gz KAKUTKDDZAGQCE-UHFFFAOYSA-N 0 0 393.443 3.640 50 5 GHBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccco2)cc1 ZINC000002341443 570476426 /nfs/dbraw/zinc/47/64/26/570476426.db2.gz VJQYBYDYRCOOAO-UHFFFAOYSA-N 0 0 397.434 3.865 50 5 GHBARN O=c1ccc(-c2ccc(Br)cc2)nn1Cc1cccc([N+](=O)[O-])c1 ZINC000005398099 570581309 /nfs/dbraw/zinc/58/13/09/570581309.db2.gz MYRLQZYQGZDLRZ-UHFFFAOYSA-N 0 0 386.205 3.629 50 5 GHBARN O=C1N[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000005584258 570661690 /nfs/dbraw/zinc/66/16/90/570661690.db2.gz HTYSAXLMIYKFSC-NRFANRHFSA-N 0 0 376.368 3.995 50 5 GHBARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000858344 570662631 /nfs/dbraw/zinc/66/26/31/570662631.db2.gz JRIVQDYINCEWIF-IBGZPJMESA-N 0 0 379.372 3.547 50 5 GHBARN CC(=O)Nc1nc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cs1 ZINC000043768306 570678188 /nfs/dbraw/zinc/67/81/88/570678188.db2.gz YQRNMHMJJBTXAK-UHFFFAOYSA-N 0 0 394.408 3.718 50 5 GHBARN Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000940146 570731874 /nfs/dbraw/zinc/73/18/74/570731874.db2.gz YFIIVPUMBPVITM-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1Cl ZINC000001023888 570746673 /nfs/dbraw/zinc/74/66/73/570746673.db2.gz NHLHJSPFWXNQDK-UHFFFAOYSA-N 0 0 393.783 3.536 50 5 GHBARN COc1ccc(N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000001078273 570750543 /nfs/dbraw/zinc/75/05/43/570750543.db2.gz ZNZBLRMVIOIMQO-OAHLLOKOSA-N 0 0 394.431 3.903 50 5 GHBARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001081655 570751220 /nfs/dbraw/zinc/75/12/20/570751220.db2.gz RZQNCXHKPPGNDX-UHFFFAOYSA-N 0 0 389.411 3.820 50 5 biogenic GHBARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001148031 570755600 /nfs/dbraw/zinc/75/56/00/570755600.db2.gz XJZAOHQXRRJUJK-UHFFFAOYSA-N 0 0 389.411 3.820 50 5 GHBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032724212 570768986 /nfs/dbraw/zinc/76/89/86/570768986.db2.gz VEJDNIRJSFUGGT-LLVKDONJSA-N 0 0 396.355 3.541 50 5 GHBARN O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001216151 570795552 /nfs/dbraw/zinc/79/55/52/570795552.db2.gz KCRABKSEFJKVQL-UHFFFAOYSA-N 0 0 378.384 3.755 50 5 GHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000025610869 570804061 /nfs/dbraw/zinc/80/40/61/570804061.db2.gz ZTAZUVPCLOFGMW-UHFFFAOYSA-N 0 0 396.359 3.664 50 5 GHBARN COC(=O)c1ccc(O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000022223414 570810614 /nfs/dbraw/zinc/81/06/14/570810614.db2.gz CVIQEQBTBYQHKX-CSNVJCEJSA-N 0 0 387.432 3.934 50 5 GHBARN Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC000004505534 570817981 /nfs/dbraw/zinc/81/79/81/570817981.db2.gz UQXAHRKDIKITQZ-UHFFFAOYSA-N 0 0 380.400 3.543 50 5 GHBARN Cc1ccc([C@@H]2CCCN2c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000032829502 570844286 /nfs/dbraw/zinc/84/42/86/570844286.db2.gz YEMOZNNOFPUEHK-IBGZPJMESA-N 0 0 395.459 3.717 50 5 GHBARN CC1CCN(c2ccc(C(=O)OCc3nccn3C(F)F)cc2[N+](=O)[O-])CC1 ZINC000032853944 570854515 /nfs/dbraw/zinc/85/45/15/570854515.db2.gz JWIHWPJZEVSRTB-UHFFFAOYSA-N 0 0 394.378 3.780 50 5 GHBARN CC(=O)Nc1cccc([C@@H](C)OC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000097096143 570892083 /nfs/dbraw/zinc/89/20/83/570892083.db2.gz ARXFLLAYWXUUJS-GFCCVEGCSA-N 0 0 394.387 3.861 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCSc2ccc(Cl)cc21 ZINC000016709613 570907398 /nfs/dbraw/zinc/90/73/98/570907398.db2.gz DKLXGSQGLVCBEO-ZDUSSCGKSA-N 0 0 378.837 3.980 50 5 GHBARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032908129 570908787 /nfs/dbraw/zinc/90/87/87/570908787.db2.gz PBNPYSXUEASDDK-UHFFFAOYSA-N 0 0 386.433 3.504 50 5 GHBARN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004032559 570918311 /nfs/dbraw/zinc/91/83/11/570918311.db2.gz FYZFGLOKPDTMLB-UHFFFAOYSA-N 0 0 384.417 3.520 50 5 GHBARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000017077495 570926198 /nfs/dbraw/zinc/92/61/98/570926198.db2.gz QIWHDXIPFMGRJY-CYBMUJFWSA-N 0 0 378.812 3.612 50 5 GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000007594351 570961242 /nfs/dbraw/zinc/96/12/42/570961242.db2.gz WVTINNMDCUDDNF-UHFFFAOYSA-N 0 0 383.791 3.711 50 5 GHBARN CCOC(=O)[C@H](C)On1c2cc([N+](=O)[O-])ccc2nc1-c1ccc(Cl)cc1 ZINC000001389395 570973436 /nfs/dbraw/zinc/97/34/36/570973436.db2.gz XXZFOYHDEVYSHL-NSHDSACASA-N 0 0 389.795 3.645 50 5 GHBARN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000012747209 570990374 /nfs/dbraw/zinc/99/03/74/570990374.db2.gz AARCRSVAFOCOAU-INIZCTEOSA-N 0 0 382.247 3.934 50 5 GHBARN CNc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1[N+](=O)[O-] ZINC000054702538 570997629 /nfs/dbraw/zinc/99/76/29/570997629.db2.gz JSNBEEPNTZVQCP-IBGZPJMESA-N 0 0 375.388 3.803 50 5 GHBARN CCNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000015538772 571014608 /nfs/dbraw/zinc/01/46/08/571014608.db2.gz QBPKUARBEJFZRJ-KRWDZBQOSA-N 0 0 397.431 3.775 50 5 GHBARN CC(C)(C)OC(=O)[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000098052994 838563620 /nfs/dbraw/zinc/56/36/20/838563620.db2.gz ARDBSHWIAFYOEK-HSNDNRACSA-N 0 0 382.416 3.807 50 5 GHBARN COc1cc(/C=C/C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000002534638 861271734 /nfs/dbraw/zinc/27/17/34/861271734.db2.gz ABQYTMRJZNRGDQ-VMPITWQZSA-N 0 0 376.796 3.595 50 5 GHBARN O=C(NCc1cccnc1OCC(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000079020655 842644403 /nfs/dbraw/zinc/64/44/03/842644403.db2.gz YIVMQXRAQMXFJN-UHFFFAOYSA-N 0 0 389.717 3.514 50 5 GHBARN O=[N+]([O-])c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 ZINC000003140682 862216198 /nfs/dbraw/zinc/21/61/98/862216198.db2.gz YQSXDCRHQJXHRY-UHFFFAOYSA-N 0 0 378.388 3.681 50 5 GHBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])o1)C[C@@H](C)CC2 ZINC000003372423 862370648 /nfs/dbraw/zinc/37/06/48/862370648.db2.gz CZGFMWAIUALEMQ-VIFPVBQESA-N 0 0 378.406 3.803 50 5 GHBARN Cc1c(NC(=O)CSc2n[nH]c(-c3ccccc3F)n2)cccc1[N+](=O)[O-] ZINC000008548506 856257209 /nfs/dbraw/zinc/25/72/09/856257209.db2.gz KRJBKKXFIMTBAP-UHFFFAOYSA-N 0 0 387.396 3.558 50 5 GHBARN CCOc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000004120653 862811620 /nfs/dbraw/zinc/81/16/20/862811620.db2.gz CUROMNVLHBJAQU-UHFFFAOYSA-N 0 0 385.445 3.739 50 5 GHBARN COc1ccc(N(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000027795701 858223477 /nfs/dbraw/zinc/22/34/77/858223477.db2.gz ATCRNQAELDNULE-UHFFFAOYSA-N 0 0 382.372 3.809 50 5 GHBARN O=c1c2ccc[nH]c-2c(Nc2ccccc2[N+](=O)[O-])n1Cc1ccc(F)cc1 ZINC000021104597 860713726 /nfs/dbraw/zinc/71/37/26/860713726.db2.gz AYZBGXNTUOOIIE-IBGZPJMESA-N 0 0 378.363 3.896 50 5 GHBARN O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000033725496 885300176 /nfs/dbraw/zinc/30/01/76/885300176.db2.gz CHXTWULCCZKIBF-DAXSKMNVSA-N 0 0 379.275 3.756 50 5 GHBARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000095465117 913484204 /nfs/dbraw/zinc/48/42/04/913484204.db2.gz MSNGQISFANEPDJ-UHFFFAOYSA-N 0 0 382.323 3.548 50 5 GHBARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000040145475 895167222 /nfs/dbraw/zinc/16/72/22/895167222.db2.gz FMDKETMEXVRWQU-MDZDMXLPSA-N 0 0 390.399 3.559 50 5 GHBARN CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 ZINC000040154947 895178304 /nfs/dbraw/zinc/17/83/04/895178304.db2.gz OISGPGMCEJKEBH-XMHGGMMESA-N 0 0 377.400 3.943 50 5 GHBARN CNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012791901 899010458 /nfs/dbraw/zinc/01/04/58/899010458.db2.gz QKARGGOCPOBPIU-QGZVFWFLSA-N 0 0 397.431 3.775 50 5 GHBARN Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1[N+](=O)[O-] ZINC000012943654 899041260 /nfs/dbraw/zinc/04/12/60/899041260.db2.gz IWPCZAPAKOJYLU-UHFFFAOYSA-N 0 0 398.444 3.602 50 5 GHBARN COc1ccc(-n2c3ccccc3nc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000028186587 900368681 /nfs/dbraw/zinc/36/86/81/900368681.db2.gz UQPAUPBJIMQPPU-UHFFFAOYSA-N 0 0 377.404 3.804 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C\c1cc(F)cc2c1OCOC2 ZINC000096925716 915200312 /nfs/dbraw/zinc/20/03/12/915200312.db2.gz QCXXENJKRJBHCZ-FWWRYZNZSA-N 0 0 386.379 3.833 50 5 GHBARN Cc1ccc([C@@H](NC(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1 ZINC000096931495 915218693 /nfs/dbraw/zinc/21/86/93/915218693.db2.gz ZVFKKCPPWXMVMO-HEDKFQSOSA-N 0 0 380.400 3.913 50 5 GHBARN CCCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097674676 915785444 /nfs/dbraw/zinc/78/54/44/915785444.db2.gz FBRLWHKSGZEARX-LENZSSGSSA-N 0 0 382.416 3.687 50 5 GHBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(Cl)cc1F ZINC000097998622 1021161210 /nfs/dbraw/zinc/16/12/10/1021161210.db2.gz UPHIEWUUKIGFKK-RJRFIUFISA-N 0 0 378.743 3.906 50 5 GHBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000839036 203858799 /nfs/dbraw/zinc/85/87/99/203858799.db2.gz SOXJMOUHQVCMFR-MDZDMXLPSA-N 0 0 386.429 3.974 50 5 GHBARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001215877 203898242 /nfs/dbraw/zinc/89/82/42/203898242.db2.gz GAKJKOLPBDQWIQ-UHFFFAOYSA-N 0 0 396.230 3.991 50 5 GHBARN CCc1c(C)sc2ncn3nc([C@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c12 ZINC000002809025 203965590 /nfs/dbraw/zinc/96/55/90/203965590.db2.gz MVVKVZCQVMRMKH-JTQLQIEISA-N 0 0 385.453 3.541 50 5 GHBARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003513822 204011332 /nfs/dbraw/zinc/01/13/32/204011332.db2.gz ZMUTZEZWDVDZCE-UHFFFAOYSA-N 0 0 385.763 3.592 50 5 GHBARN O=C1NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000004698976 204065521 /nfs/dbraw/zinc/06/55/21/204065521.db2.gz QQAPUEBVWSGAMA-VBKFSLOCSA-N 0 0 375.340 3.952 50 5 GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc2ccccc2oc1=O ZINC000004803541 204077203 /nfs/dbraw/zinc/07/72/03/204077203.db2.gz VAUBSMVFXKIFPH-UHFFFAOYSA-N 0 0 378.262 3.972 50 5 GHBARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004846821 204082475 /nfs/dbraw/zinc/08/24/75/204082475.db2.gz UQEWPQAFEHHKLC-UHFFFAOYSA-N 0 0 394.358 3.982 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCCC1 ZINC000004895820 204088258 /nfs/dbraw/zinc/08/82/58/204088258.db2.gz SEQVBTAVTPXHBZ-UHFFFAOYSA-N 0 0 375.812 3.866 50 5 GHBARN O=C(c1ccccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004543450 204051117 /nfs/dbraw/zinc/05/11/17/204051117.db2.gz JFZFRIGKZANZJG-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004961469 204097488 /nfs/dbraw/zinc/09/74/88/204097488.db2.gz JTNKQKQBUBUWOF-UHFFFAOYSA-N 0 0 397.456 3.863 50 5 GHBARN O=C(Cn1c(=O)sc2cccc(Cl)c21)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005716562 204148233 /nfs/dbraw/zinc/14/82/33/204148233.db2.gz NHFWYCJZWHHNHY-UHFFFAOYSA-N 0 0 399.211 3.884 50 5 GHBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000005852283 204154526 /nfs/dbraw/zinc/15/45/26/204154526.db2.gz UUINLLDYCFWQFS-NEPJUHHUSA-N 0 0 388.807 3.771 50 5 GHBARN O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1cc([N+](=O)[O-])ccc1F ZINC000006086665 204163911 /nfs/dbraw/zinc/16/39/11/204163911.db2.gz KJEMJJFASPBARE-MRXNPFEDSA-N 0 0 399.407 3.840 50 5 GHBARN COc1cc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)c(C)cc1[N+](=O)[O-] ZINC000005388599 204129452 /nfs/dbraw/zinc/12/94/52/204129452.db2.gz LWVXWGFPAUTRAF-QGZVFWFLSA-N 0 0 396.403 3.778 50 5 GHBARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000005687980 204145489 /nfs/dbraw/zinc/14/54/89/204145489.db2.gz RRCPTISPVHFQBJ-UHFFFAOYSA-N 0 0 397.431 3.634 50 5 aggregator GHBARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007141131 204233272 /nfs/dbraw/zinc/23/32/72/204233272.db2.gz ACZFODDDNBYDMN-UHFFFAOYSA-N 0 0 394.258 3.793 50 5 GHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000007949439 204255602 /nfs/dbraw/zinc/25/56/02/204255602.db2.gz RZSNMKYYZOZDKW-GFCCVEGCSA-N 0 0 386.433 3.859 50 5 GHBARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)cc2c1 ZINC000009234892 204303427 /nfs/dbraw/zinc/30/34/27/204303427.db2.gz DERALQXGXOYZSP-UHFFFAOYSA-N 0 0 379.416 3.796 50 5 GHBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000009356951 204308829 /nfs/dbraw/zinc/30/88/29/204308829.db2.gz TUJSLHKVEYVDNL-STQMWFEESA-N 0 0 386.456 3.592 50 5 GHBARN COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009764313 204323147 /nfs/dbraw/zinc/32/31/47/204323147.db2.gz RJKRDDWUAWLICG-UHFFFAOYSA-N 0 0 396.399 3.804 50 5 GHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000011360241 204345889 /nfs/dbraw/zinc/34/58/89/204345889.db2.gz KSOMCTNRQQJXCI-UHFFFAOYSA-N 0 0 392.795 3.735 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000014207144 204528599 /nfs/dbraw/zinc/52/85/99/204528599.db2.gz WZQIYLQGHVYICQ-UHFFFAOYSA-N 0 0 380.379 3.969 50 5 GHBARN Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)c(=O)[nH]c2c1 ZINC000013769219 204513432 /nfs/dbraw/zinc/51/34/32/204513432.db2.gz ILGNZABRKZRJMP-UHFFFAOYSA-N 0 0 379.416 3.796 50 5 GHBARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000033133175 204948039 /nfs/dbraw/zinc/94/80/39/204948039.db2.gz ZMXJNFHEMILPCC-GFCCVEGCSA-N 0 0 398.202 3.738 50 5 GHBARN CCn1c(=O)c2sccc2nc1SCCOc1cccc([N+](=O)[O-])c1 ZINC000040127891 205055274 /nfs/dbraw/zinc/05/52/74/205055274.db2.gz HMPMDOYUSCHZJO-UHFFFAOYSA-N 0 0 377.447 3.557 50 5 GHBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(OCc2ccccc2)CC1 ZINC000048321648 205119846 /nfs/dbraw/zinc/11/98/46/205119846.db2.gz AWZZFKUWKRSOOM-UHFFFAOYSA-N 0 0 379.416 3.898 50 5 GHBARN O=[N+]([O-])c1c(F)cccc1NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000058358181 205173615 /nfs/dbraw/zinc/17/36/15/205173615.db2.gz XQDDSXCTRRCMET-QGZVFWFLSA-N 0 0 379.819 3.873 50 5 GHBARN O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCCCCC1 ZINC000058415238 205175204 /nfs/dbraw/zinc/17/52/04/205175204.db2.gz QSISKRLKVOMMGK-UHFFFAOYSA-N 0 0 388.205 3.606 50 5 GHBARN O=C(Nc1cccc(Cl)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270696 205766055 /nfs/dbraw/zinc/76/60/55/205766055.db2.gz MXGHYHNABITAFZ-UHFFFAOYSA-N 0 0 383.791 3.711 50 5 GHBARN CCn1ccnc1[C@@H]1CCCCN1C(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000225489931 206051427 /nfs/dbraw/zinc/05/14/27/206051427.db2.gz QZKGFUYTALJMBE-SFHVURJKSA-N 0 0 385.468 3.757 50 5 GHBARN CC(C)[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000225548708 206057071 /nfs/dbraw/zinc/05/70/71/206057071.db2.gz LTAHZKZDRBCZHB-NSHDSACASA-N 0 0 398.282 3.983 50 5 GHBARN CC1(C)Cc2cccc(OCCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2O1 ZINC000032050565 206088956 /nfs/dbraw/zinc/08/89/56/206088956.db2.gz GMMLOFNXEXXBJU-UHFFFAOYSA-N 0 0 390.823 3.771 50 5 GHBARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000033456472 206099132 /nfs/dbraw/zinc/09/91/32/206099132.db2.gz GKFSWHJEVXWQHN-ZVTBTPLYSA-N 0 0 399.472 3.922 50 5 GHBARN CC(C)NC(=O)c1ccc(N(C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000032869657 206094597 /nfs/dbraw/zinc/09/45/97/206094597.db2.gz XVGIQIULLSYJJS-UHFFFAOYSA-N 0 0 391.855 3.902 50 5 GHBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000024289992 221611843 /nfs/dbraw/zinc/61/18/43/221611843.db2.gz NUOUSKAYXGUCSC-UHFFFAOYSA-N 0 0 382.420 3.552 50 5 GHBARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005427328 521444659 /nfs/dbraw/zinc/44/46/59/521444659.db2.gz UINCDGDCVZZQKA-UHFFFAOYSA-N 0 0 386.795 3.961 50 5 GHBARN O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(Cc2ccccc2)CC1 ZINC000019799597 570220359 /nfs/dbraw/zinc/22/03/59/570220359.db2.gz JUTBXKZNDHYOPS-UHFFFAOYSA-N 0 0 398.462 3.904 50 5 GHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000006052532 570229172 /nfs/dbraw/zinc/22/91/72/570229172.db2.gz OMYRLEGVZWJXHF-IBGZPJMESA-N 0 0 394.431 3.985 50 5 GHBARN O=C(NCc1ccccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012825740 570262209 /nfs/dbraw/zinc/26/22/09/570262209.db2.gz SEWHHKUXIZDGJZ-UHFFFAOYSA-N 0 0 391.374 3.726 50 5 GHBARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O ZINC000000651279 570280982 /nfs/dbraw/zinc/28/09/82/570280982.db2.gz SQTUEUUPTKVKTM-UHFFFAOYSA-N 0 0 395.440 3.907 50 5 GHBARN COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000012925651 570296373 /nfs/dbraw/zinc/29/63/73/570296373.db2.gz OLQYFXXQVRDNPF-HNNXBMFYSA-N 0 0 377.784 3.674 50 5 GHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccnc1)C1CC1 ZINC000028517803 570461028 /nfs/dbraw/zinc/46/10/28/570461028.db2.gz RIODCUMUUSESJQ-UHFFFAOYSA-N 0 0 383.451 3.741 50 5 GHBARN COc1ccc(-c2nc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cs2)cc1 ZINC000016657144 570464541 /nfs/dbraw/zinc/46/45/41/570464541.db2.gz JLBQZGOYBYADCN-UHFFFAOYSA-N 0 0 395.396 3.523 50 5 GHBARN O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=S)N1C[C@H]1CCCO1 ZINC000006828939 570627114 /nfs/dbraw/zinc/62/71/14/570627114.db2.gz ZGCJNLPBCLWUBG-VGVSSDJJSA-N 0 0 399.428 3.503 50 5 GHBARN CC(C)(C)OC(=O)n1cc(I)c2c1cccc2[N+](=O)[O-] ZINC000169725909 570635225 /nfs/dbraw/zinc/63/52/25/570635225.db2.gz JEONRGIOYRJXGB-UHFFFAOYSA-N 0 0 388.161 3.937 50 5 GHBARN CCOC(=O)C1=C(C)n2c3ccccc3nc2N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000013839089 570699725 /nfs/dbraw/zinc/69/97/25/570699725.db2.gz WBDZUOVIKQIGJL-GOSISDBHSA-N 0 0 378.388 3.905 50 5 GHBARN Cc1nn(C)c(NCc2csc(Cc3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000585139176 570711959 /nfs/dbraw/zinc/71/19/59/570711959.db2.gz GMAIQEXEHLAEHC-UHFFFAOYSA-N 0 0 377.857 3.950 50 5 GHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1I ZINC000001136368 570756457 /nfs/dbraw/zinc/75/64/57/570756457.db2.gz OQGCWGVFJYGFCX-UHFFFAOYSA-N 0 0 383.141 3.556 50 5 GHBARN Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000001134319 570756531 /nfs/dbraw/zinc/75/65/31/570756531.db2.gz AKFVSSJKYYFAJH-UHFFFAOYSA-N 0 0 384.461 3.630 50 5 aggregator GHBARN Cc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000001134012 570756594 /nfs/dbraw/zinc/75/65/94/570756594.db2.gz GFMCQBPQKHGFRW-UHFFFAOYSA-N 0 0 384.461 3.630 50 5 GHBARN Cc1cc2c(c(=O)n1C)[C@@H](c1cc3cc4ccccc4cc3[nH]c1=O)CC(=O)O2 ZINC000524732784 570767739 /nfs/dbraw/zinc/76/77/39/570767739.db2.gz NSLWZKYJQFXICV-MRXNPFEDSA-N 0 0 386.407 3.542 50 5 GHBARN COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000001204028 570793648 /nfs/dbraw/zinc/79/36/48/570793648.db2.gz JPRHEPOMFKNYQP-UHFFFAOYSA-N 0 0 389.371 3.590 50 5 GHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCCCC1 ZINC000024392020 570795418 /nfs/dbraw/zinc/79/54/18/570795418.db2.gz DCEVTURWZNQMAQ-UHFFFAOYSA-N 0 0 396.491 3.923 50 5 GHBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccco1 ZINC000103070167 570875200 /nfs/dbraw/zinc/87/52/00/570875200.db2.gz ODRTYCJIICUJMY-UHFFFAOYSA-N 0 0 384.392 3.723 50 5 GHBARN COc1ccccc1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024483545 570877751 /nfs/dbraw/zinc/87/77/51/570877751.db2.gz ZXIWCRHZTLVZEY-LPHOPBHVSA-N 0 0 381.432 3.773 50 5 GHBARN CCOc1ccc(-c2nn3c(SCC)nc4ccccc4c3nc2=O)cc1 ZINC000089991201 570923642 /nfs/dbraw/zinc/92/36/42/570923642.db2.gz URPKLOHEOBUDPZ-UHFFFAOYSA-N 0 0 378.457 3.815 50 5 GHBARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000015365092 570927191 /nfs/dbraw/zinc/92/71/91/570927191.db2.gz FGLIRIZENUWQPU-QGZVFWFLSA-N 0 0 390.461 3.909 50 5 GHBARN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000170637333 570937198 /nfs/dbraw/zinc/93/71/98/570937198.db2.gz QXUGOFGLTWMKTA-QZTJIDSGSA-N 0 0 396.509 3.570 50 5 GHBARN CC(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000012761459 571012324 /nfs/dbraw/zinc/01/23/24/571012324.db2.gz USQQEUPBEOCZDB-QGZVFWFLSA-N 0 0 388.449 3.684 50 5 GHBARN C[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000084651680 571029425 /nfs/dbraw/zinc/02/94/25/571029425.db2.gz VVCLKGMJTSQCFE-RSNKEIGGSA-N 0 0 383.372 3.749 50 5 GHBARN C[C@H](c1ccc(F)cc1F)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000084651683 571029494 /nfs/dbraw/zinc/02/94/94/571029494.db2.gz VVCLKGMJTSQCFE-SKVICXGVSA-N 0 0 383.372 3.749 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000078992182 841320123 /nfs/dbraw/zinc/32/01/23/841320123.db2.gz WMUJDOLEKVKRGM-RHSMWYFYSA-N 0 0 391.468 3.669 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccc(OC(F)F)c(OC)c1 ZINC000097987632 841960047 /nfs/dbraw/zinc/96/00/47/841960047.db2.gz VAUDEURTTMJAJZ-YWEYNIOJSA-N 0 0 394.330 3.865 50 5 GHBARN Cc1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2C)c1 ZINC000002649982 861468541 /nfs/dbraw/zinc/46/85/41/861468541.db2.gz IDCXRIALZSPEEW-UHFFFAOYSA-N 0 0 398.444 3.858 50 5 GHBARN CC(=O)Oc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000002945625 861817855 /nfs/dbraw/zinc/81/78/55/861817855.db2.gz UJIDMJQKHPNQPR-LZYBPNLTSA-N 0 0 386.747 3.518 50 5 GHBARN COc1ccc(F)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000040111337 856667180 /nfs/dbraw/zinc/66/71/80/856667180.db2.gz LOSCYLMWKRDCRW-UHFFFAOYSA-N 0 0 388.380 3.822 50 5 GHBARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1c([N+](=O)[O-])ncn1C ZINC000040155552 856686185 /nfs/dbraw/zinc/68/61/85/856686185.db2.gz YMJMCHYGRMTDRI-UHFFFAOYSA-N 0 0 386.431 3.707 50 5 GHBARN CN(c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000245343729 856810552 /nfs/dbraw/zinc/81/05/52/856810552.db2.gz XYVPSUSQSFRGOC-IAGOWNOFSA-N 0 0 383.448 3.819 50 5 GHBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343029 856811009 /nfs/dbraw/zinc/81/10/09/856811009.db2.gz CLGJXAVTTMWJIY-JHNDHUHGSA-N 0 0 385.464 3.757 50 5 GHBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2c2ccccc21 ZINC000013302400 859868681 /nfs/dbraw/zinc/86/86/81/859868681.db2.gz KMZITOSZKDEXQG-JQBYJRRVSA-N 0 0 396.402 3.991 50 5 GHBARN Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000020899679 860669079 /nfs/dbraw/zinc/66/90/79/860669079.db2.gz HVZLWJKWBNGNPP-UHFFFAOYSA-N 0 0 385.401 3.959 50 5 GHBARN COc1cccc(-c2noc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000096277949 860836471 /nfs/dbraw/zinc/83/64/71/860836471.db2.gz LZHMZWWQPIHUOP-KRWDZBQOSA-N 0 0 396.403 3.781 50 5 GHBARN CC(C)(C)c1ccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000019834452 900024765 /nfs/dbraw/zinc/02/47/65/900024765.db2.gz GWJKKGILVQFIAD-UHFFFAOYSA-N 0 0 382.464 3.640 50 5 GHBARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020649952 900176399 /nfs/dbraw/zinc/17/63/99/900176399.db2.gz LRWHQAMMWRISSW-NSHDSACASA-N 0 0 378.791 3.637 50 5 GHBARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006421200 916960773 /nfs/dbraw/zinc/96/07/73/916960773.db2.gz LPUXDUMMURGQDG-RUDMXATFSA-N 0 0 394.305 3.809 50 5 GHBARN COc1cc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)ccc1O ZINC000263586620 231043969 /nfs/dbraw/zinc/04/39/69/231043969.db2.gz WFGSZYGJTIEBDM-UHFFFAOYSA-N 0 0 377.356 3.660 50 5 biogenic GHBARN NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000001037924 203875554 /nfs/dbraw/zinc/87/55/54/203875554.db2.gz YMIHDGCMWHNRHC-UHFFFAOYSA-N 0 0 397.623 3.995 50 5 GHBARN Cc1ccc(CCNC(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)cc1 ZINC000002957432 203977344 /nfs/dbraw/zinc/97/73/44/203977344.db2.gz HRIMUXUVPKYECH-UHFFFAOYSA-N 0 0 391.858 3.782 50 5 GHBARN COc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000002979455 203979259 /nfs/dbraw/zinc/97/92/59/203979259.db2.gz XWKNDIXWWPFKGR-UHFFFAOYSA-N 0 0 399.350 3.749 50 5 GHBARN O=C(OCc1ccccc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003127009 203986549 /nfs/dbraw/zinc/98/65/49/203986549.db2.gz CIJWTVQRDVHOMF-UHFFFAOYSA-N 0 0 381.138 3.623 50 5 GHBARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004205914 204033244 /nfs/dbraw/zinc/03/32/44/204033244.db2.gz PZBQESCHBWMRFT-DYESRHJHSA-N 0 0 379.416 3.863 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000004706729 204066793 /nfs/dbraw/zinc/06/67/93/204066793.db2.gz GGLRCZGUHMVLHY-UHFFFAOYSA-N 0 0 381.413 3.883 50 5 GHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 ZINC000004797363 204076407 /nfs/dbraw/zinc/07/64/07/204076407.db2.gz ZZKMBLQYNJWGHG-UHFFFAOYSA-N 0 0 378.344 3.745 50 5 GHBARN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(C)cc1 ZINC000004881420 204086226 /nfs/dbraw/zinc/08/62/26/204086226.db2.gz OTRSCCZKMSCEEL-UHFFFAOYSA-N 0 0 381.230 3.590 50 5 GHBARN Cc1ccc(C)c(N2CCN(C(=O)CSc3ccsc3[N+](=O)[O-])CC2)c1 ZINC000004909193 204090457 /nfs/dbraw/zinc/09/04/57/204090457.db2.gz IXIZMIGSFNYAEM-UHFFFAOYSA-N 0 0 391.518 3.714 50 5 aggregator GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)o1 ZINC000004427340 204045007 /nfs/dbraw/zinc/04/50/07/204045007.db2.gz YXXCSMFUZAULTK-UHFFFAOYSA-N 0 0 389.987 3.965 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000004599992 204056893 /nfs/dbraw/zinc/05/68/93/204056893.db2.gz JVZWZRTVVSJKOJ-UHFFFAOYSA-N 0 0 389.433 3.517 50 5 GHBARN O=C1NC(C(F)(F)F)(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N21 ZINC000004602708 204057450 /nfs/dbraw/zinc/05/74/50/204057450.db2.gz GSFLSLAYBJPRKJ-UHFFFAOYSA-N 0 0 386.233 3.611 50 5 GHBARN Cc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000004616695 204057802 /nfs/dbraw/zinc/05/78/02/204057802.db2.gz BIJYOKRYXURUKH-UHFFFAOYSA-N 0 0 383.429 3.935 50 5 GHBARN CCC(=O)OCCNc1cc(SC2CCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000004677056 204062948 /nfs/dbraw/zinc/06/29/48/204062948.db2.gz VWZSOOFDYRPTPE-UHFFFAOYSA-N 0 0 394.453 3.921 50 5 GHBARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005206515 204119471 /nfs/dbraw/zinc/11/94/71/204119471.db2.gz WKXDFVLLOSCTIE-UHFFFAOYSA-N 0 0 388.807 3.935 50 5 GHBARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000005212784 204119827 /nfs/dbraw/zinc/11/98/27/204119827.db2.gz DEKOIJCTACGIQW-UHFFFAOYSA-N 0 0 386.458 3.819 50 5 GHBARN CCNc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000005267574 204122937 /nfs/dbraw/zinc/12/29/37/204122937.db2.gz BWSLSWREFXOOIR-AWEZNQCLSA-N 0 0 379.420 3.703 50 5 GHBARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000005276202 204123370 /nfs/dbraw/zinc/12/33/70/204123370.db2.gz FODMUZXEMOEGDM-OCVORMKJSA-N 0 0 387.436 3.591 50 5 GHBARN C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005310085 204124447 /nfs/dbraw/zinc/12/44/47/204124447.db2.gz WHYFRXZJPINWHF-MRVPVSSYSA-N 0 0 377.813 3.590 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004978794 204099668 /nfs/dbraw/zinc/09/96/68/204099668.db2.gz BOQVOCALHAGENX-IWUURBKTSA-N 0 0 378.494 3.786 50 5 GHBARN Cc1ccc(Nc2nc(N(C)Cc3ccccc3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005031388 204105064 /nfs/dbraw/zinc/10/50/64/204105064.db2.gz GIHQJYVNKDVFMV-UHFFFAOYSA-N 0 0 378.436 3.964 50 5 GHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005710618 204147383 /nfs/dbraw/zinc/14/73/83/204147383.db2.gz PJRJWHVSXWZWPY-OAHLLOKOSA-N 0 0 397.431 3.769 50 5 GHBARN Cc1ccc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000005700181 204147648 /nfs/dbraw/zinc/14/76/48/204147648.db2.gz JWIZIFCZVOIGKW-UHFFFAOYSA-N 0 0 398.293 3.597 50 5 GHBARN COc1ccc(NS(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005601766 204141557 /nfs/dbraw/zinc/14/15/57/204141557.db2.gz OIHUCMKXIXSMKW-UHFFFAOYSA-N 0 0 391.449 3.759 50 5 GHBARN C[C@@H](OC(=O)c1ccc2nccnc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007179993 204234841 /nfs/dbraw/zinc/23/48/41/204234841.db2.gz KYHIPOPICZWTHK-LLVKDONJSA-N 0 0 391.343 3.506 50 5 GHBARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007976482 204256338 /nfs/dbraw/zinc/25/63/38/204256338.db2.gz JKRSNAVZEGXGAL-VIFPVBQESA-N 0 0 375.435 3.561 50 5 GHBARN COc1ccc(C)cc1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008146567 204263101 /nfs/dbraw/zinc/26/31/01/204263101.db2.gz XONJCGSISZFIPF-UHFFFAOYSA-N 0 0 397.475 3.787 50 5 GHBARN COc1ccccc1Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000009489226 204312917 /nfs/dbraw/zinc/31/29/17/204312917.db2.gz DJRFTFWBPHYGBV-UHFFFAOYSA-N 0 0 384.417 3.606 50 5 GHBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000009691142 204321418 /nfs/dbraw/zinc/32/14/18/204321418.db2.gz KNZMPPOUCCAZIY-MRXNPFEDSA-N 0 0 397.456 3.776 50 5 GHBARN O=C(NCc1coc(-c2cccs2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000010874940 204338898 /nfs/dbraw/zinc/33/88/98/204338898.db2.gz CWVUWIRFWGGXJF-UHFFFAOYSA-N 0 0 398.444 3.842 50 5 GHBARN COc1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N)cs2)c1 ZINC000012609479 204430486 /nfs/dbraw/zinc/43/04/86/204430486.db2.gz GLROCAKMGLRUIZ-UHFFFAOYSA-N 0 0 385.401 3.666 50 5 GHBARN COc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012562396 204424405 /nfs/dbraw/zinc/42/44/05/204424405.db2.gz KYQVSZGSOVLBQO-HNNXBMFYSA-N 0 0 383.448 3.697 50 5 GHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012995865 204475148 /nfs/dbraw/zinc/47/51/48/204475148.db2.gz NIOOQNMZMWITEL-VMSUTVGLSA-N 0 0 380.400 3.743 50 5 GHBARN CCOc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2CCO)cc1 ZINC000015188757 204563101 /nfs/dbraw/zinc/56/31/01/204563101.db2.gz IYJFJGKIWGOLMY-VXPUYCOJSA-N 0 0 385.445 3.748 50 5 GHBARN O=C(CSc1nc2cc(Br)cnc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000018192332 204616452 /nfs/dbraw/zinc/61/64/52/204616452.db2.gz JTDUJCBLKYLXGY-UHFFFAOYSA-N 0 0 393.222 3.604 50 5 GHBARN COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)c1 ZINC000024483288 204821754 /nfs/dbraw/zinc/82/17/54/204821754.db2.gz IUPDTHUXNGINNN-QUCCMNQESA-N 0 0 381.432 3.773 50 5 GHBARN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1-c1ccccn1 ZINC000038829324 205039093 /nfs/dbraw/zinc/03/90/93/205039093.db2.gz KMUFTOGOIGBYNR-UHFFFAOYSA-N 0 0 386.455 3.991 50 5 GHBARN Cc1c(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000059010305 205178585 /nfs/dbraw/zinc/17/85/85/205178585.db2.gz KXSSQFQPXLRGHO-NRFANRHFSA-N 0 0 381.432 3.994 50 5 GHBARN CC(=O)N1N=C(c2cc(C)nc3ccccc32)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000064819829 205196670 /nfs/dbraw/zinc/19/66/70/205196670.db2.gz WVPPZGIZEXGENA-HXUWFJFHSA-N 0 0 376.372 3.691 50 5 GHBARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 ZINC000004225194 205741292 /nfs/dbraw/zinc/74/12/92/205741292.db2.gz DNSPNIUJEFKSMX-UHFFFAOYSA-N 0 0 399.834 3.679 50 5 GHBARN Cc1cccc(Cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2=O)c1 ZINC000007574122 205786039 /nfs/dbraw/zinc/78/60/39/205786039.db2.gz WUGMQYZHMCGYCJ-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000007532330 205787556 /nfs/dbraw/zinc/78/75/56/205787556.db2.gz CLRWCBGAOREYQG-KSSFIOAISA-N 0 0 382.416 3.642 50 5 GHBARN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000032816669 206092353 /nfs/dbraw/zinc/09/23/53/206092353.db2.gz HJPPRIFHELQZCS-NSHDSACASA-N 0 0 379.210 3.614 50 5 GHBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cscn1 ZINC000032796523 206092909 /nfs/dbraw/zinc/09/29/09/206092909.db2.gz VVUBCCVEIDQRJE-UHFFFAOYSA-N 0 0 385.401 3.891 50 5 GHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2c(s1)CCCC2 ZINC000045068037 206194759 /nfs/dbraw/zinc/19/47/59/206194759.db2.gz KTLOQYWTQODIKU-UHFFFAOYSA-N 0 0 390.446 3.802 50 5 GHBARN CSc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004889956 136194203 /nfs/dbraw/zinc/19/42/03/136194203.db2.gz VPXGOSNPXCNGAI-UHFFFAOYSA-N 0 0 388.445 3.510 50 5 GHBARN O=C(c1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005637412 136195001 /nfs/dbraw/zinc/19/50/01/136195001.db2.gz GWOWFEDGFULTBP-UHFFFAOYSA-N 0 0 385.367 3.638 50 5 GHBARN COc1ccc(OC)c(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c1 ZINC000001510019 570253784 /nfs/dbraw/zinc/25/37/84/570253784.db2.gz VABAZFIZGKZMBJ-NVNXTCNLSA-N 0 0 388.763 3.610 50 5 GHBARN CCOc1ccc([C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012879059 570275849 /nfs/dbraw/zinc/27/58/49/570275849.db2.gz LDSHFBDHIBXWTR-FQEVSTJZSA-N 0 0 383.448 3.793 50 5 GHBARN COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000000820028 570373236 /nfs/dbraw/zinc/37/32/36/570373236.db2.gz RJWIGKGDQWKLKL-UHFFFAOYSA-N 0 0 384.432 3.854 50 5 GHBARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 ZINC000000830457 570380637 /nfs/dbraw/zinc/38/06/37/570380637.db2.gz PQSZFCOWIWLBPJ-UHFFFAOYSA-N 0 0 393.359 3.573 50 5 GHBARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(N)c21 ZINC000005063538 570409063 /nfs/dbraw/zinc/40/90/63/570409063.db2.gz MCQJDSBCNFSAPD-UHFFFAOYSA-N 0 0 386.433 3.802 50 5 GHBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccccc1F ZINC000005107879 570418647 /nfs/dbraw/zinc/41/86/47/570418647.db2.gz GEUOHFATRCFMED-UHFFFAOYSA-N 0 0 384.392 3.922 50 5 GHBARN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000013330027 570489865 /nfs/dbraw/zinc/48/98/65/570489865.db2.gz XOAJVKNOLIWTPH-SECBINFHSA-N 0 0 375.233 3.941 50 5 GHBARN Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005270004 570545837 /nfs/dbraw/zinc/54/58/37/570545837.db2.gz JAGABRBNRAFIED-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN O=C(Nc1ccccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270695 570546808 /nfs/dbraw/zinc/54/68/08/570546808.db2.gz VDQDBPZDRBXGJB-UHFFFAOYSA-N 0 0 383.791 3.711 50 5 GHBARN CCOC(=O)[C@@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 ZINC000005644529 570679158 /nfs/dbraw/zinc/67/91/58/570679158.db2.gz IKFVSVFHVALILA-YZGWKJHDSA-N 0 0 392.411 3.631 50 5 GHBARN CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013788117 570684573 /nfs/dbraw/zinc/68/45/73/570684573.db2.gz OTEGYHPVGFRSLQ-UHFFFAOYSA-N 0 0 379.416 3.877 50 5 GHBARN Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(C)c1Br ZINC000001113139 570753883 /nfs/dbraw/zinc/75/38/83/570753883.db2.gz CEUILWDKYBUPFT-UHFFFAOYSA-N 0 0 375.178 3.775 50 5 GHBARN CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000001123788 570754791 /nfs/dbraw/zinc/75/47/91/570754791.db2.gz GMUHCBJHWCGJCH-UHFFFAOYSA-N 0 0 393.193 3.673 50 5 GHBARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000001128959 570755716 /nfs/dbraw/zinc/75/57/16/570755716.db2.gz VTGDANWLQPVDIK-CYBMUJFWSA-N 0 0 397.460 3.818 50 5 GHBARN Cc1cccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000013159906 570763848 /nfs/dbraw/zinc/76/38/48/570763848.db2.gz HAYLGVGXXAMYRM-UHFFFAOYSA-N 0 0 384.432 3.542 50 5 GHBARN Cc1cc2c(c(=O)n1C)[C@H](c1cc3cc4ccccc4cc3[nH]c1=O)CC(=O)O2 ZINC000524732783 570767616 /nfs/dbraw/zinc/76/76/16/570767616.db2.gz NSLWZKYJQFXICV-INIZCTEOSA-N 0 0 386.407 3.542 50 5 GHBARN COc1ccccc1/C=C/C=C1\N=C(c2ccc(OC)c([N+](=O)[O-])c2)OC1=O ZINC000015217155 570787049 /nfs/dbraw/zinc/78/70/49/570787049.db2.gz CJDQPGNSTUQUKT-VAKPMEJFSA-N 0 0 380.356 3.513 50 5 GHBARN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001173016 570787527 /nfs/dbraw/zinc/78/75/27/570787527.db2.gz UPDKLOZRDQEYJG-UHFFFAOYSA-N 0 0 384.461 3.712 50 5 GHBARN C[C@H]1c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc3c2N(CCC3)C1=O ZINC000101078605 570793978 /nfs/dbraw/zinc/79/39/78/570793978.db2.gz 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COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001164113 918477621 /nfs/dbraw/zinc/47/76/21/918477621.db2.gz QTZDIFLOENOBCD-UHFFFAOYSA-N 0 0 386.429 3.594 50 5 GHBARN Cc1ccc([C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000408515298 231048251 /nfs/dbraw/zinc/04/82/51/231048251.db2.gz MVYGUAWIOPYRCH-OAQYLSRUSA-N 0 0 377.400 3.583 50 5 GHBARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000001207168 203896313 /nfs/dbraw/zinc/89/63/13/203896313.db2.gz VHZOATKFJAMZQN-UHFFFAOYSA-N 0 0 377.335 3.720 50 5 GHBARN CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000001127088 203886892 /nfs/dbraw/zinc/88/68/92/203886892.db2.gz OAJOGAVYQBYDCN-UHFFFAOYSA-N 0 0 379.210 3.937 50 5 GHBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccco1 ZINC000002890894 203971843 /nfs/dbraw/zinc/97/18/43/203971843.db2.gz DCMYNZBHDNJOSY-UHFFFAOYSA-N 0 0 375.431 3.720 50 5 GHBARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004032612 204023858 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O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004896905 204089162 /nfs/dbraw/zinc/08/91/62/204089162.db2.gz WQHSYEBZMSMLKB-UHFFFAOYSA-N 0 0 395.337 3.703 50 5 GHBARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000004915624 204091281 /nfs/dbraw/zinc/09/12/81/204091281.db2.gz NSBGWUXSSREIFJ-UHFFFAOYSA-N 0 0 398.415 3.665 50 5 GHBARN COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000004581113 204055808 /nfs/dbraw/zinc/05/58/08/204055808.db2.gz WKURPDHRQUYNIM-SNVBAGLBSA-N 0 0 393.779 3.694 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1F ZINC000005102203 204111048 /nfs/dbraw/zinc/11/10/48/204111048.db2.gz AYQJPWHWIFNYOQ-UHFFFAOYSA-N 0 0 399.172 3.523 50 5 GHBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)c1 ZINC000005177017 204116362 /nfs/dbraw/zinc/11/63/62/204116362.db2.gz JVHJGSTTZARFCY-UHFFFAOYSA-N 0 0 396.407 3.780 50 5 GHBARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000005829703 204153448 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GYKFGAQGPVNVEA-QGZVFWFLSA-N 0 0 390.823 3.981 50 5 GHBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683983 204063369 /nfs/dbraw/zinc/06/33/69/204063369.db2.gz AHNYDKMEVVPRHA-QZTJIDSGSA-N 0 0 391.427 3.971 50 5 GHBARN CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004682161 204063496 /nfs/dbraw/zinc/06/34/96/204063496.db2.gz OVKICABRBGROKX-UHFFFAOYSA-N 0 0 381.432 3.648 50 5 GHBARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005139449 204113622 /nfs/dbraw/zinc/11/36/22/204113622.db2.gz RNNLNRNOVHPNEB-OAHLLOKOSA-N 0 0 398.293 3.912 50 5 GHBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000005128812 204114572 /nfs/dbraw/zinc/11/45/72/204114572.db2.gz BIVVVCHBTNBZQN-FQEVSTJZSA-N 0 0 375.384 3.646 50 5 GHBARN COc1ccc(-c2nc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cs2)cc1 ZINC000005228844 204120483 /nfs/dbraw/zinc/12/04/83/204120483.db2.gz FMIAEPMCBRBDOD-UHFFFAOYSA-N 0 0 385.401 3.666 50 5 GHBARN C[C@H](Sc1nnc(C2CCCCC2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004977148 204098082 /nfs/dbraw/zinc/09/80/82/204098082.db2.gz XAZAEVWTEMLFMT-LBPRGKRZSA-N 0 0 389.481 3.890 50 5 GHBARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000004977809 204098232 /nfs/dbraw/zinc/09/82/32/204098232.db2.gz FCIYCTDCNNFYMT-UHFFFAOYSA-N 0 0 393.399 3.809 50 5 GHBARN CCOc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005031152 204104987 /nfs/dbraw/zinc/10/49/87/204104987.db2.gz ILDJFMOHKRDJRP-CHWSQXEVSA-N 0 0 386.456 3.592 50 5 GHBARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005041832 204105732 /nfs/dbraw/zinc/10/57/32/204105732.db2.gz DGUQGDKGXQLBCV-UHFFFAOYSA-N 0 0 395.462 3.877 50 5 GHBARN Cc1sc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)nc1-c1ccc(C)cc1 ZINC000005641675 204143938 /nfs/dbraw/zinc/14/39/38/204143938.db2.gz OLDBZZZWEYOIDR-UHFFFAOYSA-N 0 0 377.813 3.964 50 5 GHBARN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000006255607 204172098 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COc1cccc(-c2nc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cs2)c1 ZINC000007122546 204233424 /nfs/dbraw/zinc/23/34/24/204233424.db2.gz BDOYFWDXCNDYFA-UHFFFAOYSA-N 0 0 385.401 3.666 50 5 GHBARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC000007191679 204236765 /nfs/dbraw/zinc/23/67/65/204236765.db2.gz LYFMSXTVUIQXBX-SNVBAGLBSA-N 0 0 392.408 3.716 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007890847 204253699 /nfs/dbraw/zinc/25/36/99/204253699.db2.gz NMOUZNDMIWIEAG-CQSZACIVSA-N 0 0 397.456 3.990 50 5 GHBARN COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008917369 204292875 /nfs/dbraw/zinc/29/28/75/204292875.db2.gz DAEGTWJWSZDMLV-UHFFFAOYSA-N 0 0 396.399 3.804 50 5 GHBARN CC(C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008050923 204260649 /nfs/dbraw/zinc/26/06/49/204260649.db2.gz HHTONDORZSAIFP-GFCCVEGCSA-N 0 0 381.429 3.594 50 5 GHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008161138 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570376247 /nfs/dbraw/zinc/37/62/47/570376247.db2.gz ZZWGFJRIEBVPPV-UHFFFAOYSA-N 0 0 383.429 3.574 50 5 GHBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C1 ZINC000005067677 570410510 /nfs/dbraw/zinc/41/05/10/570410510.db2.gz YXEZSGUHVDQCGP-GHMZBOCLSA-N 0 0 376.848 3.846 50 5 GHBARN Cc1ccc(CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 ZINC000005107670 570418394 /nfs/dbraw/zinc/41/83/94/570418394.db2.gz OPXXFVATECZZTA-UHFFFAOYSA-N 0 0 398.444 3.817 50 5 GHBARN O=C(Oc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001865625 570438079 /nfs/dbraw/zinc/43/80/79/570438079.db2.gz XFYUFFWALDHZDZ-UHFFFAOYSA-N 0 0 399.380 3.582 50 5 GHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000845696 570466735 /nfs/dbraw/zinc/46/67/35/570466735.db2.gz HDJIPMFRRVMOPK-MRXNPFEDSA-N 0 0 386.795 3.515 50 5 GHBARN Cc1cccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000046645913 570706250 /nfs/dbraw/zinc/70/62/50/570706250.db2.gz 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COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000001167417 570759060 /nfs/dbraw/zinc/75/90/60/570759060.db2.gz DHEBDNYEVRYGPY-MHWRWJLKSA-N 0 0 398.396 3.618 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000001207569 570793560 /nfs/dbraw/zinc/79/35/60/570793560.db2.gz LEAVGFUQOIRLSD-UHFFFAOYSA-N 0 0 391.383 3.865 50 5 GHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000012545065 570845807 /nfs/dbraw/zinc/84/58/07/570845807.db2.gz FJRNWDHOCOXXAR-UHFFFAOYSA-N 0 0 386.433 3.824 50 5 GHBARN CCc1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000013948547 570884146 /nfs/dbraw/zinc/88/41/46/570884146.db2.gz IWYNBYSWLXFCBU-UHFFFAOYSA-N 0 0 385.239 3.721 50 5 GHBARN Cc1ccc(NC(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000089643347 570908192 /nfs/dbraw/zinc/90/81/92/570908192.db2.gz VKSGOADXRCHQTJ-UHFFFAOYSA-N 0 0 388.855 3.906 50 5 GHBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1=O ZINC000005440376 570946865 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GHBARN Cc1ccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000020899675 860669312 /nfs/dbraw/zinc/66/93/12/860669312.db2.gz WNWDWWLFEDLBNN-UHFFFAOYSA-N 0 0 385.401 3.959 50 5 GHBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000021106853 860714535 /nfs/dbraw/zinc/71/45/35/860714535.db2.gz NOSMUWRCNLLLMT-FQEVSTJZSA-N 0 0 390.399 3.765 50 5 GHBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccccc2[N+](=O)[O-])cc1 ZINC000021106592 860714593 /nfs/dbraw/zinc/71/45/93/860714593.db2.gz CRITZRQHLKESQA-LJQANCHMSA-N 0 0 376.372 3.770 50 5 GHBARN NC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000021222281 860748772 /nfs/dbraw/zinc/74/87/72/860748772.db2.gz PMTYZVFCEQHKLS-UHFFFAOYSA-N 0 0 376.372 3.690 50 5 GHBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000013000671 899061638 /nfs/dbraw/zinc/06/16/38/899061638.db2.gz FBEZTTHIBHRNBE-UHFFFAOYSA-N 0 0 399.407 3.580 50 5 GHBARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020649949 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396.476 3.907 50 5 GHBARN CC[C@H](SC1=NCCS1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002746417 203959382 /nfs/dbraw/zinc/95/93/82/203959382.db2.gz PSWOYOBUXYJJIN-JTQLQIEISA-N 0 0 382.492 3.758 50 5 GHBARN O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 ZINC000002918998 203973424 /nfs/dbraw/zinc/97/34/24/203973424.db2.gz CAFVHVVRWOIRLF-CABCVRRESA-N 0 0 387.346 3.934 50 5 GHBARN CCOCCCn1c(=O)c2ccccc2nc1Sc1ccccc1[N+](=O)[O-] ZINC000003323839 203997443 /nfs/dbraw/zinc/99/74/43/203997443.db2.gz LYCGYEHLWHPLBQ-UHFFFAOYSA-N 0 0 385.445 3.883 50 5 GHBARN CSc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003499699 204010267 /nfs/dbraw/zinc/01/02/67/204010267.db2.gz HXCMAMWOSACDPN-UHFFFAOYSA-N 0 0 380.809 3.766 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000004090945 204026225 /nfs/dbraw/zinc/02/62/25/204026225.db2.gz CVMKQOYGHRLUDN-RUDMXATFSA-N 0 0 391.836 3.783 50 5 GHBARN CCCCNc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000004158472 204029965 /nfs/dbraw/zinc/02/99/65/204029965.db2.gz FORFOHRRYXEDIH-UHFFFAOYSA-N 0 0 379.394 3.548 50 5 GHBARN Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 ZINC000004837297 204080956 /nfs/dbraw/zinc/08/09/56/204080956.db2.gz HTRPRRUTXIRFCG-QGOAFFKASA-N 0 0 391.383 3.906 50 5 GHBARN COCc1nnc(SCc2ccc(OC)c([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000004842001 204082455 /nfs/dbraw/zinc/08/24/55/204082455.db2.gz NJVDCICRRWPLMQ-UHFFFAOYSA-N 0 0 386.433 3.623 50 5 GHBARN Cc1cccc(N2CCN(C(=O)CSc3ccsc3[N+](=O)[O-])C[C@@H]2C)c1 ZINC000004911249 204090017 /nfs/dbraw/zinc/09/00/17/204090017.db2.gz IXYQUOLJDIQWRN-AWEZNQCLSA-N 0 0 391.518 3.794 50 5 GHBARN C[C@H]1C[C@H](C)CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1 ZINC000005149815 204115603 /nfs/dbraw/zinc/11/56/03/204115603.db2.gz NXWIWMCDJGWCDM-RYUDHWBXSA-N 0 0 390.875 3.715 50 5 GHBARN Cc1cccc(Cn2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2=O)c1 ZINC000005269737 204122912 /nfs/dbraw/zinc/12/29/12/204122912.db2.gz GMXXWCVXHQDQAN-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005310082 204124481 /nfs/dbraw/zinc/12/44/81/204124481.db2.gz WHYFRXZJPINWHF-QMMMGPOBSA-N 0 0 377.813 3.590 50 5 GHBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(Cl)cc1 ZINC000005345553 204126495 /nfs/dbraw/zinc/12/64/95/204126495.db2.gz XBXZHLZNMDBSGI-UHFFFAOYSA-N 0 0 379.847 3.979 50 5 GHBARN CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005027958 204104261 /nfs/dbraw/zinc/10/42/61/204104261.db2.gz NRHZWEIOWPCRBP-UHFFFAOYSA-N 0 0 388.855 3.642 50 5 GHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000005745960 204150806 /nfs/dbraw/zinc/15/08/06/204150806.db2.gz CMBWFHWFLDKKQO-VXGBXAGGSA-N 0 0 388.807 3.771 50 5 GHBARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000005860564 204154199 /nfs/dbraw/zinc/15/41/99/204154199.db2.gz QZGNMXUZSAWHGM-UHFFFAOYSA-N 0 0 379.372 3.555 50 5 GHBARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 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0 0 389.462 3.640 50 5 GHBARN CC(C)c1cccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008984098 204295371 /nfs/dbraw/zinc/29/53/71/204295371.db2.gz HOKNGWSLBIPASG-CYBMUJFWSA-N 0 0 376.434 3.519 50 5 GHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2ccsc2)no1 ZINC000008547190 204279655 /nfs/dbraw/zinc/27/96/55/204279655.db2.gz DNLXCISHOMSMCT-UHFFFAOYSA-N 0 0 388.405 3.642 50 5 GHBARN CCn1c2cc([N+](=O)[O-])c(Nc3ccc(C)cc3)c([N+](=O)[O-])c2n(CC)c1=O ZINC000009235156 204303320 /nfs/dbraw/zinc/30/33/20/204303320.db2.gz JEVJZBVNMXFMEC-UHFFFAOYSA-N 0 0 385.380 3.711 50 5 GHBARN CCSc1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000009439663 204311394 /nfs/dbraw/zinc/31/13/94/204311394.db2.gz DMWLXHBEHYBYOR-UHFFFAOYSA-N 0 0 381.464 3.901 50 5 GHBARN O=C(N[C@@H]1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009871510 204326466 /nfs/dbraw/zinc/32/64/66/204326466.db2.gz KROZQXSFKXISQI-PMACEKPBSA-N 0 0 387.395 3.743 50 5 GHBARN Cc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1[N+](=O)[O-] ZINC000010914223 204340026 /nfs/dbraw/zinc/34/00/26/204340026.db2.gz PMDAYHOEUSPOPL-UHFFFAOYSA-N 0 0 377.404 3.699 50 5 GHBARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000010901705 204340636 /nfs/dbraw/zinc/34/06/36/204340636.db2.gz YFTIAWAYILDTKL-UHFFFAOYSA-N 0 0 378.432 3.695 50 5 GHBARN CCOc1ccc(-n2ccnc(SCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000012415374 204406051 /nfs/dbraw/zinc/40/60/51/204406051.db2.gz GKIPDLYWJOMAIA-UHFFFAOYSA-N 0 0 383.429 3.832 50 5 GHBARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000012601801 204430585 /nfs/dbraw/zinc/43/05/85/204430585.db2.gz WSZUNOMLKCYSEX-MRXNPFEDSA-N 0 0 380.404 3.847 50 5 GHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000012752023 204442012 /nfs/dbraw/zinc/44/20/12/204442012.db2.gz FHXLLQRSLUEUDW-OAHLLOKOSA-N 0 0 389.458 3.730 50 5 GHBARN COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)c1 ZINC000024483294 204821819 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393.365 3.572 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1 ZINC000006549311 570472746 /nfs/dbraw/zinc/47/27/46/570472746.db2.gz UDXMHTTYYMBPLU-SNVBAGLBSA-N 0 0 394.225 3.805 50 5 GHBARN Cc1nn(-c2cc(N3CCCC3)c(Cl)cc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000006670241 570528404 /nfs/dbraw/zinc/52/84/04/570528404.db2.gz BNQSTSUUJDSABM-UHFFFAOYSA-N 0 0 384.823 3.856 50 5 GHBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032994615 570575863 /nfs/dbraw/zinc/57/58/63/570575863.db2.gz QTFAIHAMJXBMSE-NSHDSACASA-N 0 0 392.795 3.734 50 5 GHBARN O=C(c1ccccc1)c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000036391528 570673445 /nfs/dbraw/zinc/67/34/45/570673445.db2.gz CJLPVEFOMBAYEB-UHFFFAOYSA-N 0 0 393.365 3.510 50 5 GHBARN COc1ccc2cc(CN(C)C(=O)COc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000012938782 570730854 /nfs/dbraw/zinc/73/08/54/570730854.db2.gz MPINCRKTQFQKGI-UHFFFAOYSA-N 0 0 380.400 3.794 50 5 GHBARN CC(C)(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000007168459 570809159 /nfs/dbraw/zinc/80/91/59/570809159.db2.gz LZQBCUBCYUHIEJ-UHFFFAOYSA-N 0 0 386.404 3.705 50 5 GHBARN O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Br ZINC000004507030 570819503 /nfs/dbraw/zinc/81/95/03/570819503.db2.gz NDPVWURWIAPFRZ-UHFFFAOYSA-N 0 0 398.644 3.853 50 5 GHBARN C[C@@H]1C[C@@H](C)CN(c2cc3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C3=O)C1 ZINC000004686403 570830550 /nfs/dbraw/zinc/83/05/50/570830550.db2.gz SSBKZXSCZRDXJG-ZIAGYGMSSA-N 0 0 379.416 3.878 50 5 GHBARN O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCC3)nc(N3CCCC3)n2)cc1 ZINC000004684949 570830577 /nfs/dbraw/zinc/83/05/77/570830577.db2.gz WKITUBGDGDTMFC-UHFFFAOYSA-N 0 0 383.456 3.868 50 5 GHBARN COC(=O)c1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc([N+](=O)[O-])c1 ZINC000033213867 570853411 /nfs/dbraw/zinc/85/34/11/570853411.db2.gz SDHHGOQFMLFYTA-UHFFFAOYSA-N 0 0 381.344 3.652 50 5 GHBARN O=C(CCCCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000004542679 570854147 /nfs/dbraw/zinc/85/41/47/570854147.db2.gz 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O=[N+]([O-])c1cc(I)c(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000002184379 570993712 /nfs/dbraw/zinc/99/37/12/570993712.db2.gz VDTKZNVXBILUPJ-UHFFFAOYSA-N 0 0 386.101 3.900 50 5 GHBARN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000045797512 570996835 /nfs/dbraw/zinc/99/68/35/570996835.db2.gz OVUJDLGLXOWZGR-LLVKDONJSA-N 0 0 399.266 3.538 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000012762469 571013439 /nfs/dbraw/zinc/01/34/39/571013439.db2.gz XHAHGTIHWLAWBH-ZDUSSCGKSA-N 0 0 382.445 3.875 50 5 GHBARN CNS(=O)(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000007737569 571027604 /nfs/dbraw/zinc/02/76/04/571027604.db2.gz DEONKQDGSKOTAE-UHFFFAOYSA-N 0 0 376.221 3.553 50 5 GHBARN C[C@H](c1ccc(F)cc1F)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000084651681 571029462 /nfs/dbraw/zinc/02/94/62/571029462.db2.gz VVCLKGMJTSQCFE-AFNXNYLOSA-N 0 0 383.372 3.749 50 5 GHBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000002735000 861551835 /nfs/dbraw/zinc/55/18/35/861551835.db2.gz UHNGKVBPBZXFOA-UHFFFAOYSA-N 0 0 379.382 3.931 50 5 GHBARN O=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809299 861637281 /nfs/dbraw/zinc/63/72/81/861637281.db2.gz GIEIQBOQYIPTNP-UHFFFAOYSA-N 0 0 388.786 3.562 50 5 GHBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000002875229 861729998 /nfs/dbraw/zinc/72/99/98/861729998.db2.gz VFFSHJDGGPWDEQ-UHFFFAOYSA-N 0 0 380.404 3.625 50 5 GHBARN Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000002987052 862083484 /nfs/dbraw/zinc/08/34/84/862083484.db2.gz ONSOBKJPRXYFFM-UHFFFAOYSA-N 0 0 398.469 3.575 50 5 GHBARN Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000002999003 862094008 /nfs/dbraw/zinc/09/40/08/862094008.db2.gz VMTZWKFVKPZUQP-UHFFFAOYSA-N 0 0 383.400 3.685 50 5 GHBARN O=C(CNC(=O)C1CCCCC1)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003355047 862361653 /nfs/dbraw/zinc/36/16/53/862361653.db2.gz ZLRHRKUJPFVULT-UHFFFAOYSA-N 0 0 393.439 3.686 50 5 aggregator GHBARN COC(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000003432227 862407028 /nfs/dbraw/zinc/40/70/28/862407028.db2.gz OKPGGVCTADYEAO-UHFFFAOYSA-N 0 0 384.266 3.532 50 5 GHBARN COc1ccc(CNc2nnc(Sc3ncccc3[N+](=O)[O-])s2)cc1 ZINC000008775942 856360016 /nfs/dbraw/zinc/36/00/16/856360016.db2.gz FHGWNBPCQHBACN-UHFFFAOYSA-N 0 0 375.435 3.613 50 5 GHBARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000069949654 857163240 /nfs/dbraw/zinc/16/32/40/857163240.db2.gz KJJVRBLROQAIQK-HNNXBMFYSA-N 0 0 396.450 3.908 50 5 GHBARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000009690675 857309143 /nfs/dbraw/zinc/30/91/43/857309143.db2.gz WKBGYTZDJJRFPW-QGZVFWFLSA-N 0 0 390.823 3.746 50 5 GHBARN O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000002266887 860467888 /nfs/dbraw/zinc/46/78/88/860467888.db2.gz CRBHQOMDQNYXQX-UHFFFAOYSA-N 0 0 384.373 3.803 50 5 GHBARN C[C@@H](Sc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007786077 882150512 /nfs/dbraw/zinc/15/05/12/882150512.db2.gz LRSFMDGVCXEWMR-SNVBAGLBSA-N 0 0 387.446 3.628 50 5 GHBARN COc1ccc(OC)c(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000725775 897929057 /nfs/dbraw/zinc/92/90/57/897929057.db2.gz LHCLKCKXBJJNRD-ZSOIEALJSA-N 0 0 388.763 3.610 50 5 GHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000004187794 898211275 /nfs/dbraw/zinc/21/12/75/898211275.db2.gz XCONJLJFFXLWEO-UHFFFAOYSA-N 0 0 398.644 3.853 50 5 GHBARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000012805313 899021826 /nfs/dbraw/zinc/02/18/26/899021826.db2.gz HALJHPHTZOKMBD-MRXNPFEDSA-N 0 0 398.415 3.742 50 5 GHBARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc2c(c1)OCCO2 ZINC000003196903 901062112 /nfs/dbraw/zinc/06/21/12/901062112.db2.gz AXRYSOYUVIVIER-LZCJLJQNSA-N 0 0 392.314 3.619 50 5 GHBARN O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000003198966 901063984 /nfs/dbraw/zinc/06/39/84/901063984.db2.gz OHQCXCUKIRVHRS-BQYQJAHWSA-N 0 0 376.294 3.822 50 5 GHBARN Cn1cnnc1Sc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000005696198 903038058 /nfs/dbraw/zinc/03/80/58/903038058.db2.gz QZOJKXZKRSVPPR-VQHVLOKHSA-N 0 0 378.417 3.921 50 5 GHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000096925032 915199275 /nfs/dbraw/zinc/19/92/75/915199275.db2.gz UWIUMSMADLDYAR-KKMIYCERSA-N 0 0 380.400 3.743 50 5 GHBARN CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000334163202 206254652 /nfs/dbraw/zinc/25/46/52/206254652.db2.gz WOWORGXEGYNACP-SFHVURJKSA-N 0 0 396.403 3.537 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000822099 206323977 /nfs/dbraw/zinc/32/39/77/206323977.db2.gz QJMYEDFKBMGELE-INIZCTEOSA-N 0 0 397.416 3.680 50 5 GHBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1 ZINC000000820218 206324242 /nfs/dbraw/zinc/32/42/42/206324242.db2.gz ANDNJENYPXSPNU-UHFFFAOYSA-N 0 0 382.397 3.768 50 5 GHBARN O=C(Nc1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 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HLVXFSYPILGXPR-NTUHNPAUSA-N 0 0 388.763 3.610 50 5 GHBARN Cc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000001082693 206351030 /nfs/dbraw/zinc/35/10/30/206351030.db2.gz PPRJVZXWFZCHBN-LJQANCHMSA-N 0 0 395.415 3.617 50 5 GHBARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccccc1[N+](=O)[O-])NC3=O ZINC000001085868 206351223 /nfs/dbraw/zinc/35/12/23/206351223.db2.gz CKJKBVUDDCIBMC-INIZCTEOSA-N 0 0 384.417 3.513 50 5 GHBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000001429858 206380701 /nfs/dbraw/zinc/38/07/01/206380701.db2.gz ILLWXMMRIDUOBO-UHFFFAOYSA-N 0 0 381.230 3.624 50 5 GHBARN COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)S3)cc1 ZINC000001473486 206384257 /nfs/dbraw/zinc/38/42/57/206384257.db2.gz FSQVRDFWONXTDE-HNNXBMFYSA-N 0 0 382.401 3.739 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001150591 206359389 /nfs/dbraw/zinc/35/93/89/206359389.db2.gz FHKCIZLPCDXQMA-UHFFFAOYSA-N 0 0 391.383 3.865 50 5 GHBARN Cc1ccc2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 ZINC000002060667 206397499 /nfs/dbraw/zinc/39/74/99/206397499.db2.gz JTCUYGKQZDTDMG-UHFFFAOYSA-N 0 0 378.793 3.873 50 5 GHBARN O=C(OCc1nc2cc3ccccc3cc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002055847 206397596 /nfs/dbraw/zinc/39/75/96/206397596.db2.gz LCIDZDNCVCKKRL-UHFFFAOYSA-N 0 0 392.327 3.890 50 5 GHBARN CCOc1ccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000002318163 206408207 /nfs/dbraw/zinc/40/82/07/206408207.db2.gz VJTGATBGGUBRLE-MRXNPFEDSA-N 0 0 387.417 3.627 50 5 GHBARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1 ZINC000003288043 206467569 /nfs/dbraw/zinc/46/75/69/206467569.db2.gz DGZSSHUXLHNXLH-SFHVURJKSA-N 0 0 396.355 3.733 50 5 aggregator GHBARN COc1cccc(/C=C2/N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)c1OC ZINC000004590054 206532471 /nfs/dbraw/zinc/53/24/71/206532471.db2.gz ZRODHFAECCWNKR-NTFJEWRLSA-N 0 0 380.356 3.622 50 5 GHBARN Cc1ccccc1-n1nc([N+](=O)[O-])c(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)[n+]1[O-] ZINC000004971345 206579026 /nfs/dbraw/zinc/57/90/26/206579026.db2.gz JLYQVEHVGIUWRZ-HILYYZTDSA-N 0 0 397.479 3.739 50 5 GHBARN Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005444429 206612074 /nfs/dbraw/zinc/61/20/74/206612074.db2.gz CYTXYRYLSNSNEC-LJQANCHMSA-N 0 0 391.383 3.835 50 5 GHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCOc1cc(Cl)ccc1Cl ZINC000007061992 206701719 /nfs/dbraw/zinc/70/17/19/206701719.db2.gz JGDQYNDHKUXHPH-UHFFFAOYSA-N 0 0 381.171 3.577 50 5 GHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008425984 206752709 /nfs/dbraw/zinc/75/27/09/206752709.db2.gz QOWUQGKQDSJSCU-UHFFFAOYSA-N 0 0 390.402 3.844 50 5 GHBARN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2nc3ccccc3n12 ZINC000013810426 207000273 /nfs/dbraw/zinc/00/02/73/207000273.db2.gz IUAFMCGOKRAGOP-WOJGMQOQSA-N 0 0 389.392 3.625 50 5 GHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1C 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XIKMEDACSUSZFC-HXUWFJFHSA-N 0 0 383.451 3.913 50 5 GHBARN O=C(Nc1cccc(Cn2cccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000025133857 207301392 /nfs/dbraw/zinc/30/13/92/207301392.db2.gz UFKGXTWWCBEIAB-UHFFFAOYSA-N 0 0 391.431 3.692 50 5 GHBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1 ZINC000025370067 207302920 /nfs/dbraw/zinc/30/29/20/207302920.db2.gz MKMCMOBPQIKWTI-UHFFFAOYSA-N 0 0 399.428 3.916 50 5 GHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000025784784 207305695 /nfs/dbraw/zinc/30/56/95/207305695.db2.gz PVNVBRQJOIGNEW-QPJJXVBHSA-N 0 0 397.500 3.545 50 5 GHBARN CC(C)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000026802093 207320122 /nfs/dbraw/zinc/32/01/22/207320122.db2.gz OJKJRFXVLJTBEG-SFHVURJKSA-N 0 0 389.477 3.620 50 5 GHBARN CCc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000026943082 207320379 /nfs/dbraw/zinc/32/03/79/207320379.db2.gz POFUIYFOHRBYKG-QAPCUYQASA-N 0 0 395.459 3.730 50 5 GHBARN COc1ccc(N(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000027795742 207331612 /nfs/dbraw/zinc/33/16/12/207331612.db2.gz UOTXHISPMPEKDI-UHFFFAOYSA-N 0 0 382.372 3.809 50 5 GHBARN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000032400312 207393993 /nfs/dbraw/zinc/39/39/93/207393993.db2.gz OVGMIWSSOCXWSX-UHFFFAOYSA-N 0 0 377.238 3.951 50 5 GHBARN O=C(NCc1cccnc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000040074523 207573660 /nfs/dbraw/zinc/57/36/60/207573660.db2.gz LEWBUCFOSIPBBM-UHFFFAOYSA-N 0 0 389.717 3.514 50 5 GHBARN Cc1nc2ccccc2n(CCCNc2ccc([N+](=O)[O-])c3cccnc23)c1=O ZINC000095467577 208190576 /nfs/dbraw/zinc/19/05/76/208190576.db2.gz SBLIHZZEYKITNL-UHFFFAOYSA-N 0 0 389.415 3.664 50 5 GHBARN CC(C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096275338 208300178 /nfs/dbraw/zinc/30/01/78/208300178.db2.gz SWYSBRFAJHFPNR-MRXNPFEDSA-N 0 0 384.367 3.911 50 5 GHBARN O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000100202123 208375187 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O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccc(Cl)cn1 ZINC000058109254 208851865 /nfs/dbraw/zinc/85/18/65/208851865.db2.gz GLOIZZUNQPJWCL-UHFFFAOYSA-N 0 0 375.690 3.680 50 5 GHBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000027951660 208926422 /nfs/dbraw/zinc/92/64/22/208926422.db2.gz JQDIFLTUDJGNML-LLVKDONJSA-N 0 0 399.266 3.705 50 5 GHBARN COc1ccc(C(=O)NCCc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000065008567 209002244 /nfs/dbraw/zinc/00/22/44/209002244.db2.gz NXHBXVQCDLFDED-UHFFFAOYSA-N 0 0 383.429 3.699 50 5 GHBARN COc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000032930825 208992572 /nfs/dbraw/zinc/99/25/72/208992572.db2.gz JSINUMWNCOUFNQ-UHFFFAOYSA-N 0 0 386.448 3.887 50 5 GHBARN C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000012554328 221205703 /nfs/dbraw/zinc/20/57/03/221205703.db2.gz PNTZJDAJTHTUDA-ZDUSSCGKSA-N 0 0 393.490 3.628 50 5 GHBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000766499 526629180 /nfs/dbraw/zinc/62/91/80/526629180.db2.gz JYGBRVPWIRJDJI-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN CCc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000048326098 570236433 /nfs/dbraw/zinc/23/64/33/570236433.db2.gz WWKFKCCVPUUOQY-LJQANCHMSA-N 0 0 376.478 3.974 50 5 GHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1csc(Br)c1 ZINC000048326229 570236551 /nfs/dbraw/zinc/23/65/51/570236551.db2.gz GEIGJMGNOJLFFV-NYYWCZLTSA-N 0 0 379.191 3.763 50 5 GHBARN COC(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000012878444 570275600 /nfs/dbraw/zinc/27/56/00/570275600.db2.gz FJZQTXRJPJJTHJ-QGZVFWFLSA-N 0 0 388.807 3.916 50 5 GHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1 ZINC000000728708 570309083 /nfs/dbraw/zinc/30/90/83/570309083.db2.gz XMWOQIOSUWFTBD-OAHLLOKOSA-N 0 0 384.866 3.685 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000004844905 570316285 /nfs/dbraw/zinc/31/62/85/570316285.db2.gz MNVGFHVWHQOMOJ-UHFFFAOYSA-N 0 0 383.429 3.690 50 5 GHBARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000006265235 570352454 /nfs/dbraw/zinc/35/24/54/570352454.db2.gz VLJJZILGQRJLBP-BMIGLBTASA-N 0 0 376.438 3.870 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(C)c1OC ZINC000006281100 570360667 /nfs/dbraw/zinc/36/06/67/570360667.db2.gz PZCWCVATLXSCSF-UHFFFAOYSA-N 0 0 395.209 3.935 50 5 GHBARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005028125 570398882 /nfs/dbraw/zinc/39/88/82/570398882.db2.gz UJSPVPMINRAZMB-UHFFFAOYSA-N 0 0 391.383 3.865 50 5 GHBARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005092415 570415357 /nfs/dbraw/zinc/41/53/57/570415357.db2.gz WBBNEGZUNWHJJR-UHFFFAOYSA-N 0 0 383.360 3.514 50 5 GHBARN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000006658875 570486313 /nfs/dbraw/zinc/48/63/13/570486313.db2.gz HSYYQEYXSAOILU-UHFFFAOYSA-N 0 0 383.433 3.604 50 5 GHBARN COc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000006636903 570511457 /nfs/dbraw/zinc/51/14/57/570511457.db2.gz DDLNCNTUOHMAGY-UHFFFAOYSA-N 0 0 398.246 3.981 50 5 GHBARN Cc1c(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cccc1[N+](=O)[O-] ZINC000008393356 570531117 /nfs/dbraw/zinc/53/11/17/570531117.db2.gz MIKOIQSGKNRHFN-UHFFFAOYSA-N 0 0 385.380 3.788 50 5 GHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269843 570545515 /nfs/dbraw/zinc/54/55/15/570545515.db2.gz MJSINWPFUYTMFH-UHFFFAOYSA-N 0 0 383.791 3.711 50 5 GHBARN Cc1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1C ZINC000005270736 570547118 /nfs/dbraw/zinc/54/71/18/570547118.db2.gz NQLLFZLOASDJMO-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN Cc1nn([C@@H](C)C2N=NC(=S)N2c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000005425108 570588796 /nfs/dbraw/zinc/58/87/96/570588796.db2.gz POZPFMJTVHRJFL-JTQLQIEISA-N 0 0 378.845 3.540 50 5 GHBARN COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000005638077 570678344 /nfs/dbraw/zinc/67/83/44/570678344.db2.gz KNZQFKJZVSLBKZ-UHFFFAOYSA-N 0 0 381.354 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O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1O ZINC000004812004 570999150 /nfs/dbraw/zinc/99/91/50/570999150.db2.gz NELCHDHVXRNTSZ-PKNBQFBNSA-N 0 0 375.340 3.763 50 5 GHBARN NC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000002660819 861493606 /nfs/dbraw/zinc/49/36/06/861493606.db2.gz MLQJBXWOKFESCA-UHFFFAOYSA-N 0 0 380.331 3.856 50 5 GHBARN COc1ccc2c(c1)oc1nc(-c3ccco3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002342476 855252964 /nfs/dbraw/zinc/25/29/64/855252964.db2.gz NZBWHBRNKQNLMD-UHFFFAOYSA-N 0 0 386.363 3.761 50 5 GHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2)c2nonc21 ZINC000004016549 862716382 /nfs/dbraw/zinc/71/63/82/862716382.db2.gz RHWBMEGMPVXQJY-UHFFFAOYSA-N 0 0 380.114 3.545 50 5 GHBARN O=C(Cc1cccs1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000004087820 862773445 /nfs/dbraw/zinc/77/34/45/862773445.db2.gz CEDDHEQEOFERIG-UHFFFAOYSA-N 0 0 392.487 3.981 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(OCc2nccn2C)cc1 ZINC000040119450 856669639 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207221874 /nfs/dbraw/zinc/22/18/74/207221874.db2.gz ASXHDHDFUJRSIU-UHFFFAOYSA-N 0 0 395.419 3.990 50 5 GHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnnn1Cc1cccs1 ZINC000021674052 207235595 /nfs/dbraw/zinc/23/55/95/207235595.db2.gz OYZTUWFTIXEOLU-UHFFFAOYSA-N 0 0 387.368 3.861 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023639477 207279541 /nfs/dbraw/zinc/27/95/41/207279541.db2.gz MYCZICKQMBPCMB-UHFFFAOYSA-N 0 0 394.258 3.860 50 5 GHBARN COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000027662835 207329053 /nfs/dbraw/zinc/32/90/53/207329053.db2.gz GFXTWAWJYOFUBO-UHFFFAOYSA-N 0 0 393.399 3.611 50 5 GHBARN CN(Cc1ccccc1F)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095977368 208249349 /nfs/dbraw/zinc/24/93/49/208249349.db2.gz PJJHZPXMJCVDSX-UHFFFAOYSA-N 0 0 386.301 3.790 50 5 GHBARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC1 ZINC000096277816 208300067 /nfs/dbraw/zinc/30/00/67/208300067.db2.gz NKCPLLNRRPVWCI-SFHVURJKSA-N 0 0 392.415 3.845 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](Sc2ccc(Cl)cc2)C1=O ZINC000100115223 208372244 /nfs/dbraw/zinc/37/22/44/208372244.db2.gz PLLSSFACJNAOMH-OAHLLOKOSA-N 0 0 392.820 3.681 50 5 GHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269320 208668278 /nfs/dbraw/zinc/66/82/78/208668278.db2.gz PNQCFPAWGRMDRN-UHFFFAOYSA-N 0 0 383.791 3.711 50 5 GHBARN Cc1cc(C(=O)Nc2ccccc2I)ccc1[N+](=O)[O-] ZINC000000834248 208706857 /nfs/dbraw/zinc/70/68/57/208706857.db2.gz XPLLREVOWOLMLG-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc(-c3ccccc3)c(C)s2)n1 ZINC000225541866 208958153 /nfs/dbraw/zinc/95/81/53/208958153.db2.gz XHQWXOCLPHONMO-UHFFFAOYSA-N 0 0 398.444 3.863 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000032930250 208992654 /nfs/dbraw/zinc/99/26/54/208992654.db2.gz CHSVQJZNBCYGAU-UHFFFAOYSA-N 0 0 389.411 3.706 50 5 GHBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000012553292 221205735 /nfs/dbraw/zinc/20/57/35/221205735.db2.gz PMOASYDXWLRROW-CYBMUJFWSA-N 0 0 389.402 3.967 50 5 GHBARN O=C(OCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004889865 136194131 /nfs/dbraw/zinc/19/41/31/136194131.db2.gz DSHSAXPYANVHQJ-UHFFFAOYSA-N 0 0 394.786 3.581 50 5 GHBARN Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004900963 136194186 /nfs/dbraw/zinc/19/41/86/136194186.db2.gz DSKDTYJXLANWOK-UHFFFAOYSA-N 0 0 397.475 3.754 50 5 GHBARN CN(C)C(=O)Sc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000065590254 222135577 /nfs/dbraw/zinc/13/55/77/222135577.db2.gz ZBQGHJSIJFNELQ-UHFFFAOYSA-N 0 0 388.449 3.809 50 5 GHBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000027951664 570210347 /nfs/dbraw/zinc/21/03/47/570210347.db2.gz JQDIFLTUDJGNML-NSHDSACASA-N 0 0 399.266 3.705 50 5 GHBARN Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1[N+](=O)[O-] ZINC000006045708 570222750 /nfs/dbraw/zinc/22/27/50/570222750.db2.gz FKFONUYCRJLLDD-UHFFFAOYSA-N 0 0 388.379 3.788 50 5 GHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)o1 ZINC000004834842 570306241 /nfs/dbraw/zinc/30/62/41/570306241.db2.gz NVGVLQHUGUKBTR-UHFFFAOYSA-N 0 0 388.380 3.823 50 5 GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2c(=O)o1 ZINC000011689991 570327987 /nfs/dbraw/zinc/32/79/87/570327987.db2.gz RUKXKRMMKFCICC-UHFFFAOYSA-N 0 0 389.161 3.716 50 5 GHBARN CC(=O)Nc1ccc(Nc2ccc([S@@](=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004868213 570351653 /nfs/dbraw/zinc/35/16/53/570351653.db2.gz SXOCCVZOUCTHBU-SANMLTNESA-N 0 0 387.339 3.924 50 5 GHBARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000006265387 570352375 /nfs/dbraw/zinc/35/23/75/570352375.db2.gz VLJJZILGQRJLBP-ZUZCIYMTSA-N 0 0 376.438 3.870 50 5 GHBARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000010902089 570355770 /nfs/dbraw/zinc/35/57/70/570355770.db2.gz JTTKMUCVLSGKMQ-UHFFFAOYSA-N 0 0 378.432 3.695 50 5 GHBARN COc1ccc(C(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)cc1 ZINC000008487414 570381017 /nfs/dbraw/zinc/38/10/17/570381017.db2.gz PYWOFTSVPNXJRF-UHFFFAOYSA-N 0 0 376.364 3.922 50 5 biogenic GHBARN O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1C[C@H]1CCCO1 ZINC000004867338 570413790 /nfs/dbraw/zinc/41/37/90/570413790.db2.gz SISWYXLXZLOOHI-OAHLLOKOSA-N 0 0 389.459 3.589 50 5 GHBARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc([N+](=O)[O-])c3)NC(=O)CCN21 ZINC000005201144 570504949 /nfs/dbraw/zinc/50/49/49/570504949.db2.gz LQWIDHPJWSCABT-XBFAEUMISA-N 0 0 377.444 3.930 50 5 GHBARN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC(F)F ZINC000072303519 570514274 /nfs/dbraw/zinc/51/42/74/570514274.db2.gz KONJBRXWFYAGLX-UHFFFAOYSA-N 0 0 386.358 3.688 50 5 GHBARN COc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005319314 570553157 /nfs/dbraw/zinc/55/31/57/570553157.db2.gz BDRZUFQMICBGDL-UHFFFAOYSA-N 0 0 396.852 3.544 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OCc2cccc(F)c2F)C1 ZINC000036315326 570614095 /nfs/dbraw/zinc/61/40/95/570614095.db2.gz ISASGYMUIWHQHI-MRXNPFEDSA-N 0 0 376.359 3.694 50 5 GHBARN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCOCC1 ZINC000004619699 570667102 /nfs/dbraw/zinc/66/71/02/570667102.db2.gz WKRUVLSQPOGCSI-UHFFFAOYSA-N 0 0 378.837 3.872 50 5 GHBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC(=O)Nc2ccccc21 ZINC000004428121 570756872 /nfs/dbraw/zinc/75/68/72/570756872.db2.gz ZFLPMRCVTFZEQS-UHFFFAOYSA-N 0 0 388.383 3.937 50 5 GHBARN COc1cccc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC ZINC000007293394 570826263 /nfs/dbraw/zinc/82/62/63/570826263.db2.gz GPSDXZNRWTVFHL-ZDUSSCGKSA-N 0 0 398.419 3.855 50 5 GHBARN Cc1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCC(C)CC4)cc3C2=O)cc1 ZINC000004686371 570830598 /nfs/dbraw/zinc/83/05/98/570830598.db2.gz LJENJHUAHJEWIF-UHFFFAOYSA-N 0 0 379.416 3.940 50 5 GHBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000012533207 570834721 /nfs/dbraw/zinc/83/47/21/570834721.db2.gz HTACXXICQGESRF-UHFFFAOYSA-N 0 0 375.690 3.680 50 5 GHBARN O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000004703650 570842849 /nfs/dbraw/zinc/84/28/49/570842849.db2.gz KFIBMBAWEJGQRA-UHFFFAOYSA-N 0 0 385.317 3.985 50 5 GHBARN O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Br ZINC000004558018 570864031 /nfs/dbraw/zinc/86/40/31/570864031.db2.gz VFOUSBBAHRWXFC-UHFFFAOYSA-N 0 0 398.644 3.853 50 5 GHBARN O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(C(F)(F)F)c1 ZINC000012561592 570866529 /nfs/dbraw/zinc/86/65/29/570866529.db2.gz HYBWXUJQQALZKF-UHFFFAOYSA-N 0 0 382.342 3.525 50 5 GHBARN O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032889640 570888856 /nfs/dbraw/zinc/88/88/56/570888856.db2.gz JKNHCFHUDQZGQK-UHFFFAOYSA-N 0 0 383.326 3.995 50 5 GHBARN COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1 ZINC000047406678 570955721 /nfs/dbraw/zinc/95/57/21/570955721.db2.gz SXWODTSJZARXAD-UHFFFAOYSA-N 0 0 380.404 3.818 50 5 GHBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)N(C)C ZINC000252488465 570970335 /nfs/dbraw/zinc/97/03/35/570970335.db2.gz ISLDPGCWGCJGET-UHFFFAOYSA-N 0 0 399.451 3.828 50 5 GHBARN Cc1ccc2[nH]c3c(cc(NCCO)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004808413 570997062 /nfs/dbraw/zinc/99/70/62/570997062.db2.gz KZWPMOVCPIUNDG-UHFFFAOYSA-N 0 0 386.407 3.654 50 5 GHBARN CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1[N+](=O)[O-] ZINC000054702537 570997725 /nfs/dbraw/zinc/99/77/25/570997725.db2.gz JSNBEEPNTZVQCP-LJQANCHMSA-N 0 0 375.388 3.803 50 5 GHBARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3ccc([N+](=O)[O-])cc3)c2n1 ZINC000046053729 571015685 /nfs/dbraw/zinc/01/56/85/571015685.db2.gz NMKADMGFVKENKC-UHFFFAOYSA-N 0 0 399.406 3.892 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1cccc(O)c1)c1ccccc1 ZINC000084522579 571021811 /nfs/dbraw/zinc/02/18/11/571021811.db2.gz HXPXMHNTKMOVNJ-FQEVSTJZSA-N 0 0 376.412 3.943 50 5 GHBARN Cc1ccc([C@H]2CCC[C@H]2N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000078931348 838241445 /nfs/dbraw/zinc/24/14/45/838241445.db2.gz UKYGAMSHVJCFSE-IAGOWNOFSA-N 0 0 378.432 3.684 50 5 GHBARN O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001170704 845014187 /nfs/dbraw/zinc/01/41/87/845014187.db2.gz WDRZDDUVEDIGMG-UHFFFAOYSA-N 0 0 387.347 3.846 50 5 GHBARN CCn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000002870426 861728351 /nfs/dbraw/zinc/72/83/51/861728351.db2.gz XKPKAEAUJGJODZ-UHFFFAOYSA-N 0 0 384.417 3.749 50 5 GHBARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000003610551 862518952 /nfs/dbraw/zinc/51/89/52/862518952.db2.gz VXVLJMUQIPHUGI-OAQYLSRUSA-N 0 0 375.384 3.715 50 5 GHBARN C[C@@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000008211518 856062670 /nfs/dbraw/zinc/06/26/70/856062670.db2.gz KECWEMFYOBGRNY-LLVKDONJSA-N 0 0 378.226 3.647 50 5 GHBARN COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000008279329 856094990 /nfs/dbraw/zinc/09/49/90/856094990.db2.gz LYMAPJOTVPJAJX-NSHDSACASA-N 0 0 399.428 3.824 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000008320640 856114340 /nfs/dbraw/zinc/11/43/40/856114340.db2.gz YYRDYZJCKOOSHC-SWLSCSKDSA-N 0 0 375.450 3.829 50 5 GHBARN CCOc1ccc(CC(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000004120677 862812336 /nfs/dbraw/zinc/81/23/36/862812336.db2.gz FVALJTXRZPBKCT-UHFFFAOYSA-N 0 0 399.472 3.668 50 5 GHBARN O=C(c1ccccc1)c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000040139273 856677235 /nfs/dbraw/zinc/67/72/35/856677235.db2.gz WMQLDGSMEZCJOZ-SFHVURJKSA-N 0 0 392.415 3.945 50 5 GHBARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])s1 ZINC000004275377 862923544 /nfs/dbraw/zinc/92/35/44/862923544.db2.gz QAFPZGSWXNCSGR-UHFFFAOYSA-N 0 0 389.414 3.803 50 5 GHBARN C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007975367 862946531 /nfs/dbraw/zinc/94/65/31/862946531.db2.gz JKOWBKWFHYIQAO-QMMMGPOBSA-N 0 0 399.186 3.791 50 5 GHBARN Cc1ccc(OCc2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1C ZINC000019928050 858208565 /nfs/dbraw/zinc/20/85/65/858208565.db2.gz UDPPWWBRWOPUQK-UHFFFAOYSA-N 0 0 395.444 3.740 50 5 GHBARN O=C(Nc1cccc(CNc2nc3ccccn3c2[N+](=O)[O-])c1)c1ccncc1 ZINC000054836873 860453804 /nfs/dbraw/zinc/45/38/04/860453804.db2.gz HFPAILOXOKXKGI-UHFFFAOYSA-N 0 0 388.387 3.502 50 5 GHBARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1 ZINC000002253276 860472330 /nfs/dbraw/zinc/47/23/30/860472330.db2.gz SAPKROUEINISBN-IBGZPJMESA-N 0 0 399.362 3.846 50 5 GHBARN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007813748 883673491 /nfs/dbraw/zinc/67/34/91/883673491.db2.gz JJJQYUVUZPEDGQ-MRVPVSSYSA-N 0 0 398.202 3.668 50 5 GHBARN COc1ccccc1Cc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000009489228 898689563 /nfs/dbraw/zinc/68/95/63/898689563.db2.gz LASSTVUABYXTMN-UHFFFAOYSA-N 0 0 384.417 3.606 50 5 GHBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1cccc(Cl)c1F ZINC000007963215 920716480 /nfs/dbraw/zinc/71/64/80/920716480.db2.gz XWDWNVKCKLNKGC-SNAWJCMRSA-N 0 0 378.743 3.906 50 5 GHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012989601 928398774 /nfs/dbraw/zinc/39/87/74/928398774.db2.gz UWIUMSMADLDYAR-YOCVDRLZSA-N 0 0 380.400 3.743 50 5 GHBARN Cc1nn(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1Br ZINC000002794471 209116628 /nfs/dbraw/zinc/11/66/28/209116628.db2.gz XUOUGVKXKWCUOQ-QMMMGPOBSA-N 0 0 399.220 3.585 50 5 GHBARN CCOC(=O)CSc1nnc(-c2cccc(C)c2[N+](=O)[O-])n1-c1ccccc1 ZINC000000834872 206326380 /nfs/dbraw/zinc/32/63/80/206326380.db2.gz XPFSIYAWLBMYBW-UHFFFAOYSA-N 0 0 398.444 3.806 50 5 GHBARN O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000895270 206331839 /nfs/dbraw/zinc/33/18/39/206331839.db2.gz GBNPQOFDPICNCA-UHFFFAOYSA-N 0 0 382.416 3.608 50 5 GHBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(O)cc1 ZINC000000850640 206328035 /nfs/dbraw/zinc/32/80/35/206328035.db2.gz HXSOZEPWPTVYBO-UHFFFAOYSA-N 0 0 376.324 3.893 50 5 GHBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000862926 206329024 /nfs/dbraw/zinc/32/90/24/206329024.db2.gz FFIPPNAYZWMCQE-UHFFFAOYSA-N 0 0 398.806 3.623 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccc(F)cc1 ZINC000009641726 206334955 /nfs/dbraw/zinc/33/49/55/206334955.db2.gz AJIBDOJTNNGEIW-UHFFFAOYSA-N 0 0 378.303 3.640 50 5 GHBARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001005055 206340638 /nfs/dbraw/zinc/34/06/38/206340638.db2.gz WUUPEKZYYNJLBP-CXUHLZMHSA-N 0 0 386.385 3.506 50 5 GHBARN COc1ccccc1/C=C1/SC(=O)N(CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000001029801 206343345 /nfs/dbraw/zinc/34/33/45/206343345.db2.gz PWDYWHPPUGEHSK-CXUHLZMHSA-N 0 0 385.401 3.709 50 5 GHBARN CCn1c(COc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001069820 206348193 /nfs/dbraw/zinc/34/81/93/206348193.db2.gz ADZYJHMZOKZOSJ-UHFFFAOYSA-N 0 0 398.444 3.760 50 5 GHBARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 ZINC000001143139 206358441 /nfs/dbraw/zinc/35/84/41/206358441.db2.gz OWMJIFZLWAKKIZ-GOSISDBHSA-N 0 0 380.429 3.864 50 5 GHBARN COc1ccc(Cc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 ZINC000001157289 206360743 /nfs/dbraw/zinc/36/07/43/206360743.db2.gz FIYHJBMFYFESMN-UHFFFAOYSA-N 0 0 384.417 3.606 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000001166837 206362647 /nfs/dbraw/zinc/36/26/47/206362647.db2.gz HGOSLSUFSHDSEU-UHFFFAOYSA-N 0 0 375.812 3.866 50 5 GHBARN COc1cc(C(=O)Nc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000001188734 206365824 /nfs/dbraw/zinc/36/58/24/206365824.db2.gz BWOKGQOTSSHUQD-UHFFFAOYSA-N 0 0 395.209 3.935 50 5 GHBARN O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000002028456 206395619 /nfs/dbraw/zinc/39/56/19/206395619.db2.gz AGBZKYMOVOEFJT-UHFFFAOYSA-N 0 0 387.743 3.829 50 5 GHBARN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000002708966 206430003 /nfs/dbraw/zinc/43/00/03/206430003.db2.gz OSWDIGGVERPHDC-YBEGLDIGSA-N 0 0 398.396 3.618 50 5 GHBARN COc1nn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000002498224 206420484 /nfs/dbraw/zinc/42/04/84/206420484.db2.gz FOKBOFKXDHMHGE-UHFFFAOYSA-N 0 0 385.327 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O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000012522936 570829459 /nfs/dbraw/zinc/82/94/59/570829459.db2.gz FCDBVAYHTWYPBW-UHFFFAOYSA-N 0 0 390.443 3.676 50 5 GHBARN O=C(Nc1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004713205 570855872 /nfs/dbraw/zinc/85/58/72/570855872.db2.gz UKNKNMGNJASZDH-UHFFFAOYSA-N 0 0 396.781 3.881 50 5 GHBARN COc1ccc(-c2cc(COC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)on2)cc1 ZINC000011235262 570887142 /nfs/dbraw/zinc/88/71/42/570887142.db2.gz CFSFEFSUZKBNSI-UHFFFAOYSA-N 0 0 397.387 3.681 50 5 GHBARN O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004740936 570957827 /nfs/dbraw/zinc/95/78/27/570957827.db2.gz MORBNAIGVZAPFJ-UHFFFAOYSA-N 0 0 385.367 3.638 50 5 GHBARN O=C(c1ccccc1F)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000007596487 570963112 /nfs/dbraw/zinc/96/31/12/570963112.db2.gz QJLRSISYHAKYOE-UHFFFAOYSA-N 0 0 382.351 3.589 50 5 GHBARN CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000002501368 570972430 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GHBARN C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 ZINC000002809573 861638258 /nfs/dbraw/zinc/63/82/58/861638258.db2.gz IIWDLYNKVSVNGO-ZDUSSCGKSA-N 0 0 384.823 3.984 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ncnc2ccccc21 ZINC000003253519 862284598 /nfs/dbraw/zinc/28/45/98/862284598.db2.gz NDBXEBDSQNZJJS-NSHDSACASA-N 0 0 384.417 3.666 50 5 GHBARN COc1cc(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1OC ZINC000003362817 862366351 /nfs/dbraw/zinc/36/63/51/862366351.db2.gz YEJOTQROJXRDMM-UHFFFAOYSA-N 0 0 388.420 3.809 50 5 GHBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000003512306 862461710 /nfs/dbraw/zinc/46/17/10/862461710.db2.gz CQEGNZTWLKXVLZ-UHFFFAOYSA-N 0 0 386.363 3.741 50 5 GHBARN COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000253470559 855326325 /nfs/dbraw/zinc/32/63/25/855326325.db2.gz GOLGYVXHGBXWKC-UHFFFAOYSA-N 0 0 385.376 3.686 50 5 GHBARN Cc1c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000008304315 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3.690 50 5 GHBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1F ZINC000008020184 863002276 /nfs/dbraw/zinc/00/22/76/863002276.db2.gz AXILYTUDGMOZEP-CYBMUJFWSA-N 0 0 389.402 3.967 50 5 GHBARN O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc2sccn21 ZINC000225442330 858501529 /nfs/dbraw/zinc/50/15/29/858501529.db2.gz OQHDGAGSOCOSFN-LBPRGKRZSA-N 0 0 398.366 3.901 50 5 GHBARN CCn1ccnc1[C@H]1CCCCN1C(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000225489956 859215398 /nfs/dbraw/zinc/21/53/98/859215398.db2.gz QZKGFUYTALJMBE-GOSISDBHSA-N 0 0 385.468 3.757 50 5 GHBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020149384 860498647 /nfs/dbraw/zinc/49/86/47/860498647.db2.gz JGHHOCDFQYOXHN-QPJJXVBHSA-N 0 0 385.851 3.719 50 5 GHBARN COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000021183521 860736241 /nfs/dbraw/zinc/73/62/41/860736241.db2.gz NIWOCURQDQZMQZ-KRWDZBQOSA-N 0 0 396.852 3.686 50 5 GHBARN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000009190339 898647743 /nfs/dbraw/zinc/64/77/43/898647743.db2.gz RCXRQNYLDKYLFN-UHFFFAOYSA-N 0 0 388.855 3.561 50 5 GHBARN O=C(N[C@@H]1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009871500 898723134 /nfs/dbraw/zinc/72/31/34/898723134.db2.gz KROZQXSFKXISQI-UXHICEINSA-N 0 0 387.395 3.743 50 5 GHBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000000754561 918040614 /nfs/dbraw/zinc/04/06/14/918040614.db2.gz PDERQCARAKXNEU-UHFFFAOYSA-N 0 0 379.210 3.992 50 5 GHBARN CC(=O)Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1 ZINC000000837260 206326594 /nfs/dbraw/zinc/32/65/94/206326594.db2.gz MUXUDKOBLXKSNI-UHFFFAOYSA-N 0 0 375.340 3.507 50 5 GHBARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000000849413 206327709 /nfs/dbraw/zinc/32/77/09/206327709.db2.gz WPLJUYQKAYJJNP-UHFFFAOYSA-N 0 0 375.812 3.646 50 5 GHBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000009485439 206329936 /nfs/dbraw/zinc/32/99/36/206329936.db2.gz DIARKECIHIZWIR-UHFFFAOYSA-N 0 0 383.433 3.604 50 5 GHBARN CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)oc2ccccc2c1OC(C)=O ZINC000001041299 206344338 /nfs/dbraw/zinc/34/43/38/206344338.db2.gz DWIPOVRLZXACPE-QGZVFWFLSA-N 0 0 395.367 3.738 50 5 GHBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000001057952 206346818 /nfs/dbraw/zinc/34/68/18/206346818.db2.gz JIPOZOMPNJLJOG-UHFFFAOYSA-N 0 0 394.416 3.577 50 5 GHBARN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000001130283 206357724 /nfs/dbraw/zinc/35/77/24/206357724.db2.gz MLSAFQICLFGUTE-UHFFFAOYSA-N 0 0 384.461 3.630 50 5 GHBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Br ZINC000001159611 206362483 /nfs/dbraw/zinc/36/24/83/206362483.db2.gz GHXMRNMZAZRZGE-UHFFFAOYSA-N 0 0 379.210 3.992 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001205577 206366465 /nfs/dbraw/zinc/36/64/65/206366465.db2.gz IUBPZIHQJXMMJC-UHFFFAOYSA-N 0 0 390.355 3.816 50 5 GHBARN COc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)sc2c1 ZINC000002055599 206396935 /nfs/dbraw/zinc/39/69/35/206396935.db2.gz YLEHAGHOCOYJRD-UHFFFAOYSA-N 0 0 388.361 3.682 50 5 GHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000002780121 206434459 /nfs/dbraw/zinc/43/44/59/206434459.db2.gz FOWUBYJGOGAFPE-UHFFFAOYSA-N 0 0 380.154 3.826 50 5 GHBARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1C ZINC000004307619 206513188 /nfs/dbraw/zinc/51/31/88/206513188.db2.gz QXXOSOAHVKEZQN-UHFFFAOYSA-N 0 0 385.351 3.655 50 5 GHBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006045566 206637251 /nfs/dbraw/zinc/63/72/51/206637251.db2.gz YQVFLRXCURQLAA-LLVKDONJSA-N 0 0 387.461 3.913 50 5 GHBARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000006203569 206643718 /nfs/dbraw/zinc/64/37/18/206643718.db2.gz CADNDLAGCNNZIW-UHFFFAOYSA-N 0 0 384.417 3.992 50 5 GHBARN C[C@H]1CCc2c(sc3ncnc(NC[C@@H](O)c4ccc([N+](=O)[O-])cc4)c23)C1 ZINC000015207078 207048351 /nfs/dbraw/zinc/04/83/51/207048351.db2.gz GKUKSFINLCZFRC-XHDPSFHLSA-N 0 0 384.461 3.870 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccc(F)c1 ZINC000015831772 207063826 /nfs/dbraw/zinc/06/38/26/207063826.db2.gz HRVNKXATYFMSOP-UHFFFAOYSA-N 0 0 384.363 3.935 50 5 GHBARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868265 207066542 /nfs/dbraw/zinc/06/65/42/207066542.db2.gz STIRZHFKRVMWEU-ZDUSSCGKSA-N 0 0 389.371 3.704 50 5 GHBARN COc1ccccc1NC(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000017163108 207087091 /nfs/dbraw/zinc/08/70/91/207087091.db2.gz VEOXOLUCULVBBS-UHFFFAOYSA-N 0 0 385.405 3.690 50 5 GHBARN O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019911880 207169424 /nfs/dbraw/zinc/16/94/24/207169424.db2.gz HSOZQDGLGXAATC-CYBMUJFWSA-N 0 0 380.659 3.507 50 5 GHBARN O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000020462925 207196818 /nfs/dbraw/zinc/19/68/18/207196818.db2.gz XJPOYXWMAMNWGR-INIZCTEOSA-N 0 0 383.385 3.816 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023732766 207282880 /nfs/dbraw/zinc/28/28/80/207282880.db2.gz DANWQZKDYAGLGE-ZDUSSCGKSA-N 0 0 380.370 3.892 50 5 GHBARN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccs1 ZINC000026802757 207319738 /nfs/dbraw/zinc/31/97/38/207319738.db2.gz DQRMBIQRCIQEKX-SFHVURJKSA-N 0 0 389.477 3.620 50 5 GHBARN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000095433727 208182453 /nfs/dbraw/zinc/18/24/53/208182453.db2.gz JEINJKWIPMZIFG-OAQYLSRUSA-N 0 0 396.468 3.998 50 5 GHBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000100550848 208376491 /nfs/dbraw/zinc/37/64/91/208376491.db2.gz ZXVYGMOTGNVUCI-QZTJIDSGSA-N 0 0 391.427 3.705 50 5 GHBARN CCCCc1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000058161903 208857082 /nfs/dbraw/zinc/85/70/82/208857082.db2.gz MPZNDXVIFSQDIL-UHFFFAOYSA-N 0 0 395.257 3.641 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000032678689 208987799 /nfs/dbraw/zinc/98/77/99/208987799.db2.gz GMQBNYKIKWTLJQ-UHFFFAOYSA-N 0 0 388.767 3.696 50 5 GHBARN CS(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c([N+](=O)[O-])c1 ZINC000007983910 533451771 /nfs/dbraw/zinc/45/17/71/533451771.db2.gz FSFABWWIMXUINU-UHFFFAOYSA-N 0 0 390.186 3.692 50 5 GHBARN O=[N+]([O-])c1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 ZINC000095080973 136177685 /nfs/dbraw/zinc/17/76/85/136177685.db2.gz KVOLQMMFDOZTBA-UHFFFAOYSA-N 0 0 376.254 3.680 50 5 GHBARN O=C(Nc1ccnc(C2CCCC2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000096006627 136183237 /nfs/dbraw/zinc/18/32/37/136183237.db2.gz CYYAAXPPVUEFFJ-UHFFFAOYSA-N 0 0 395.463 3.898 50 5 GHBARN CNc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000012808744 570222298 /nfs/dbraw/zinc/22/22/98/570222298.db2.gz DRQXDHCJSOBTJZ-UHFFFAOYSA-N 0 0 393.399 3.733 50 5 GHBARN CCOc1ccc([C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012879066 570275913 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O=C(Cc1cccc(F)c1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000013006130 570415501 /nfs/dbraw/zinc/41/55/01/570415501.db2.gz PFMZVMGSTLRBHC-UHFFFAOYSA-N 0 0 396.378 3.518 50 5 GHBARN O=c1cc(CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc2sccn21 ZINC000002626361 570422832 /nfs/dbraw/zinc/42/28/32/570422832.db2.gz BBDQCRYDLZFAGX-UHFFFAOYSA-N 0 0 387.364 3.975 50 5 GHBARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006461146 570440020 /nfs/dbraw/zinc/44/00/20/570440020.db2.gz DAEWBKONNJCALS-UHFFFAOYSA-N 0 0 391.383 3.865 50 5 GHBARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000006475953 570446440 /nfs/dbraw/zinc/44/64/40/570446440.db2.gz AYBPULWBYWRCMO-UHFFFAOYSA-N 0 0 390.395 3.986 50 5 GHBARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O[C@@H](C)C1=O ZINC000035873958 570469279 /nfs/dbraw/zinc/46/92/79/570469279.db2.gz JSLWMCBFMBLVEG-KBPBESRZSA-N 0 0 397.431 3.755 50 5 GHBARN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000013330029 570489883 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CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000012557954 570860108 /nfs/dbraw/zinc/86/01/08/570860108.db2.gz VFENXUORTXVUSN-UHFFFAOYSA-N 0 0 376.416 3.672 50 5 GHBARN C[C@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007526241 570868757 /nfs/dbraw/zinc/86/87/57/570868757.db2.gz SFIHPIFGKVQJAY-GXSJLCMTSA-N 0 0 376.404 3.983 50 5 GHBARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000157289325 570887815 /nfs/dbraw/zinc/88/78/15/570887815.db2.gz NEPRVKFQEBKBIH-GOSISDBHSA-N 0 0 394.431 3.950 50 5 GHBARN COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1C ZINC000017016844 570924242 /nfs/dbraw/zinc/92/42/42/570924242.db2.gz SCYAIWBUUIRESM-UHFFFAOYSA-N 0 0 387.373 3.659 50 5 GHBARN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2ccc(O)cc2C1 ZINC000051343598 570949260 /nfs/dbraw/zinc/94/92/60/570949260.db2.gz IDFCDDNDNAWTPI-UHFFFAOYSA-N 0 0 381.413 3.622 50 5 GHBARN Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000012751434 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570799504 /nfs/dbraw/zinc/79/95/04/570799504.db2.gz XZVMTQVXBDHNLE-ZDUSSCGKSA-N 0 0 385.445 3.966 50 5 GHBARN O=C(OCCOc1ccccc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000005968749 570810108 /nfs/dbraw/zinc/81/01/08/570810108.db2.gz RTQZFKPZQANZGY-UHFFFAOYSA-N 0 0 388.395 3.573 50 5 GHBARN O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000007246431 570818876 /nfs/dbraw/zinc/81/88/76/570818876.db2.gz CITSEFHEIGEUHI-UHFFFAOYSA-N 0 0 383.335 3.509 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C ZINC000032801594 570820341 /nfs/dbraw/zinc/82/03/41/570820341.db2.gz KLWMSZMXOGZPPZ-AWEZNQCLSA-N 0 0 394.431 3.897 50 5 GHBARN Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004707820 570842874 /nfs/dbraw/zinc/84/28/74/570842874.db2.gz CJIWFWOQBLTCAI-UHFFFAOYSA-N 0 0 399.491 3.895 50 5 GHBARN C[C@@H]1CC(=O)N(c2ccc(NCCSCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000102603514 570854083 /nfs/dbraw/zinc/85/40/83/570854083.db2.gz QNYNIUGSPLCVIJ-CQSZACIVSA-N 0 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ZINC000252452856 570958532 /nfs/dbraw/zinc/95/85/32/570958532.db2.gz INLWCXGISCVTKV-UHFFFAOYSA-N 0 0 376.416 3.536 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 ZINC000007594287 570961042 /nfs/dbraw/zinc/96/10/42/570961042.db2.gz QLJPANZZTSQFQG-UHFFFAOYSA-N 0 0 381.363 3.505 50 5 GHBARN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1c(F)cccc1F ZINC000170659750 571000538 /nfs/dbraw/zinc/00/05/38/571000538.db2.gz UQBZWOLHHNRCBA-GFCCVEGCSA-N 0 0 399.300 3.692 50 5 GHBARN CC1(C)Cc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)CO1 ZINC000002206260 571004689 /nfs/dbraw/zinc/00/46/89/571004689.db2.gz IFBVNQXWQDGBKV-UHFFFAOYSA-N 0 0 381.417 3.766 50 5 GHBARN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1Cl ZINC000007656288 571012450 /nfs/dbraw/zinc/01/24/50/571012450.db2.gz GZBOJJYQEUNGJJ-UHFFFAOYSA-N 0 0 377.715 3.794 50 5 GHBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2Br)CC1 ZINC000002501683 861219616 /nfs/dbraw/zinc/21/96/16/861219616.db2.gz ZNOKNKFFEBRSFY-UHFFFAOYSA-N 0 0 390.281 3.675 50 5 GHBARN CCOc1cc(N2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000225647709 861232373 /nfs/dbraw/zinc/23/23/73/861232373.db2.gz YYZPUUMALKNKTL-UHFFFAOYSA-N 0 0 391.468 3.973 50 5 GHBARN CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000098053344 842551695 /nfs/dbraw/zinc/55/16/95/842551695.db2.gz RTTDSYYZRMTADP-UQTJOTSZSA-N 0 0 384.388 3.577 50 5 GHBARN COc1ccc(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000055851811 861327870 /nfs/dbraw/zinc/32/78/70/861327870.db2.gz HEZHNHFLXTZXBT-UHFFFAOYSA-N 0 0 378.812 3.798 50 5 GHBARN CN(Cc1ccc([N+](=O)[O-])cc1)C1(c2nnnn2-c2ccccc2)CCCCC1 ZINC000005032359 843397811 /nfs/dbraw/zinc/39/78/11/843397811.db2.gz SLTLURVHQIFODL-UHFFFAOYSA-N 0 0 392.463 3.862 50 5 GHBARN COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000002741438 861566066 /nfs/dbraw/zinc/56/60/66/861566066.db2.gz BRGPYBNVEVUCJL-UHFFFAOYSA-N 0 0 385.401 3.988 50 5 GHBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000008757113 856348735 /nfs/dbraw/zinc/34/87/35/856348735.db2.gz XCLKXCOYXVGIKS-UHFFFAOYSA-N 0 0 389.481 3.875 50 5 GHBARN Cc1sc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1 ZINC000040130882 856674313 /nfs/dbraw/zinc/67/43/13/856674313.db2.gz XOPQRBFTGDZTHT-UHFFFAOYSA-N 0 0 387.392 3.571 50 5 GHBARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004176004 862840838 /nfs/dbraw/zinc/84/08/38/862840838.db2.gz OFQYLOVOBWFTPP-UHFFFAOYSA-N 0 0 396.428 3.788 50 5 GHBARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000004223283 862882649 /nfs/dbraw/zinc/88/26/49/862882649.db2.gz JAWMEESYXCUCCG-UHFFFAOYSA-N 0 0 396.428 3.788 50 5 GHBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000009699811 857317001 /nfs/dbraw/zinc/31/70/01/857317001.db2.gz ISBKRPOHHPVAGW-NSHDSACASA-N 0 0 393.321 3.605 50 5 GHBARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004248747 862901820 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398.644 3.853 50 5 GHBARN C[C@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000004560755 570886123 /nfs/dbraw/zinc/88/61/23/570886123.db2.gz CXRINPODNWAEBE-LLVKDONJSA-N 0 0 378.226 3.588 50 5 GHBARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004577091 570894022 /nfs/dbraw/zinc/89/40/22/570894022.db2.gz GKYOMCNAKIURLU-CPNJWEJPSA-N 0 0 391.383 3.906 50 5 GHBARN Cc1c(C(=O)Nc2ccc(I)cc2)cccc1[N+](=O)[O-] ZINC000001230566 570898577 /nfs/dbraw/zinc/89/85/77/570898577.db2.gz OQYMTQKQOFSTQB-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN COc1cc(NC(=O)COC(=O)c2oc3ccccc3c2C)c(C)cc1[N+](=O)[O-] ZINC000004581884 570913204 /nfs/dbraw/zinc/91/32/04/570913204.db2.gz ZGODRWKPHCZCLD-UHFFFAOYSA-N 0 0 398.371 3.762 50 5 GHBARN CCc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc21 ZINC000004583475 570915507 /nfs/dbraw/zinc/91/55/07/570915507.db2.gz YCLRNWOCPFQJKU-UHFFFAOYSA-N 0 0 396.472 3.729 50 5 GHBARN O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000017169597 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3.784 50 5 GHBARN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1OC ZINC000002709010 861521068 /nfs/dbraw/zinc/52/10/68/861521068.db2.gz UABJURUGPCIYDM-UHFFFAOYSA-N 0 0 386.433 3.700 50 5 GHBARN CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002899628 861757913 /nfs/dbraw/zinc/75/79/13/861757913.db2.gz LIASEEWTVOAEPZ-UHFFFAOYSA-N 0 0 393.421 3.744 50 5 GHBARN O=C(NCCNc1nc2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030670991 862340198 /nfs/dbraw/zinc/34/01/98/862340198.db2.gz ZLCUZRACDQFHBV-UHFFFAOYSA-N 0 0 376.825 3.700 50 5 GHBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(F)c(F)cc1Cl ZINC000003326890 862342133 /nfs/dbraw/zinc/34/21/33/862342133.db2.gz JPOOJWCRNCZBMR-UHFFFAOYSA-N 0 0 385.706 3.750 50 5 GHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000003832689 862595796 /nfs/dbraw/zinc/59/57/96/862595796.db2.gz XBZUQBWDEMJZCA-UHFFFAOYSA-N 0 0 397.412 3.648 50 5 GHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110659 856666296 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3.646 50 5 GHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCOc2ccccc2)CC1 ZINC000013039978 899069824 /nfs/dbraw/zinc/06/98/24/899069824.db2.gz YOFPVESWTBMYBQ-UHFFFAOYSA-N 0 0 395.381 3.815 50 5 GHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000058357526 900913141 /nfs/dbraw/zinc/91/31/41/900913141.db2.gz RPLDLBOYCUVTKD-UHFFFAOYSA-N 0 0 375.287 3.510 50 5 GHBARN O=C(C=Cc1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(Br)c1 ZINC000003247454 901079782 /nfs/dbraw/zinc/07/97/82/901079782.db2.gz XVENIRGVHRFSIR-BQYQJAHWSA-N 0 0 390.189 3.797 50 5 GHBARN Cc1c(C(=O)OCC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000001150810 209115399 /nfs/dbraw/zinc/11/53/99/209115399.db2.gz LAAACWVRMCLMDP-UHFFFAOYSA-N 0 0 378.178 3.705 50 5 GHBARN COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000006343387 206230670 /nfs/dbraw/zinc/23/06/70/206230670.db2.gz PEUFKXKSJXDDHP-JTQLQIEISA-N 0 0 379.210 3.857 50 5 GHBARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 ZINC000334162076 206255539 /nfs/dbraw/zinc/25/55/39/206255539.db2.gz JAVCYCGGUAATTA-KRWDZBQOSA-N 0 0 396.403 3.781 50 5 GHBARN O=C(COc1cc(O)c2c(c1)oc1ccccc1c2=O)OCc1ccccc1 ZINC000004083994 206293777 /nfs/dbraw/zinc/29/37/77/206293777.db2.gz JJQXIGGGPVIKQS-UHFFFAOYSA-N 0 0 376.364 3.774 50 5 biogenic GHBARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C ZINC000000862347 206329507 /nfs/dbraw/zinc/32/95/07/206329507.db2.gz HFYSXIRAXRPCSL-SFHVURJKSA-N 0 0 387.436 3.831 50 5 GHBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000009434078 206334227 /nfs/dbraw/zinc/33/42/27/206334227.db2.gz PTYYVOJXNWDESL-GORDUTHDSA-N 0 0 376.375 3.826 50 5 GHBARN CCOC(=O)c1c(C)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2cc(O)cc(C)c12 ZINC000000975460 206338273 /nfs/dbraw/zinc/33/82/73/206338273.db2.gz MASRFBMAYPEWRI-GOSISDBHSA-N 0 0 398.415 3.782 50 5 GHBARN O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001127781 206356377 /nfs/dbraw/zinc/35/63/77/206356377.db2.gz YXIHCHZKQAYGIS-OAHLLOKOSA-N 0 0 376.796 3.949 50 5 GHBARN CCOC(=O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000001295207 206371606 /nfs/dbraw/zinc/37/16/06/206371606.db2.gz NGYHXEWVNZXDOL-UHFFFAOYSA-N 0 0 376.372 3.797 50 5 GHBARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001407026 206379449 /nfs/dbraw/zinc/37/94/49/206379449.db2.gz SXBKHCKYXITRLU-UHFFFAOYSA-N 0 0 393.399 3.944 50 5 GHBARN O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccccc1[N+](=O)[O-] ZINC000001147468 206359581 /nfs/dbraw/zinc/35/95/81/206359581.db2.gz CBBBNEDZUISKOK-UHFFFAOYSA-N 0 0 379.401 3.771 50 5 GHBARN COc1ccc(C(=S)N2CCCC2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001156791 206360725 /nfs/dbraw/zinc/36/07/25/206360725.db2.gz MMDWOVYGAOXBCE-UHFFFAOYSA-N 0 0 386.429 3.594 50 5 GHBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001198956 206366806 /nfs/dbraw/zinc/36/68/06/206366806.db2.gz GAJKCGFSFQYWRB-UHFFFAOYSA-N 0 0 379.338 3.576 50 5 GHBARN Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002796411 206436031 /nfs/dbraw/zinc/43/60/31/206436031.db2.gz WSDAOJTUWGOXRE-UHFFFAOYSA-N 0 0 390.749 3.592 50 5 GHBARN COc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000002796530 206436085 /nfs/dbraw/zinc/43/60/85/206436085.db2.gz MKMYQQPADUPEQL-UHFFFAOYSA-N 0 0 386.795 3.754 50 5 GHBARN CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003878133 206494733 /nfs/dbraw/zinc/49/47/33/206494733.db2.gz RJWXQVLZDKIJBS-BJMVGYQFSA-N 0 0 389.408 3.659 50 5 GHBARN COc1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000003443032 206481398 /nfs/dbraw/zinc/48/13/98/206481398.db2.gz XQGBDKJWJOZSKQ-UHFFFAOYSA-N 0 0 380.784 3.591 50 5 GHBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000004185212 206507981 /nfs/dbraw/zinc/50/79/81/206507981.db2.gz JCONHOUABHYYRS-UHFFFAOYSA-N 0 0 378.226 3.589 50 5 GHBARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005829165 206629350 /nfs/dbraw/zinc/62/93/50/206629350.db2.gz WCKLDSPQUFHICZ-UHFFFAOYSA-N 0 0 387.446 3.921 50 5 GHBARN COc1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c([N+](=O)[O-])c1 ZINC000006602818 206656821 /nfs/dbraw/zinc/65/68/21/206656821.db2.gz ZUZKNBDJLYXJBP-UHFFFAOYSA-N 0 0 384.388 3.925 50 5 GHBARN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000012799310 206939647 /nfs/dbraw/zinc/93/96/47/206939647.db2.gz SHLJIZQGTDYFBY-SFHVURJKSA-N 0 0 390.461 3.746 50 5 GHBARN CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000016196656 207073920 /nfs/dbraw/zinc/07/39/20/207073920.db2.gz UJAGMJMFYLUNJO-SECBINFHSA-N 0 0 395.824 3.549 50 5 GHBARN CC(C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000017128636 207085049 /nfs/dbraw/zinc/08/50/49/207085049.db2.gz HUMRFLYMKMGJSI-UHFFFAOYSA-N 0 0 378.432 3.762 50 5 GHBARN CC(C)Cc1ccc(C(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000019834679 207164498 /nfs/dbraw/zinc/16/44/98/207164498.db2.gz ZRMFWGOXTHGMOK-KRWDZBQOSA-N 0 0 396.491 3.582 50 5 GHBARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)c([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000020319754 207188007 /nfs/dbraw/zinc/18/80/07/207188007.db2.gz VGNGIGJQUCYHIU-QGZVFWFLSA-N 0 0 384.392 3.957 50 5 GHBARN O=C(NC[C@@H]1CCCO1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020643542 207208732 /nfs/dbraw/zinc/20/87/32/207208732.db2.gz RQMSRRDKAFRGBX-ZDUSSCGKSA-N 0 0 378.457 3.607 50 5 GHBARN CCc1ccc2nc(-c3ccc(Cl)cc3)c3c(=O)n(C)c(=O)n(C)c3c2c1 ZINC000012413491 207305915 /nfs/dbraw/zinc/30/59/15/207305915.db2.gz SGDRXLKEROYYFM-UHFFFAOYSA-N 0 0 379.847 3.668 50 5 GHBARN O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000040106729 207341252 /nfs/dbraw/zinc/34/12/52/207341252.db2.gz YXSIMPSYBYZVPD-UHFFFAOYSA-N 0 0 375.384 3.777 50 5 GHBARN Cc1nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n(CC(C)C)c1C ZINC000078768243 208063557 /nfs/dbraw/zinc/06/35/57/208063557.db2.gz GRGSIVOBPJDQBZ-QGZVFWFLSA-N 0 0 388.493 3.962 50 5 GHBARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000079056813 208070526 /nfs/dbraw/zinc/07/05/26/208070526.db2.gz REQSHHWLBAQNNL-OAHLLOKOSA-N 0 0 390.399 3.673 50 5 GHBARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000079056812 208071469 /nfs/dbraw/zinc/07/14/69/208071469.db2.gz REQSHHWLBAQNNL-HNNXBMFYSA-N 0 0 390.399 3.673 50 5 GHBARN C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000084640129 208095990 /nfs/dbraw/zinc/09/59/90/208095990.db2.gz JHRZIJDAALGWHQ-LLVKDONJSA-N 0 0 391.474 3.824 50 5 GHBARN O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089866576 208111392 /nfs/dbraw/zinc/11/13/92/208111392.db2.gz CUIKAAOCPGOTTI-UHFFFAOYSA-N 0 0 376.416 3.804 50 5 GHBARN CCn1nc(C(=O)NCc2cccnc2)c(C)c1Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000096203784 208287396 /nfs/dbraw/zinc/28/73/96/208287396.db2.gz OIEQPUDYBGBWIK-UHFFFAOYSA-N 0 0 395.419 3.545 50 5 GHBARN COc1cc(C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000011763314 208764598 /nfs/dbraw/zinc/76/45/98/208764598.db2.gz YBSNFQFXVVNHBX-UHFFFAOYSA-N 0 0 386.738 3.788 50 5 GHBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000029738853 208968999 /nfs/dbraw/zinc/96/89/99/208968999.db2.gz GIJXTGWMWKPHQQ-MRXNPFEDSA-N 0 0 384.417 3.528 50 5 GHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2Cl)NC(=O)N1 ZINC000006046159 220913955 /nfs/dbraw/zinc/91/39/55/220913955.db2.gz GUKNWLRBERSTGO-INIZCTEOSA-N 0 0 386.795 3.515 50 5 GHBARN COc1ccc2c(c1)N(C(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])CCO2 ZINC000253427055 209040889 /nfs/dbraw/zinc/04/08/89/209040889.db2.gz KUYCNZXNFZIWPO-UHFFFAOYSA-N 0 0 391.383 3.705 50 5 GHBARN O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000069371316 136165136 /nfs/dbraw/zinc/16/51/36/136165136.db2.gz GFKWEHBYOULRHP-SFHVURJKSA-N 0 0 388.427 4.000 50 5 GHBARN O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006236783 136195107 /nfs/dbraw/zinc/19/51/07/136195107.db2.gz QMIVXIYNNREBKW-UHFFFAOYSA-N 0 0 385.489 3.888 50 5 GHBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1Cc1ccccc1Cl ZINC000025254703 221628288 /nfs/dbraw/zinc/62/82/88/221628288.db2.gz AMFNTAWGCOAHHZ-UHFFFAOYSA-N 0 0 399.834 3.759 50 5 GHBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 ZINC000003322771 526424358 /nfs/dbraw/zinc/42/43/58/526424358.db2.gz UFZTVYQXNUDHHJ-UHFFFAOYSA-N 0 0 383.278 3.837 50 5 GHBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000004305057 570218753 /nfs/dbraw/zinc/21/87/53/570218753.db2.gz OWYDKIYUWPCAIE-IBGZPJMESA-N 0 0 377.400 3.722 50 5 GHBARN COc1ccc(OC)c(CNCc2ccc([N+](=O)[O-])c(OC)c2OC(F)F)c1 ZINC000048365226 570245449 /nfs/dbraw/zinc/24/54/49/570245449.db2.gz NVFCVUUEZWSCSG-UHFFFAOYSA-N 0 0 398.362 3.512 50 5 GHBARN Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000012886103 570285621 /nfs/dbraw/zinc/28/56/21/570285621.db2.gz IHLBSFBTYCNYLO-UHFFFAOYSA-N 0 0 385.464 3.564 50 5 GHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000016282408 570321901 /nfs/dbraw/zinc/32/19/01/570321901.db2.gz RHDCDWAUECNOLL-UHFFFAOYSA-N 0 0 388.767 3.697 50 5 GHBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)NCc1ccccc1 ZINC000004858329 570348050 /nfs/dbraw/zinc/34/80/50/570348050.db2.gz RQFBZQLFQGZZHM-UHFFFAOYSA-N 0 0 389.411 3.801 50 5 GHBARN COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004901182 570360373 /nfs/dbraw/zinc/36/03/73/570360373.db2.gz MNWVQUAAZSTLJE-UHFFFAOYSA-N 0 0 391.427 3.719 50 5 GHBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc2c1OCO2 ZINC000217613187 570371584 /nfs/dbraw/zinc/37/15/84/570371584.db2.gz OTFWZHKEUPDZKB-UHFFFAOYSA-N 0 0 375.340 3.967 50 5 biogenic GHBARN O=C(Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000005059323 570406890 /nfs/dbraw/zinc/40/68/90/570406890.db2.gz OLLDBLAWNWGIIX-UHFFFAOYSA-N 0 0 397.412 3.648 50 5 GHBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)c1 ZINC000005100759 570417457 /nfs/dbraw/zinc/41/74/57/570417457.db2.gz UHCZPJKTINNCMC-HNNXBMFYSA-N 0 0 384.866 3.685 50 5 GHBARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013012686 570417825 /nfs/dbraw/zinc/41/78/25/570417825.db2.gz FHBSHPVAGYPOIW-UHFFFAOYSA-N 0 0 398.440 3.999 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000005121399 570420854 /nfs/dbraw/zinc/42/08/54/570420854.db2.gz RNYIARCIFXXYCO-UHFFFAOYSA-N 0 0 385.239 3.775 50 5 GHBARN COc1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006549632 570473033 /nfs/dbraw/zinc/47/30/33/570473033.db2.gz RPFXDYFKMLCBJQ-UHFFFAOYSA-N 0 0 385.401 3.744 50 5 GHBARN O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn21)c1cccs1 ZINC000005167757 570489755 /nfs/dbraw/zinc/48/97/55/570489755.db2.gz WFCMKLAPBKWQNR-UHFFFAOYSA-N 0 0 397.441 3.736 50 5 GHBARN Nc1nc(NCc2ccc(Cl)cc2)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000005188739 570498350 /nfs/dbraw/zinc/49/83/50/570498350.db2.gz RCMSHSLEXJQTGT-UHFFFAOYSA-N 0 0 376.848 3.613 50 5 GHBARN COc1cc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000005262032 570531790 /nfs/dbraw/zinc/53/17/90/570531790.db2.gz RXUDIRKSQDMIKC-UHFFFAOYSA-N 0 0 395.818 3.775 50 5 GHBARN CN(C)c1ccc(-c2nnc3sc(/C=C/c4ccc([N+](=O)[O-])cc4)nn32)cc1 ZINC000005345583 570557077 /nfs/dbraw/zinc/55/70/77/570557077.db2.gz KYEUQHPIOWSMLJ-LFYBBSHMSA-N 0 0 392.444 3.997 50 5 GHBARN COc1ccc2c(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000006762124 570575650 /nfs/dbraw/zinc/57/56/50/570575650.db2.gz WCUQYUITDYLIAN-UHFFFAOYSA-N 0 0 389.747 3.720 50 5 GHBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032994613 570576139 /nfs/dbraw/zinc/57/61/39/570576139.db2.gz QTFAIHAMJXBMSE-LLVKDONJSA-N 0 0 392.795 3.734 50 5 GHBARN Cc1cccc(-c2noc(CN(C(=O)Cc3ccccc3[N+](=O)[O-])C(C)C)n2)c1 ZINC000005427868 570590809 /nfs/dbraw/zinc/59/08/09/570590809.db2.gz XLMGAJCLKGWCAK-UHFFFAOYSA-N 0 0 394.431 3.933 50 5 GHBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000032999795 570616952 /nfs/dbraw/zinc/61/69/52/570616952.db2.gz AWXSGCGLRUGCRE-GOSISDBHSA-N 0 0 394.452 3.885 50 5 GHBARN COc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000004615253 570671525 /nfs/dbraw/zinc/67/15/25/570671525.db2.gz VBLODYCOJZUJDL-UHFFFAOYSA-N 0 0 380.784 3.835 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1OC ZINC000004842296 570730952 /nfs/dbraw/zinc/73/09/52/570730952.db2.gz VHHWFUJXEOCRCM-UHFFFAOYSA-N 0 0 381.182 3.627 50 5 GHBARN Cc1nc(CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn32)cs1 ZINC000036662683 570783688 /nfs/dbraw/zinc/78/36/88/570783688.db2.gz LZGPOXDURSXXMQ-UHFFFAOYSA-N 0 0 384.446 3.757 50 5 GHBARN O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 ZINC000004457831 570789825 /nfs/dbraw/zinc/78/98/25/570789825.db2.gz OPVWJSWIFMUYFP-WOJGMQOQSA-N 0 0 389.392 3.625 50 5 GHBARN COc1cc(NC(=O)CSc2nc3ccccc3n2C)c(C)cc1[N+](=O)[O-] ZINC000005827399 570795110 /nfs/dbraw/zinc/79/51/10/570795110.db2.gz LFRBOSRHXMZDBI-UHFFFAOYSA-N 0 0 386.433 3.529 50 5 GHBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004683875 570829903 /nfs/dbraw/zinc/82/99/03/570829903.db2.gz VLZZMVQMMOKXBF-IAGOWNOFSA-N 0 0 379.416 3.887 50 5 GHBARN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000007423032 570840741 /nfs/dbraw/zinc/84/07/41/570840741.db2.gz FVXQFCXKVXHDJQ-UHFFFAOYSA-N 0 0 398.824 3.519 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1c2cccc3cccc(c23)S1(=O)=O ZINC000003426193 570866583 /nfs/dbraw/zinc/86/65/83/570866583.db2.gz IKFYGBBKZNBTKU-UHFFFAOYSA-N 0 0 388.788 3.751 50 5 GHBARN O=C(Nc1ccccc1O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012564774 570869756 /nfs/dbraw/zinc/86/97/56/570869756.db2.gz TYCGIWARCGSMSD-UHFFFAOYSA-N 0 0 375.812 3.809 50 5 GHBARN Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-] ZINC000032871784 570873723 /nfs/dbraw/zinc/87/37/23/570873723.db2.gz ITZYZJVMVJLVIO-UHFFFAOYSA-N 0 0 377.404 3.699 50 5 GHBARN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000170619601 570877010 /nfs/dbraw/zinc/87/70/10/570877010.db2.gz OFUZMOAAFDCVSD-UHFFFAOYSA-N 0 0 383.838 3.683 50 5 GHBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(NCCCO)c12 ZINC000004575614 570903866 /nfs/dbraw/zinc/90/38/66/570903866.db2.gz RXTDWJKWZLCIKD-UHFFFAOYSA-N 0 0 386.407 3.735 50 5 GHBARN COc1ccc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc1O ZINC000263585568 570908182 /nfs/dbraw/zinc/90/81/82/570908182.db2.gz KDOCPDGDBDHLIN-UHFFFAOYSA-N 0 0 377.356 3.660 50 5 biogenic GHBARN CCOc1cc(CO)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000004746516 570957852 /nfs/dbraw/zinc/95/78/52/570957852.db2.gz FMPTVBRFHSKACQ-UHFFFAOYSA-N 0 0 382.210 3.827 50 5 GHBARN O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000004777071 570984730 /nfs/dbraw/zinc/98/47/30/570984730.db2.gz IEVNNDSBKDDEAD-OAHLLOKOSA-N 0 0 388.383 3.550 50 5 GHBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(N3CCOCC3)c12 ZINC000004811987 570998839 /nfs/dbraw/zinc/99/88/39/570998839.db2.gz JOUXYGVHBQVQHM-UHFFFAOYSA-N 0 0 398.418 3.778 50 5 GHBARN CC(C)(C)OC(=O)NCC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000084240529 571009956 /nfs/dbraw/zinc/00/99/56/571009956.db2.gz OHXYCSQBUXIPDX-UHFFFAOYSA-N 0 0 378.429 3.554 50 5 GHBARN O=C(CCNc1ccc2ncccc2c1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000084581943 571024679 /nfs/dbraw/zinc/02/46/79/571024679.db2.gz NPAPSTKAAJYKMI-UHFFFAOYSA-N 0 0 376.416 3.924 50 5 GHBARN O=[N+]([O-])c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000055494906 861232445 /nfs/dbraw/zinc/23/24/45/861232445.db2.gz JRFRRVQOXUIFAO-QPJJXVBHSA-N 0 0 382.489 3.623 50 5 GHBARN COc1ccccc1NC(=O)CSc1nccn1-c1ccc([N+](=O)[O-])cc1 ZINC000002723735 861538473 /nfs/dbraw/zinc/53/84/73/861538473.db2.gz SVJGPCNYMSRUQK-UHFFFAOYSA-N 0 0 384.417 3.520 50 5 GHBARN COc1ccccc1NC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079059096 846025812 /nfs/dbraw/zinc/02/58/12/846025812.db2.gz RBVFNEGHTUIWOQ-HNNXBMFYSA-N 0 0 398.463 3.507 50 5 GHBARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002849438 861684449 /nfs/dbraw/zinc/68/44/49/861684449.db2.gz PUNXKQPLJUVOSC-UHFFFAOYSA-N 0 0 397.460 3.528 50 5 GHBARN O=C(Nc1ccc(I)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000002851871 861699590 /nfs/dbraw/zinc/69/95/90/861699590.db2.gz KWYVAYSYZVIZCC-UHFFFAOYSA-N 0 0 383.145 3.843 50 5 GHBARN CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3ccc([N+](=O)[O-])cc3)cc21 ZINC000003194135 862244167 /nfs/dbraw/zinc/24/41/67/862244167.db2.gz XTZSBDUTZIINDT-UHFFFAOYSA-N 0 0 399.355 3.811 50 5 GHBARN C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O ZINC000003305329 862325522 /nfs/dbraw/zinc/32/55/22/862325522.db2.gz GRBCEOVZKBVVEV-DEOSSOPVSA-N 0 0 398.418 3.913 50 5 GHBARN Nc1c(C(=O)NC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003878384 862621264 /nfs/dbraw/zinc/62/12/64/862621264.db2.gz BDBSWBCURNVADB-UHFFFAOYSA-N 0 0 392.371 3.605 50 5 GHBARN COc1ccc2c(c1)oc1nc(C(C)C)n(CCc3ccccc3)c(=O)c1c2=O ZINC000002348079 855277796 /nfs/dbraw/zinc/27/77/96/855277796.db2.gz VVDUHTUIUPXJRE-UHFFFAOYSA-N 0 0 390.439 3.878 50 5 GHBARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 ZINC000004032921 862726925 /nfs/dbraw/zinc/72/69/25/862726925.db2.gz KAVUWBKUSDXQKR-UHFFFAOYSA-N 0 0 399.834 3.679 50 5 GHBARN Cn1nc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000004164394 862832615 /nfs/dbraw/zinc/83/26/15/862832615.db2.gz SIGFRMXLMCAUHJ-UHFFFAOYSA-N 0 0 387.399 3.516 50 5 GHBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c(OC)c1 ZINC000004174120 862840664 /nfs/dbraw/zinc/84/06/64/862840664.db2.gz FXQGGLCGJAWQGO-UHFFFAOYSA-N 0 0 375.362 3.581 50 5 GHBARN CSc1nccn1-c1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000042770067 857435790 /nfs/dbraw/zinc/43/57/90/857435790.db2.gz KYLSKYDMTBHKKX-UHFFFAOYSA-N 0 0 382.445 3.775 50 5 GHBARN CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000012804201 859591275 /nfs/dbraw/zinc/59/12/75/859591275.db2.gz MDNKDZRWBFMWJB-UHFFFAOYSA-N 0 0 389.216 3.557 50 5 GHBARN CCOc1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000002466098 898115376 /nfs/dbraw/zinc/11/53/76/898115376.db2.gz KANUFCYZQGJDHF-UHFFFAOYSA-N 0 0 379.298 3.655 50 5 GHBARN CC(=O)Nc1cc(N(C)CCOc2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-] ZINC000012797778 899016183 /nfs/dbraw/zinc/01/61/83/899016183.db2.gz FSEGABJFEIODOM-UHFFFAOYSA-N 0 0 381.791 3.861 50 5 GHBARN CC(C)n1ncc2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cnc21 ZINC000058440498 900913069 /nfs/dbraw/zinc/91/30/69/900913069.db2.gz QCDKSYMOXHFAAZ-UHFFFAOYSA-N 0 0 391.391 3.563 50 5 GHBARN Cc1ccc(OC[C@H]2SCCN2C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000001025315 206341819 /nfs/dbraw/zinc/34/18/19/206341819.db2.gz IIYAOYBFEIQTGA-QGZVFWFLSA-N 0 0 376.409 3.636 50 5 GHBARN CC(=O)c1ccc(Sc2nnc3c4ccccc4n(C)c3n2)c([N+](=O)[O-])c1 ZINC000001068666 206348829 /nfs/dbraw/zinc/34/88/29/206348829.db2.gz XSZJWAIIPDDWMU-UHFFFAOYSA-N 0 0 379.401 3.779 50 5 GHBARN Cc1nn(C)cc1CN(C)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000001139062 206358336 /nfs/dbraw/zinc/35/83/36/206358336.db2.gz ZZWNLDZZBLNAAT-UHFFFAOYSA-N 0 0 378.841 3.777 50 5 GHBARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001308451 206371518 /nfs/dbraw/zinc/37/15/18/206371518.db2.gz VSLSEMVPQLRCCB-UHFFFAOYSA-N 0 0 380.356 3.906 50 5 GHBARN COc1ccc(CCNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000001316241 206372185 /nfs/dbraw/zinc/37/21/85/206372185.db2.gz NXIUXZBNOGSHCZ-UHFFFAOYSA-N 0 0 396.399 3.845 50 5 GHBARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002102656 206399573 /nfs/dbraw/zinc/39/95/73/206399573.db2.gz HTNJBKDPEMVSKK-UHFFFAOYSA-N 0 0 395.375 3.617 50 5 GHBARN O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000002794831 206436140 /nfs/dbraw/zinc/43/61/40/206436140.db2.gz ROAUMZLHMIAANI-UHFFFAOYSA-N 0 0 392.202 3.794 50 5 GHBARN COCCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000002837767 206440283 /nfs/dbraw/zinc/44/02/83/206440283.db2.gz XLKMKCBUXMMRDY-UHFFFAOYSA-N 0 0 384.461 3.716 50 5 GHBARN Cc1cc(C(=O)OCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000003300142 206469543 /nfs/dbraw/zinc/46/95/43/206469543.db2.gz NYMNZJRGNZYXCF-UHFFFAOYSA-N 0 0 380.194 3.902 50 5 GHBARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc([N+](=O)[O-])cc1)CCCC3=O ZINC000004301847 206512612 /nfs/dbraw/zinc/51/26/12/206512612.db2.gz ZIXJDMCOAIZOQS-UHFFFAOYSA-N 0 0 382.401 3.558 50 5 GHBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 ZINC000004306108 206513641 /nfs/dbraw/zinc/51/36/41/206513641.db2.gz TYHXZXBKVLTXQT-UHFFFAOYSA-N 0 0 396.407 3.862 50 5 GHBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000004490098 206524645 /nfs/dbraw/zinc/52/46/45/206524645.db2.gz AIIVZFIEQGDFNN-UHFFFAOYSA-N 0 0 396.378 3.804 50 5 GHBARN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004499350 206524565 /nfs/dbraw/zinc/52/45/65/206524565.db2.gz XHFJBVHVGSMBSK-UHFFFAOYSA-N 0 0 397.328 3.715 50 5 GHBARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000005059550 206588338 /nfs/dbraw/zinc/58/83/38/206588338.db2.gz FGCFYNOOLBRNNM-SFHVURJKSA-N 0 0 396.472 3.643 50 5 GHBARN Cc1ccc(-n2ncc3c4nnc(-c5cccc([N+](=O)[O-])c5)n4cnc32)c(C)c1 ZINC000005218533 206600497 /nfs/dbraw/zinc/60/04/97/206600497.db2.gz HUJDASXUSABDJS-UHFFFAOYSA-N 0 0 385.387 3.655 50 5 GHBARN CSc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000005368147 206609003 /nfs/dbraw/zinc/60/90/03/206609003.db2.gz HPPGLMOVUQLGJM-UHFFFAOYSA-N 0 0 398.799 3.905 50 5 GHBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000007265869 206708068 /nfs/dbraw/zinc/70/80/68/206708068.db2.gz ACSSYXDSBFYSSN-VAWYXSNFSA-N 0 0 381.432 3.794 50 5 GHBARN C[C@H](Sc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007786074 206725571 /nfs/dbraw/zinc/72/55/71/206725571.db2.gz LRSFMDGVCXEWMR-JTQLQIEISA-N 0 0 387.446 3.628 50 5 GHBARN COc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012562394 206912867 /nfs/dbraw/zinc/91/28/67/206912867.db2.gz KYQVSZGSOVLBQO-OAHLLOKOSA-N 0 0 383.448 3.697 50 5 GHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1O ZINC000013946342 207005560 /nfs/dbraw/zinc/00/55/60/207005560.db2.gz JMHZGTAPBSBYMX-UHFFFAOYSA-N 0 0 380.316 3.657 50 5 GHBARN CCCCOC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000016247666 207073996 /nfs/dbraw/zinc/07/39/96/207073996.db2.gz CKXUEGMIYZGNSY-UHFFFAOYSA-N 0 0 386.404 3.707 50 5 GHBARN CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017948718 207090511 /nfs/dbraw/zinc/09/05/11/207090511.db2.gz CFMDQLRTWIXVEB-GASCZTMLSA-N 0 0 384.432 3.838 50 5 GHBARN COCCNc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000021708079 207234870 /nfs/dbraw/zinc/23/48/70/207234870.db2.gz QXRUDOUHVQIPFN-UHFFFAOYSA-N 0 0 395.818 3.718 50 5 GHBARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000024493485 207291709 /nfs/dbraw/zinc/29/17/09/207291709.db2.gz XXISQBNVJOZFQB-UHFFFAOYSA-N 0 0 391.468 3.942 50 5 GHBARN CN(Cc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000025809207 207307322 /nfs/dbraw/zinc/30/73/22/207307322.db2.gz HDPPVGFTSMFFFF-UHFFFAOYSA-N 0 0 393.237 3.856 50 5 GHBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1cccs1 ZINC000029623176 207365838 /nfs/dbraw/zinc/36/58/38/207365838.db2.gz UCPLWLNWDQEHOL-MRXNPFEDSA-N 0 0 387.417 3.716 50 5 GHBARN NC(=O)c1ccc(C(F)(F)F)n(Cc2nc3ccccc3c3ccccc32)c1=O ZINC000031799228 207386080 /nfs/dbraw/zinc/38/60/80/207386080.db2.gz XFBHNWCNHJDTEN-UHFFFAOYSA-N 0 0 397.356 3.716 50 5 GHBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 ZINC000032933521 207421303 /nfs/dbraw/zinc/42/13/03/207421303.db2.gz HKJSJMDFKLURBU-UHFFFAOYSA-N 0 0 377.447 3.514 50 5 GHBARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000016477956 208150203 /nfs/dbraw/zinc/15/02/03/208150203.db2.gz ISSVJQALNOFXIT-ZDUSSCGKSA-N 0 0 397.774 3.603 50 5 GHBARN CC(=O)Nc1cccc([C@H](C)OC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000097096141 208337248 /nfs/dbraw/zinc/33/72/48/208337248.db2.gz ARXFLLAYWXUUJS-LBPRGKRZSA-N 0 0 394.387 3.861 50 5 GHBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000004979690 208664108 /nfs/dbraw/zinc/66/41/08/208664108.db2.gz 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O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004305026 570218393 /nfs/dbraw/zinc/21/83/93/570218393.db2.gz SRQNPSISFSAWKP-LJQANCHMSA-N 0 0 377.400 3.722 50 5 GHBARN O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136900678 570275330 /nfs/dbraw/zinc/27/53/30/570275330.db2.gz VVKQNLZKEFDLTA-KRWDZBQOSA-N 0 0 393.424 3.767 50 5 GHBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 ZINC000012920486 570294109 /nfs/dbraw/zinc/29/41/09/570294109.db2.gz ZXKVUHFPNLJKNN-UHFFFAOYSA-N 0 0 391.383 3.756 50 5 GHBARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840249 570312722 /nfs/dbraw/zinc/31/27/22/570312722.db2.gz OHIKZCKWKUIABV-UHFFFAOYSA-N 0 0 398.415 3.763 50 5 GHBARN CCCCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003193643 570332004 /nfs/dbraw/zinc/33/20/04/570332004.db2.gz APUNHTOSWJMJTC-UHFFFAOYSA-N 0 0 383.360 3.587 50 5 GHBARN CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000004870635 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CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccncc3[N+](=O)[O-])c2)cc1 ZINC000005069038 848782080 /nfs/dbraw/zinc/78/20/80/848782080.db2.gz JMHRRDXKRAWIRL-UHFFFAOYSA-N 0 0 377.356 3.834 50 5 GHBARN CN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000002957308 862064102 /nfs/dbraw/zinc/06/41/02/862064102.db2.gz NUYJQITUFUJQSG-UHFFFAOYSA-N 0 0 377.831 3.773 50 5 GHBARN Cc1cccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000003044970 862137355 /nfs/dbraw/zinc/13/73/55/862137355.db2.gz QOJWLBRYQDOTMJ-UHFFFAOYSA-N 0 0 392.327 3.588 50 5 GHBARN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000057625425 862200670 /nfs/dbraw/zinc/20/06/70/862200670.db2.gz NFTXCLHNKZZHES-MRXNPFEDSA-N 0 0 383.429 3.947 50 5 GHBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000008562414 856264256 /nfs/dbraw/zinc/26/42/56/856264256.db2.gz JEDBJIRKHBXGRT-CYBMUJFWSA-N 0 0 385.420 3.529 50 5 GHBARN CCNc1nnc(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000008937668 856662436 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387.417 3.645 50 5 GHBARN Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC000004858373 570348129 /nfs/dbraw/zinc/34/81/29/570348129.db2.gz XDWINHYRGGWYEW-UHFFFAOYSA-N 0 0 388.855 3.561 50 5 GHBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])C1 ZINC000004868135 570351672 /nfs/dbraw/zinc/35/16/72/570351672.db2.gz QSPWBDDKDUEACT-NSHDSACASA-N 0 0 387.465 3.812 50 5 aggregator GHBARN Cc1cccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1 ZINC000004958741 570381391 /nfs/dbraw/zinc/38/13/91/570381391.db2.gz SINPXQWLGHIEPM-UHFFFAOYSA-N 0 0 394.431 3.933 50 5 GHBARN O=C(Cc1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004997413 570391338 /nfs/dbraw/zinc/39/13/38/570391338.db2.gz DQHZLVUSHZRELB-UHFFFAOYSA-N 0 0 375.428 3.639 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccccc1 ZINC000005029789 570398983 /nfs/dbraw/zinc/39/89/83/570398983.db2.gz DRBUTZOSEQEONR-UHFFFAOYSA-N 0 0 389.477 3.772 50 5 GHBARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])o1 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Cc1cccc(C(=O)OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000013159768 570763822 /nfs/dbraw/zinc/76/38/22/570763822.db2.gz ALGQGKONIPIBKE-SFHVURJKSA-N 0 0 384.432 3.964 50 5 GHBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000005927364 570804454 /nfs/dbraw/zinc/80/44/54/570804454.db2.gz JPDPJBVYSHUKBK-LLVKDONJSA-N 0 0 381.230 3.679 50 5 GHBARN O=C(c1ccc2c3c(cccc31)CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004498463 570808796 /nfs/dbraw/zinc/80/87/96/570808796.db2.gz MBTAXQDQONTXRS-UHFFFAOYSA-N 0 0 387.439 3.809 50 5 GHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CSc3ccccc3)nc21 ZINC000004496615 570812510 /nfs/dbraw/zinc/81/25/10/570812510.db2.gz ILZHMGRRZLONQB-UHFFFAOYSA-N 0 0 375.431 3.944 50 5 GHBARN CC(=O)OCCNc1cc(SC2CCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000004676226 570822383 /nfs/dbraw/zinc/82/23/83/570822383.db2.gz MHIFEIAKFRNTEB-UHFFFAOYSA-N 0 0 380.426 3.531 50 5 GHBARN CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004676053 570822397 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398.394 3.840 50 5 GHBARN CS(=O)(=O)c1cccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000012821424 208775773 /nfs/dbraw/zinc/77/57/73/208775773.db2.gz OGWUZCQIMMYTAF-UHFFFAOYSA-N 0 0 389.216 3.557 50 5 GHBARN CC(=O)c1ccc(NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000012554551 221205617 /nfs/dbraw/zinc/20/56/17/221205617.db2.gz QZBVJLQMMNEXIL-MRXNPFEDSA-N 0 0 386.326 3.951 50 5 GHBARN CCOc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000012856750 221238547 /nfs/dbraw/zinc/23/85/47/221238547.db2.gz WUHRMQXOYPIZAZ-UHFFFAOYSA-N 0 0 399.407 3.580 50 5 GHBARN O=C(OCCOC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000007981087 136195393 /nfs/dbraw/zinc/19/53/93/136195393.db2.gz FOSFHEDNIFEDBR-UHFFFAOYSA-N 0 0 398.415 3.599 50 5 GHBARN COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000004485047 534085247 /nfs/dbraw/zinc/08/52/47/534085247.db2.gz HQABMRFBJGBLJB-UHFFFAOYSA-N 0 0 392.824 3.864 50 5 GHBARN O=C(c1ccc(F)cc1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000007596477 534705305 /nfs/dbraw/zinc/70/53/05/534705305.db2.gz QRUXMOHVFQSJEC-UHFFFAOYSA-N 0 0 382.351 3.589 50 5 GHBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000753665 526629094 /nfs/dbraw/zinc/62/90/94/526629094.db2.gz OOJXRGYCZYLRDC-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN COc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC000048206741 570220717 /nfs/dbraw/zinc/22/07/17/570220717.db2.gz CJDPMTOAFYHJDS-UHFFFAOYSA-N 0 0 391.221 3.785 50 5 GHBARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000006062416 570232484 /nfs/dbraw/zinc/23/24/84/570232484.db2.gz MYQZQHKGZUQHEA-JTQLQIEISA-N 0 0 380.784 3.630 50 5 GHBARN COC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 ZINC000012947980 570317385 /nfs/dbraw/zinc/31/73/85/570317385.db2.gz OLXGTDNLDWPNBL-UHFFFAOYSA-N 0 0 389.751 3.664 50 5 GHBARN CNC(=O)c1ccc(Nc2cc(F)c(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000053574672 570326039 /nfs/dbraw/zinc/32/60/39/570326039.db2.gz WAIWNDYPXUAQMR-UHFFFAOYSA-N 0 0 376.363 3.576 50 5 GHBARN Cc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1Cl ZINC000004950026 570376997 /nfs/dbraw/zinc/37/69/97/570376997.db2.gz FQEZCWLIYJHXDG-UHFFFAOYSA-N 0 0 389.799 3.673 50 5 GHBARN CCc1ccccc1OCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000005013261 570395388 /nfs/dbraw/zinc/39/53/88/570395388.db2.gz YLGHMCSLBHDHML-UHFFFAOYSA-N 0 0 384.417 3.840 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000035714469 570424382 /nfs/dbraw/zinc/42/43/82/570424382.db2.gz YTQPUPQSHQWEAW-UHFFFAOYSA-N 0 0 381.171 3.706 50 5 GHBARN Cc1nn(C(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(C)c1C12CC3CC(CC(C3)C1)C2 ZINC000006525964 570466174 /nfs/dbraw/zinc/46/61/74/570466174.db2.gz KRWOLDCCYQTANU-UHFFFAOYSA-N 0 0 397.479 3.606 50 5 GHBARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 ZINC000006545457 570473839 /nfs/dbraw/zinc/47/38/39/570473839.db2.gz CTXKGVURHOMTAC-UHFFFAOYSA-N 0 0 376.434 3.870 50 5 GHBARN Cn1cc(N2CCC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1 ZINC000225412014 570571153 /nfs/dbraw/zinc/57/11/53/570571153.db2.gz LQSRAYQXJOMGMX-QGZVFWFLSA-N 0 0 385.471 3.520 50 5 GHBARN COc1cc(NC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)c(C)cc1[N+](=O)[O-] ZINC000005388612 570578876 /nfs/dbraw/zinc/57/88/76/570578876.db2.gz LWVXWGFPAUTRAF-KRWDZBQOSA-N 0 0 396.403 3.778 50 5 GHBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005559361 570643670 /nfs/dbraw/zinc/64/36/70/570643670.db2.gz YUIBKHASVQGAIY-GFCCVEGCSA-N 0 0 397.412 3.902 50 5 GHBARN O=C(Nc1cccc2nsnc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004624176 570679204 /nfs/dbraw/zinc/67/92/04/570679204.db2.gz PKTJWQWVIJVEFW-UHFFFAOYSA-N 0 0 383.433 3.842 50 5 GHBARN Cc1ccc(CNC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000004355879 570694698 /nfs/dbraw/zinc/69/46/98/570694698.db2.gz LGSHOTMYXQABRD-UHFFFAOYSA-N 0 0 394.456 3.769 50 5 GHBARN CN(C)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000169809491 570706584 /nfs/dbraw/zinc/70/65/84/570706584.db2.gz CLGGVEMYHUBWRS-UHFFFAOYSA-N 0 0 390.339 3.656 50 5 GHBARN CCOc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000001173005 570787417 /nfs/dbraw/zinc/78/74/17/570787417.db2.gz XVDZDIRXBOGMFJ-UHFFFAOYSA-N 0 0 389.433 3.519 50 5 GHBARN CCCc1nnsc1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 ZINC000036709427 570798301 /nfs/dbraw/zinc/79/83/01/570798301.db2.gz KVACQCRAUJUAHH-UHFFFAOYSA-N 0 0 381.464 3.836 50 5 GHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCc1ccc(Cl)cc1 ZINC000032777254 570799508 /nfs/dbraw/zinc/79/95/08/570799508.db2.gz MYDWZQBRXOPPMP-UHFFFAOYSA-N 0 0 377.809 3.798 50 5 GHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000004657250 570805306 /nfs/dbraw/zinc/80/53/06/570805306.db2.gz SOZGHYVZONRXIX-UHFFFAOYSA-N 0 0 375.187 3.965 50 5 GHBARN CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000004653372 570807251 /nfs/dbraw/zinc/80/72/51/570807251.db2.gz TYIHZWQCJKQEDC-MRXNPFEDSA-N 0 0 376.796 3.673 50 5 GHBARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000003880636 570817463 /nfs/dbraw/zinc/81/74/63/570817463.db2.gz NUFOLOVTGNXEGX-UHFFFAOYSA-N 0 0 383.429 3.694 50 5 GHBARN COC(=O)c1ccc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007296068 570826676 /nfs/dbraw/zinc/82/66/76/570826676.db2.gz OHZBDLASTAXWFB-LBPRGKRZSA-N 0 0 375.402 3.605 50 5 GHBARN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004703595 570842814 /nfs/dbraw/zinc/84/28/14/570842814.db2.gz AXBDKLKCCLUYFM-UHFFFAOYSA-N 0 0 393.365 3.884 50 5 GHBARN CN(CCC(F)(F)F)c1nc(N(C)CCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000170591626 570849336 /nfs/dbraw/zinc/84/93/36/570849336.db2.gz HOIHZHVOXRPGHE-UHFFFAOYSA-N 0 0 380.314 3.829 50 5 GHBARN O=C(NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000170593556 570851775 /nfs/dbraw/zinc/85/17/75/570851775.db2.gz BUJBLADPXCXOCL-UHFFFAOYSA-N 0 0 383.629 3.983 50 5 GHBARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000004574928 570902962 /nfs/dbraw/zinc/90/29/62/570902962.db2.gz JMTRWEHWSNEFSW-UHFFFAOYSA-N 0 0 386.795 3.754 50 5 GHBARN COc1ccc(-c2c3cnn(C)c3[nH]c3c2oc2cc(O)cc(=O)c23)cc1OC ZINC000263585035 570907818 /nfs/dbraw/zinc/90/78/18/570907818.db2.gz DITMJNQYAWNIKG-UHFFFAOYSA-N 0 0 391.383 3.963 50 5 biogenic GHBARN Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004759239 570963407 /nfs/dbraw/zinc/96/34/07/570963407.db2.gz OAPSIHJPGQXWKL-INIZCTEOSA-N 0 0 385.489 3.733 50 5 GHBARN O=C(NCc1cccnc1N1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000045883005 570998247 /nfs/dbraw/zinc/99/82/47/570998247.db2.gz XJSMCYWNVLGLBL-UHFFFAOYSA-N 0 0 398.466 3.550 50 5 GHBARN O=[N+]([O-])c1cc(CN2CCOc3ccc(C(F)(F)F)cc32)c2c(c1)COCO2 ZINC000084452255 571018387 /nfs/dbraw/zinc/01/83/87/571018387.db2.gz BICJHSPQHYJTQS-UHFFFAOYSA-N 0 0 396.321 3.879 50 5 GHBARN Cc1ccc(CNC(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000007777350 571035786 /nfs/dbraw/zinc/03/57/86/571035786.db2.gz KUIJILIUBRKLRN-UHFFFAOYSA-N 0 0 394.383 3.636 50 5 GHBARN Cc1noc(C)c1CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000225650558 861232476 /nfs/dbraw/zinc/23/24/76/861232476.db2.gz ILZCCUVHXPLKCV-UHFFFAOYSA-N 0 0 385.251 3.829 50 5 GHBARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1[N+](=O)[O-] ZINC000003008120 862097399 /nfs/dbraw/zinc/09/73/99/862097399.db2.gz UCVYVQYZKYKVLW-UHFFFAOYSA-N 0 0 384.392 3.919 50 5 GHBARN O=C(c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000003015330 862110801 /nfs/dbraw/zinc/11/08/01/862110801.db2.gz XQBLAXNLDAXECU-UHFFFAOYSA-N 0 0 378.837 3.872 50 5 GHBARN CN(C)C(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000003100264 862184542 /nfs/dbraw/zinc/18/45/42/862184542.db2.gz MNWGAZSAIBWZHE-UHFFFAOYSA-N 0 0 387.461 3.879 50 5 GHBARN C[C@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC000003189131 862237307 /nfs/dbraw/zinc/23/73/07/862237307.db2.gz XDZYHONFDXMVJA-GFCCVEGCSA-N 0 0 382.332 3.899 50 5 GHBARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000008388143 856155622 /nfs/dbraw/zinc/15/56/22/856155622.db2.gz DQUNKWDGFVJLPE-UHFFFAOYSA-N 0 0 384.823 3.981 50 5 GHBARN COc1cccc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000008403417 856196532 /nfs/dbraw/zinc/19/65/32/856196532.db2.gz UGLBXRZDJWJHME-OAHLLOKOSA-N 0 0 383.448 3.770 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccnc1Oc1cccc(F)c1 ZINC000040094199 856659936 /nfs/dbraw/zinc/65/99/36/856659936.db2.gz QTROCZGXRXCBCP-UHFFFAOYSA-N 0 0 381.363 3.780 50 5 GHBARN O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004176238 862842057 /nfs/dbraw/zinc/84/20/57/862842057.db2.gz MKSLVEWHAVAQET-UHFFFAOYSA-N 0 0 396.428 3.545 50 5 GHBARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000004176778 862842072 /nfs/dbraw/zinc/84/20/72/862842072.db2.gz PEUCKTCTPARVOM-INIZCTEOSA-N 0 0 398.893 3.993 50 5 GHBARN COc1ccccc1/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO ZINC000010187312 857415889 /nfs/dbraw/zinc/41/58/89/857415889.db2.gz BRUMOUOIXCXAAS-VXPUYCOJSA-N 0 0 385.445 3.748 50 5 GHBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000058889494 857725973 /nfs/dbraw/zinc/72/59/73/857725973.db2.gz ZJDFMILECULDIT-UHFFFAOYSA-N 0 0 383.492 3.502 50 5 GHBARN CCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccccc1 ZINC000009668994 857898491 /nfs/dbraw/zinc/89/84/91/857898491.db2.gz QHHHKEGMWAIPAR-UHFFFAOYSA-N 0 0 397.460 3.777 50 5 GHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccc(F)cc1Cl ZINC000033678810 859423787 /nfs/dbraw/zinc/42/37/87/859423787.db2.gz RIOPWNOCEBZAGR-YVMONPNESA-N 0 0 378.743 3.582 50 5 GHBARN O=C(NCCc1cccs1)c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000033308673 863844665 /nfs/dbraw/zinc/84/46/65/863844665.db2.gz PIHRRLHTSSNJDN-UHFFFAOYSA-N 0 0 383.860 3.535 50 5 GHBARN COc1ccc(-c2nnc3sc(-c4ccc(C)c([N+](=O)[O-])c4)nn32)cc1OC ZINC000009615176 898702538 /nfs/dbraw/zinc/70/25/38/898702538.db2.gz GGKZJGGWDSLMIB-UHFFFAOYSA-N 0 0 397.416 3.754 50 5 GHBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(NC(=O)C2CC2)cc1 ZINC000030395245 900494249 /nfs/dbraw/zinc/49/42/49/900494249.db2.gz FSHSDJCKSYADQM-ZDUSSCGKSA-N 0 0 396.447 3.500 50 5 GHBARN COC(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000012738364 919302403 /nfs/dbraw/zinc/30/24/03/919302403.db2.gz OLVMSIXBGBZLNX-XBXARRHUSA-N 0 0 391.763 3.662 50 5 GHBARN COc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000007912108 920526706 /nfs/dbraw/zinc/52/67/06/920526706.db2.gz VGZUSFZIRBIJKK-CMDGGOBGSA-N 0 0 385.344 3.649 50 5 GHBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3Cl)=Nc3nnnn32)c1 ZINC000101088294 231009678 /nfs/dbraw/zinc/00/96/78/231009678.db2.gz NXPIJYRWIFZMNB-OAHLLOKOSA-N 0 0 389.202 3.944 50 5 GHBARN COc1ccc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000016853167 210198945 /nfs/dbraw/zinc/19/89/45/210198945.db2.gz YWRGMVYDCMXYGY-UHFFFAOYSA-N 0 0 383.429 3.954 50 5 GHBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cnn(Cc2ccccc2)c1 ZINC000016694694 210194387 /nfs/dbraw/zinc/19/43/87/210194387.db2.gz ILSPELAOMTWWBB-CMDGGOBGSA-N 0 0 378.388 3.582 50 5 GHBARN C[C@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014093466 210100935 /nfs/dbraw/zinc/10/09/35/210100935.db2.gz MPAJFZKMEHNNKV-NSHDSACASA-N 0 0 375.454 3.565 50 5 GHBARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000013008242 210045661 /nfs/dbraw/zinc/04/56/61/210045661.db2.gz PHYKPEZTMGCDQC-UHFFFAOYSA-N 0 0 388.733 3.737 50 5 GHBARN COc1ccc(CN(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000012994582 210042676 /nfs/dbraw/zinc/04/26/76/210042676.db2.gz XPLCYRQWOHQHRA-UHFFFAOYSA-N 0 0 390.461 3.574 50 5 GHBARN Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000012977637 210038574 /nfs/dbraw/zinc/03/85/74/210038574.db2.gz VAUIGLPZFXJBBV-KRWDZBQOSA-N 0 0 380.853 3.986 50 5 GHBARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000012983652 210039159 /nfs/dbraw/zinc/03/91/59/210039159.db2.gz KPJRIPFXTLPGRI-SFHVURJKSA-N 0 0 390.461 3.746 50 5 GHBARN 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O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004909200 209542163 /nfs/dbraw/zinc/54/21/63/209542163.db2.gz OKIKEBZNSQVXEJ-UHFFFAOYSA-N 0 0 397.909 3.751 50 5 GHBARN CCc1c(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000004845600 209532595 /nfs/dbraw/zinc/53/25/95/209532595.db2.gz PPQGURKFJZZYBO-UHFFFAOYSA-N 0 0 382.372 3.590 50 5 GHBARN O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 ZINC000002918997 209397336 /nfs/dbraw/zinc/39/73/36/209397336.db2.gz CAFVHVVRWOIRLF-HUUCEWRRSA-N 0 0 387.346 3.934 50 5 GHBARN COc1ccccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002796592 209387236 /nfs/dbraw/zinc/38/72/36/209387236.db2.gz PPNHMVVKSGLZMR-UHFFFAOYSA-N 0 0 380.404 3.717 50 5 GHBARN COc1cccc([C@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000002796432 209386891 /nfs/dbraw/zinc/38/68/91/209386891.db2.gz WVGXUHSJVKGLEJ-HNNXBMFYSA-N 0 0 394.431 3.648 50 5 GHBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccco1 ZINC000002445193 209363365 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O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000001410091 209326303 /nfs/dbraw/zinc/32/63/03/209326303.db2.gz OLNCUJPNMYMTQZ-KRXBUXKQSA-N 0 0 387.823 3.737 50 5 GHBARN COc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)cc1Cl ZINC000001191468 209311524 /nfs/dbraw/zinc/31/15/24/209311524.db2.gz OIDUNRLFBZOTOU-UHFFFAOYSA-N 0 0 396.783 3.535 50 5 GHBARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001138767 209305735 /nfs/dbraw/zinc/30/57/35/209305735.db2.gz GKBDDZYGGNZNBI-GOSISDBHSA-N 0 0 396.472 3.643 50 5 GHBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)Oc3ccccc3Cl)c(=O)oc21 ZINC000001069818 209297177 /nfs/dbraw/zinc/29/71/77/209297177.db2.gz CEBQGADUATZLHY-UHFFFAOYSA-N 0 0 375.720 3.582 50 5 GHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000001001881 209287477 /nfs/dbraw/zinc/28/74/77/209287477.db2.gz FORBMDPCLGSZFR-UHFFFAOYSA-N 0 0 392.289 3.901 50 5 GHBARN CCOC(=O)c1ccc(COc2cc3oc(=O)cc(C)c3cc2[N+](=O)[O-])cc1 ZINC000000937215 209281107 /nfs/dbraw/zinc/28/11/07/209281107.db2.gz SDPCFHQHQWQJJK-UHFFFAOYSA-N 0 0 383.356 3.765 50 5 GHBARN COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000000882019 209275318 /nfs/dbraw/zinc/27/53/18/209275318.db2.gz GKDSECUSPXGTAP-UHFFFAOYSA-N 0 0 381.413 3.883 50 5 GHBARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000855076 209273214 /nfs/dbraw/zinc/27/32/14/209273214.db2.gz KQULXHMRAVGTHT-GOSISDBHSA-N 0 0 382.397 3.589 50 5 GHBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2=O ZINC000000846113 209271298 /nfs/dbraw/zinc/27/12/98/209271298.db2.gz YNDUUNDQXJEZFB-UHFFFAOYSA-N 0 0 388.401 3.604 50 5 GHBARN O=C(N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccnc1 ZINC000000832942 209270337 /nfs/dbraw/zinc/27/03/37/209270337.db2.gz LHINQWHBMNBRJG-ZDUSSCGKSA-N 0 0 389.626 3.528 50 5 GHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000813298 209267791 /nfs/dbraw/zinc/26/77/91/209267791.db2.gz ZVNMBWQHVNGUEM-UHFFFAOYSA-N 0 0 384.351 3.939 50 5 GHBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000670963 209257621 /nfs/dbraw/zinc/25/76/21/209257621.db2.gz OBAWHMDOCUIRTB-UHFFFAOYSA-N 0 0 390.417 3.905 50 5 GHBARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc(OC)c1O ZINC000253397602 209217618 /nfs/dbraw/zinc/21/76/18/209217618.db2.gz BNPHCURWZSKRRW-UHFFFAOYSA-N 0 0 391.383 3.963 50 5 biogenic GHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005505122 211568926 /nfs/dbraw/zinc/56/89/26/211568926.db2.gz OMTXBVVIQNVSLZ-IBGZPJMESA-N 0 0 394.431 3.985 50 5 GHBARN O=C(Nc1nnc(-c2ccncc2)o1)c1cc2c(ccc3ccccc32)oc1=O ZINC000004265064 211536562 /nfs/dbraw/zinc/53/65/62/211536562.db2.gz WTMFCICSZVEJIT-UHFFFAOYSA-N 0 0 384.351 3.644 50 5 GHBARN CC(=O)Oc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001505177 211509816 /nfs/dbraw/zinc/50/98/16/211509816.db2.gz GIMUXWGWJUVOTQ-OVCLIPMQSA-N 0 0 386.747 3.518 50 5 GHBARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000100667620 211388288 /nfs/dbraw/zinc/38/82/88/211388288.db2.gz DFTCEBZNJWTWQZ-AWEZNQCLSA-N 0 0 380.784 3.812 50 5 GHBARN CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C=CNc1ccccn1 ZINC000100324737 211386217 /nfs/dbraw/zinc/38/62/17/211386217.db2.gz JLSAZHVXCPWZCY-ZRDIBKRKSA-N 0 0 387.395 3.996 50 5 GHBARN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000095413198 211239380 /nfs/dbraw/zinc/23/93/80/211239380.db2.gz SBMBQFIFFOPBAU-SNVBAGLBSA-N 0 0 383.235 3.634 50 5 GHBARN CCCOc1ccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072329382 211091405 /nfs/dbraw/zinc/09/14/05/211091405.db2.gz NCNQSWRKGGRSDK-UHFFFAOYSA-N 0 0 380.404 3.704 50 5 GHBARN C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000044771195 210811972 /nfs/dbraw/zinc/81/19/72/210811972.db2.gz YHLROSGHYKFOMX-ZWNOBZJWSA-N 0 0 384.841 3.785 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000040130840 210776104 /nfs/dbraw/zinc/77/61/04/210776104.db2.gz 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CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccn2c1[N+](=O)[O-] ZINC000058304130 900909925 /nfs/dbraw/zinc/90/99/25/900909925.db2.gz SIQPWPMTGXQEMC-UHFFFAOYSA-N 0 0 394.218 3.624 50 5 GHBARN CCN(CC)S(=O)(=O)c1ccc(OC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000096798028 915057109 /nfs/dbraw/zinc/05/71/09/915057109.db2.gz YHYBVIJRKPAHKO-FLIBITNWSA-N 0 0 390.461 3.718 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000019536350 210258130 /nfs/dbraw/zinc/25/81/30/210258130.db2.gz BNHPKPFAHAZVKI-UHFFFAOYSA-N 0 0 382.283 3.741 50 5 GHBARN O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000019229131 210232708 /nfs/dbraw/zinc/23/27/08/210232708.db2.gz KMVUXNRMNCYGHU-ZDUSSCGKSA-N 0 0 380.659 3.507 50 5 GHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000016695711 210194359 /nfs/dbraw/zinc/19/43/59/210194359.db2.gz QYURXZZJNIILIQ-CYBMUJFWSA-N 0 0 399.369 3.772 50 5 GHBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000016587328 210191854 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5 GHBARN Cc1c(O[C@@H](C)C(=O)NCc2ccccn2)ccc2c3ccccc3c(=O)oc12 ZINC000005270511 209584617 /nfs/dbraw/zinc/58/46/17/209584617.db2.gz BRTCLAOWBUGKKZ-HNNXBMFYSA-N 0 0 388.423 3.733 50 5 GHBARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000004808291 209526485 /nfs/dbraw/zinc/52/64/85/209526485.db2.gz TUJWVMOXDODKMV-LLVKDONJSA-N 0 0 376.796 3.995 50 5 GHBARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004205921 209471741 /nfs/dbraw/zinc/47/17/41/209471741.db2.gz PZBQESCHBWMRFT-UWJYYQICSA-N 0 0 379.416 3.863 50 5 GHBARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000002830493 209389554 /nfs/dbraw/zinc/38/95/54/209389554.db2.gz HFHIYPKMMHBICD-UHFFFAOYSA-N 0 0 384.417 3.992 50 5 GHBARN COCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccccc1Cl ZINC000002436953 209363591 /nfs/dbraw/zinc/36/35/91/209363591.db2.gz DBJYQEQPXNVPIH-UHFFFAOYSA-N 0 0 396.830 3.860 50 5 GHBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(C3CCCCC3)nc21 ZINC000002342742 209357322 /nfs/dbraw/zinc/35/73/22/209357322.db2.gz GNSWLYZYKVTFHQ-UHFFFAOYSA-N 0 0 389.455 3.937 50 5 GHBARN CCc1c(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2oc1=O ZINC000002315785 209356289 /nfs/dbraw/zinc/35/62/89/209356289.db2.gz JBPDQOJYGWGYQW-UHFFFAOYSA-N 0 0 382.372 3.590 50 5 GHBARN O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1O ZINC000001041847 209292845 /nfs/dbraw/zinc/29/28/45/209292845.db2.gz ZHOFEVDBNZKFPB-UHFFFAOYSA-N 0 0 377.356 3.805 50 5 GHBARN Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000000947760 209282523 /nfs/dbraw/zinc/28/25/23/209282523.db2.gz QFSOVVQCZZNFRN-UHFFFAOYSA-N 0 0 393.365 3.884 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000000934671 209280543 /nfs/dbraw/zinc/28/05/43/209280543.db2.gz FNYIKVALDCSCPL-SNVBAGLBSA-N 0 0 395.209 3.772 50 5 GHBARN CCCc1cc(=O)[nH]c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000009644475 209278651 /nfs/dbraw/zinc/27/86/51/209278651.db2.gz DXCCGHYEPTUWBO-SNVBAGLBSA-N 0 0 387.421 3.534 50 5 GHBARN COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000000829672 209270652 /nfs/dbraw/zinc/27/06/52/209270652.db2.gz WUZNKPVYYLRRQI-VGOFMYFVSA-N 0 0 388.763 3.610 50 5 GHBARN Cc1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000674994 209258270 /nfs/dbraw/zinc/25/82/70/209258270.db2.gz FVNVTULGZQFMLB-UHFFFAOYSA-N 0 0 383.173 3.822 50 5 GHBARN C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000000668475 209256736 /nfs/dbraw/zinc/25/67/36/209256736.db2.gz VREXYUNIMWUJMO-NKLKJHRZSA-N 0 0 385.445 3.532 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000007214220 209144866 /nfs/dbraw/zinc/14/48/66/209144866.db2.gz PKCZBTDXBUUFEP-UHFFFAOYSA-N 0 0 394.758 3.746 50 5 GHBARN Cc1csc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000007779626 211589589 /nfs/dbraw/zinc/58/95/89/211589589.db2.gz DSHRNSLRSRJHLT-UHFFFAOYSA-N 0 0 384.382 3.804 50 5 GHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1 ZINC000000728707 211488401 /nfs/dbraw/zinc/48/84/01/211488401.db2.gz XMWOQIOSUWFTBD-HNNXBMFYSA-N 0 0 384.866 3.685 50 5 GHBARN CCc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000095466092 211245895 /nfs/dbraw/zinc/24/58/95/211245895.db2.gz CTJMMRRBMGFVCZ-UHFFFAOYSA-N 0 0 396.369 3.850 50 5 GHBARN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(=O)c2ccccc2)cc1 ZINC000089823106 211186502 /nfs/dbraw/zinc/18/65/02/211186502.db2.gz JWZHASKQVHOISS-UHFFFAOYSA-N 0 0 386.367 3.954 50 5 GHBARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020405974 210330585 /nfs/dbraw/zinc/33/05/85/210330585.db2.gz OMKGYQDYYMAVJQ-UHFFFAOYSA-N 0 0 396.234 3.651 50 5 GHBARN COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000048366452 570246263 /nfs/dbraw/zinc/24/62/63/570246263.db2.gz OAKZABMHSDVDJC-UHFFFAOYSA-N 0 0 397.431 3.662 50 5 GHBARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000006265381 570352352 /nfs/dbraw/zinc/35/23/52/570352352.db2.gz VLJJZILGQRJLBP-BONVTDFDSA-N 0 0 376.438 3.870 50 5 GHBARN O=C(Cc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004895833 570356967 /nfs/dbraw/zinc/35/69/67/570356967.db2.gz FLURPTQHQYFJCG-UHFFFAOYSA-N 0 0 393.365 3.505 50 5 GHBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000004979688 570388578 /nfs/dbraw/zinc/38/85/78/570388578.db2.gz UDDSAOHHBQLLFQ-IIDMSEBBSA-N 0 0 393.436 3.521 50 5 GHBARN CCOC(=O)c1ccc(COC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005013337 570396041 /nfs/dbraw/zinc/39/60/41/570396041.db2.gz BZAVYNSTJIRLCV-UHFFFAOYSA-N 0 0 389.429 3.997 50 5 GHBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)cc1 ZINC000005033420 570401929 /nfs/dbraw/zinc/40/19/29/570401929.db2.gz RYGYBPYTNGOYDZ-UHFFFAOYSA-N 0 0 384.371 3.992 50 5 GHBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000000835953 570407256 /nfs/dbraw/zinc/40/72/56/570407256.db2.gz FVMDTFSAZJYVRM-UHFFFAOYSA-N 0 0 381.344 3.701 50 5 GHBARN O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000192407238 570448827 /nfs/dbraw/zinc/44/88/27/570448827.db2.gz JLMMRNZANGPMMD-KRWDZBQOSA-N 0 0 385.807 3.791 50 5 GHBARN CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc(Cl)ccc1[N+](=O)[O-])n2C ZINC000100814215 570450640 /nfs/dbraw/zinc/45/06/40/570450640.db2.gz WOCYEBXVCAZTIV-HTXNQAPBSA-N 0 0 391.836 3.941 50 5 GHBARN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(CC)s2)cc1OC ZINC000024175378 570466463 /nfs/dbraw/zinc/46/64/63/570466463.db2.gz QXJFRTNLKRZUHR-UHFFFAOYSA-N 0 0 393.417 3.666 50 5 GHBARN COc1ccc(Cc2nnc3sc(-c4cccc([N+](=O)[O-])c4C)nn23)cc1 ZINC000008392899 570530545 /nfs/dbraw/zinc/53/05/45/570530545.db2.gz ZWASMQXNBHDXKF-UHFFFAOYSA-N 0 0 381.417 3.669 50 5 GHBARN COc1ccc2ccccc2c1[C@H]1OC(c2ccccc2[N+](=O)[O-])=NN1C(C)=O ZINC000064819706 570554988 /nfs/dbraw/zinc/55/49/88/570554988.db2.gz XEXDZNJDTPNVFV-OAQYLSRUSA-N 0 0 391.383 3.996 50 5 GHBARN Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C ZINC000032990856 570576485 /nfs/dbraw/zinc/57/64/85/570576485.db2.gz UMSVGZRLMXTUFH-UHFFFAOYSA-N 0 0 393.443 3.849 50 5 GHBARN COc1ccc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000002639602 570592273 /nfs/dbraw/zinc/59/22/73/570592273.db2.gz CLWVMDPYRSJGPH-UHFFFAOYSA-N 0 0 375.431 3.944 50 5 GHBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000005523328 570625845 /nfs/dbraw/zinc/62/58/45/570625845.db2.gz ILWKDPSZWGWCRC-INIZCTEOSA-N 0 0 386.795 3.515 50 5 GHBARN O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006828735 570627127 /nfs/dbraw/zinc/62/71/27/570627127.db2.gz SYSIHWPTJMSZPH-UHFFFAOYSA-N 0 0 390.411 3.822 50 5 GHBARN O=C1N[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000005584229 570661538 /nfs/dbraw/zinc/66/15/38/570661538.db2.gz HTYSAXLMIYKFSC-OAQYLSRUSA-N 0 0 376.368 3.995 50 5 GHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000007108062 570791208 /nfs/dbraw/zinc/79/12/08/570791208.db2.gz FTYFZAABDLGBMN-VXGBXAGGSA-N 0 0 388.807 3.771 50 5 GHBARN O=C(Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005843111 570796558 /nfs/dbraw/zinc/79/65/58/570796558.db2.gz VPVIQYTWZNOVKT-UHFFFAOYSA-N 0 0 383.404 3.609 50 5 GHBARN O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000004474181 570796967 /nfs/dbraw/zinc/79/69/67/570796967.db2.gz IVWCKYQLVXYNOV-UHFFFAOYSA-N 0 0 398.644 3.853 50 5 GHBARN O=C(Nn1cc([N+](=O)[O-])cn1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000004652247 570805702 /nfs/dbraw/zinc/80/57/02/570805702.db2.gz WRQSMZAUJUBLMT-UHFFFAOYSA-N 0 0 397.174 3.654 50 5 GHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000004662919 570811525 /nfs/dbraw/zinc/81/15/25/570811525.db2.gz HDGYXHAPWFXFRC-UHFFFAOYSA-N 0 0 379.825 3.774 50 5 GHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000035045835 570816134 /nfs/dbraw/zinc/81/61/34/570816134.db2.gz AXVDJVFLTYWVRF-KHPPLWFESA-N 0 0 391.383 3.770 50 5 GHBARN CC(=O)N[C@@H](C)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024421371 570817125 /nfs/dbraw/zinc/81/71/25/570817125.db2.gz GNDFRARSIDVEBP-NSHDSACASA-N 0 0 376.796 3.707 50 5 GHBARN O=[N+]([O-])c1c2nonc2c(Sc2ccc(Cl)cc2)cc1NCCCO ZINC000004672878 570819575 /nfs/dbraw/zinc/81/95/75/570819575.db2.gz XPOHYVXNSPVQGV-UHFFFAOYSA-N 0 0 380.813 3.730 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C ZINC000032801595 570820239 /nfs/dbraw/zinc/82/02/39/570820239.db2.gz KLWMSZMXOGZPPZ-CQSZACIVSA-N 0 0 394.431 3.897 50 5 GHBARN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OCC ZINC000007323778 570829473 /nfs/dbraw/zinc/82/94/73/570829473.db2.gz JYMPQYXBTYAHJL-UHFFFAOYSA-N 0 0 394.449 3.810 50 5 GHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2cccs2)no1 ZINC000007372406 570835072 /nfs/dbraw/zinc/83/50/72/570835072.db2.gz UBUCSJJUWWLODW-UHFFFAOYSA-N 0 0 388.405 3.642 50 5 GHBARN CCOc1cc2c(cc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012556215 570858842 /nfs/dbraw/zinc/85/88/42/570858842.db2.gz XAEGBASAJPFITN-GFCCVEGCSA-N 0 0 385.420 3.635 50 5 GHBARN C[C@H]1CCN(C(=O)CSc2ncccc2[N+](=O)[O-])c2ccccc2S1 ZINC000065693135 570860684 /nfs/dbraw/zinc/86/06/84/570860684.db2.gz VMTMEJMCQJUZRZ-LBPRGKRZSA-N 0 0 375.475 3.999 50 5 GHBARN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000170626117 570883365 /nfs/dbraw/zinc/88/33/65/570883365.db2.gz IINUUZIPYHJAOW-ZDUSSCGKSA-N 0 0 382.445 3.929 50 5 GHBARN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000105732065 570932443 /nfs/dbraw/zinc/93/24/43/570932443.db2.gz ZEIJEQYZXPMRKI-IAQYHMDHSA-N 0 0 387.465 3.534 50 5 GHBARN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000170637329 570937167 /nfs/dbraw/zinc/93/71/67/570937167.db2.gz QXUGOFGLTWMKTA-ZWKOTPCHSA-N 0 0 396.509 3.570 50 5 GHBARN CC(C)CNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004740933 570954598 /nfs/dbraw/zinc/95/45/98/570954598.db2.gz BGPFRSUKWPCBNF-UHFFFAOYSA-N 0 0 382.464 3.625 50 5 GHBARN Cc1nc(N2CCOCC2)nc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000004802436 570995186 /nfs/dbraw/zinc/99/51/86/570995186.db2.gz DHENREHURZOKBY-UHFFFAOYSA-N 0 0 384.223 3.580 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CN1CCCc2cc(F)cc(F)c21 ZINC000084656292 571029912 /nfs/dbraw/zinc/02/99/12/571029912.db2.gz KJQCJBACBSSFSY-ZDUSSCGKSA-N 0 0 389.402 3.845 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)c2ccncc21 ZINC000057373715 862065809 /nfs/dbraw/zinc/06/58/09/862065809.db2.gz MDBQQQGJPJAGRO-UHFFFAOYSA-N 0 0 389.415 3.606 50 5 GHBARN Cc1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000003195463 862245171 /nfs/dbraw/zinc/24/51/71/862245171.db2.gz LJAQUCHPASHBMZ-UHFFFAOYSA-N 0 0 386.363 3.935 50 5 GHBARN Cc1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000003197029 862245226 /nfs/dbraw/zinc/24/52/26/862245226.db2.gz FOOSGWRNUXKCRP-UHFFFAOYSA-N 0 0 386.363 3.935 50 5 GHBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003312654 862332369 /nfs/dbraw/zinc/33/23/69/862332369.db2.gz QXPDYQPEHHLUCB-UHFFFAOYSA-N 0 0 392.673 3.656 50 5 GHBARN CSc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000003342218 862352699 /nfs/dbraw/zinc/35/26/99/862352699.db2.gz LZLQMNKHNYHVJB-INIZCTEOSA-N 0 0 389.477 3.867 50 5 GHBARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000003343552 862354007 /nfs/dbraw/zinc/35/40/07/862354007.db2.gz PEIQDQNSDLJUOL-UHFFFAOYSA-N 0 0 393.494 3.922 50 5 GHBARN CCC(=O)N(c1nnc(SCc2cccc([N+](=O)[O-])c2C)s1)C1CC1 ZINC000058171056 862388009 /nfs/dbraw/zinc/38/80/09/862388009.db2.gz OSVGPAZTCPYGOL-UHFFFAOYSA-N 0 0 378.479 3.952 50 5 GHBARN CC[C@@H](NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2 ZINC000008326959 856120571 /nfs/dbraw/zinc/12/05/71/856120571.db2.gz BTSDQLJBUPOTDR-SFIVQVFOSA-N 0 0 394.903 3.946 50 5 GHBARN CCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000040156501 856686927 /nfs/dbraw/zinc/68/69/27/856686927.db2.gz MPJRDQYODASMNI-CQSZACIVSA-N 0 0 382.258 3.511 50 5 GHBARN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000032146463 862825439 /nfs/dbraw/zinc/82/54/39/862825439.db2.gz CXULXUNXQWVIAZ-SFHVURJKSA-N 0 0 376.416 3.930 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1 ZINC000009338707 857144246 /nfs/dbraw/zinc/14/42/46/857144246.db2.gz JQAPBIGEEFSWLM-SNVBAGLBSA-N 0 0 386.433 3.961 50 5 GHBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000009368955 857168429 /nfs/dbraw/zinc/16/84/29/857168429.db2.gz JHTHVUPXBBBNOH-AWEZNQCLSA-N 0 0 385.386 3.612 50 5 GHBARN O=c1nc(Nc2ccc(Br)cc2)sc2ccc([N+](=O)[O-])cc12 ZINC000009380093 857172138 /nfs/dbraw/zinc/17/21/38/857172138.db2.gz LHBSPTJKFVAZFI-UHFFFAOYSA-N 0 0 378.207 3.905 50 5 GHBARN COCCNc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000010377275 857447543 /nfs/dbraw/zinc/44/75/43/857447543.db2.gz YPRCSBJPCZGJCN-KRWDZBQOSA-N 0 0 377.466 3.842 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NC(=O)c1ccccc1 ZINC000010576883 858388214 /nfs/dbraw/zinc/38/82/14/858388214.db2.gz GDWOQMHLWDDIRF-UHFFFAOYSA-N 0 0 382.397 3.659 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019334193 860192813 /nfs/dbraw/zinc/19/28/13/860192813.db2.gz OHYZNKANWAFCCX-UHFFFAOYSA-N 0 0 393.365 3.572 50 5 GHBARN CCOc1cc([N+](=O)[O-])c(C(=O)OCCCOc2ccc(F)cc2)cc1OC ZINC000019357864 860204156 /nfs/dbraw/zinc/20/41/56/860204156.db2.gz AVQRAMFMVFPDOD-UHFFFAOYSA-N 0 0 393.367 3.767 50 5 GHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCCO2 ZINC000002241530 860444221 /nfs/dbraw/zinc/44/42/21/860444221.db2.gz BXVFUSONHHJLFG-UHFFFAOYSA-N 0 0 388.426 3.951 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007890850 866518018 /nfs/dbraw/zinc/51/80/18/866518018.db2.gz NMOUZNDMIWIEAG-AWEZNQCLSA-N 0 0 397.456 3.990 50 5 GHBARN CNc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000028264844 900374472 /nfs/dbraw/zinc/37/44/72/900374472.db2.gz CEEDARFEXXWKRS-UHFFFAOYSA-N 0 0 389.411 3.798 50 5 GHBARN COc1ccc(/C=C\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000096891478 915145246 /nfs/dbraw/zinc/14/52/46/915145246.db2.gz QQBDASBCFQDXJB-HJWRWDBZSA-N 0 0 385.344 3.649 50 5 GHBARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cccc(C(F)(F)F)c1 ZINC000097997329 1021160269 /nfs/dbraw/zinc/16/02/69/1021160269.db2.gz IXYGYIIMRPNICP-PLNGDYQASA-N 0 0 380.278 3.994 50 5 GHBARN O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019315391 210239608 /nfs/dbraw/zinc/23/96/08/210239608.db2.gz PDPUPERVMLOIGY-CQSZACIVSA-N 0 0 394.686 3.897 50 5 GHBARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000015518338 210157763 /nfs/dbraw/zinc/15/77/63/210157763.db2.gz QTINAXDRLYZIMA-IBGZPJMESA-N 0 0 399.447 3.696 50 5 GHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1C ZINC000015360077 210156117 /nfs/dbraw/zinc/15/61/17/210156117.db2.gz GDIMLAOAOPMWKZ-HNNXBMFYSA-N 0 0 396.465 3.866 50 5 GHBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(F)cc1 ZINC000015101611 210151984 /nfs/dbraw/zinc/15/19/84/210151984.db2.gz SNKXTQQHIKNINH-ZDUSSCGKSA-N 0 0 386.383 3.856 50 5 GHBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000014574480 210121027 /nfs/dbraw/zinc/12/10/27/210121027.db2.gz MULFZOVQAOUELZ-UHFFFAOYSA-N 0 0 391.309 3.755 50 5 GHBARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014077236 210102420 /nfs/dbraw/zinc/10/24/20/210102420.db2.gz AENCHXPTBZMPAT-UHFFFAOYSA-N 0 0 398.440 3.999 50 5 GHBARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012859415 210018439 /nfs/dbraw/zinc/01/84/39/210018439.db2.gz QMBZVNZIRCOCLK-UHFFFAOYSA-N 0 0 377.803 3.990 50 5 GHBARN NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000012648021 209990318 /nfs/dbraw/zinc/99/03/18/209990318.db2.gz IBZRQGZVJGCUQL-UHFFFAOYSA-N 0 0 396.350 3.530 50 5 GHBARN O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000007989802 209758165 /nfs/dbraw/zinc/75/81/65/209758165.db2.gz MIUFBRHPUVQTFS-UHFFFAOYSA-N 0 0 382.438 3.670 50 5 GHBARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005845514 209617730 /nfs/dbraw/zinc/61/77/30/209617730.db2.gz YUYXWMHNQWOELU-OAQYLSRUSA-N 0 0 381.432 3.860 50 5 GHBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1CCC1=CCCCC1 ZINC000005823019 209615989 /nfs/dbraw/zinc/61/59/89/209615989.db2.gz LDADVKQEHGZATK-UHFFFAOYSA-N 0 0 383.448 3.948 50 5 GHBARN Cc1c(O[C@H](C)C(=O)NCc2ccncc2)ccc2c3ccccc3c(=O)oc12 ZINC000005321654 209587408 /nfs/dbraw/zinc/58/74/08/209587408.db2.gz ZRASUWJTBOVMJZ-OAHLLOKOSA-N 0 0 388.423 3.733 50 5 GHBARN CCOC(=O)[C@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 ZINC000005092904 209569641 /nfs/dbraw/zinc/56/96/41/209569641.db2.gz IKFVSVFHVALILA-SXLOBPIMSA-N 0 0 392.411 3.631 50 5 GHBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)c1 ZINC000004978100 209554312 /nfs/dbraw/zinc/55/43/12/209554312.db2.gz BEYCKBCECKLTIG-UHFFFAOYSA-N 0 0 378.388 3.863 50 5 aggregator GHBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000004543587 209494384 /nfs/dbraw/zinc/49/43/84/209494384.db2.gz XESUSRDIELWUEY-UHFFFAOYSA-N 0 0 393.365 3.884 50 5 GHBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Br)o3)o2)cc([N+](=O)[O-])c1 ZINC000002921440 209398720 /nfs/dbraw/zinc/39/87/20/209398720.db2.gz WQLFKPPZSNACDI-UHFFFAOYSA-N 0 0 381.098 3.576 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1c(F)cccc1Cl ZINC000002850880 209391270 /nfs/dbraw/zinc/39/12/70/209391270.db2.gz VCXRTRIWENQPOX-UHFFFAOYSA-N 0 0 382.844 3.979 50 5 GHBARN Cc1nn(Cc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)c(C)c1[N+](=O)[O-] ZINC000002806342 209387859 /nfs/dbraw/zinc/38/78/59/209387859.db2.gz AWRYLABWDGEEJO-UHFFFAOYSA-N 0 0 399.414 3.714 50 5 GHBARN CC(C)(C)N(Cc1ccccc1)C(=O)COc1ncnc2cc([N+](=O)[O-])ccc21 ZINC000002663996 209376489 /nfs/dbraw/zinc/37/64/89/209376489.db2.gz SVVDDOICHOMYRH-UHFFFAOYSA-N 0 0 394.431 3.744 50 5 GHBARN COc1ccc(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000001316287 209319233 /nfs/dbraw/zinc/31/92/33/209319233.db2.gz LASHFDPBPIXGCZ-UHFFFAOYSA-N 0 0 396.399 3.845 50 5 GHBARN Cc1cc(I)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001230749 209316125 /nfs/dbraw/zinc/31/61/25/209316125.db2.gz FDBHPOFQLZFQHP-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001193734 209311565 /nfs/dbraw/zinc/31/15/65/209311565.db2.gz WTCXLOHEHUPIFO-HNNXBMFYSA-N 0 0 384.866 3.685 50 5 GHBARN COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1 ZINC000001138489 209305341 /nfs/dbraw/zinc/30/53/41/209305341.db2.gz VAKFMCPLCAVLFF-UHFFFAOYSA-N 0 0 384.417 3.606 50 5 GHBARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001059525 209295526 /nfs/dbraw/zinc/29/55/26/209295526.db2.gz YHRBUEORUCZJRZ-UHFFFAOYSA-N 0 0 382.445 3.772 50 5 GHBARN COC(=O)Cc1c(C)c2c(OCc3ccc([N+](=O)[O-])cc3)cc(C)cc2oc1=O ZINC000001050202 209294219 /nfs/dbraw/zinc/29/42/19/209294219.db2.gz RRCNYMYOXUNFAW-UHFFFAOYSA-N 0 0 397.383 3.613 50 5 GHBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000001057925 209293810 /nfs/dbraw/zinc/29/38/10/209293810.db2.gz PZLQPGAIJHCOJB-UHFFFAOYSA-N 0 0 390.428 3.925 50 5 GHBARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009596152 209284753 /nfs/dbraw/zinc/28/47/53/209284753.db2.gz QXSYCIXWXYMVIP-UHFFFAOYSA-N 0 0 393.399 3.840 50 5 GHBARN COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000882006 209276361 /nfs/dbraw/zinc/27/63/61/209276361.db2.gz LSUMRASNLMGFIW-UHFFFAOYSA-N 0 0 379.825 3.692 50 5 GHBARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000855147 209273448 /nfs/dbraw/zinc/27/34/48/209273448.db2.gz ZMKGYUPQXKGEAV-MRXNPFEDSA-N 0 0 398.893 3.993 50 5 GHBARN CCOc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c2ccccc12 ZINC000000864554 209274434 /nfs/dbraw/zinc/27/44/34/209274434.db2.gz BUOGBVJKWNDPNS-UHFFFAOYSA-N 0 0 397.412 3.733 50 5 GHBARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000000828075 209270206 /nfs/dbraw/zinc/27/02/06/209270206.db2.gz ZJWSSSFNHQOHAA-UHFFFAOYSA-N 0 0 389.371 3.590 50 5 GHBARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c2cc1OC ZINC000000717596 209261498 /nfs/dbraw/zinc/26/14/98/209261498.db2.gz LDDJQOUHXBDHKJ-UHFFFAOYSA-N 0 0 384.388 3.768 50 5 biogenic GHBARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(N)=O ZINC000000651277 209255822 /nfs/dbraw/zinc/25/58/22/209255822.db2.gz GHBPMVYOFGUTET-UHFFFAOYSA-N 0 0 395.440 3.907 50 5 GHBARN COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC1=O)=C2 ZINC000096939754 209241250 /nfs/dbraw/zinc/24/12/50/209241250.db2.gz SJCBELWWFAYDRP-CAOOACKPSA-N 0 0 392.367 3.575 50 5 GHBARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000001812512 209228491 /nfs/dbraw/zinc/22/84/91/209228491.db2.gz CTHLGIJMADJAFR-UHFFFAOYSA-N 0 0 399.355 3.672 50 5 GHBARN Cc1ccc(C(=O)C2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000024457594 211795313 /nfs/dbraw/zinc/79/53/13/211795313.db2.gz NWPFGFXFTJLKHN-UHFFFAOYSA-N 0 0 396.443 3.712 50 5 GHBARN C[C@H](c1ccccc1)n1cnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000058018111 211776715 /nfs/dbraw/zinc/77/67/15/211776715.db2.gz UTQCHCRUTKJDNF-CYBMUJFWSA-N 0 0 383.433 3.526 50 5 GHBARN NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2 ZINC000004176884 211535187 /nfs/dbraw/zinc/53/51/87/211535187.db2.gz CWWGGKLCTSYWNW-SOFGYWHQSA-N 0 0 391.474 3.738 50 5 GHBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])nc2c3ccccc3oc(=O)c12 ZINC000004108184 211533214 /nfs/dbraw/zinc/53/32/14/211533214.db2.gz YHBWVFAHGGXKDI-UHFFFAOYSA-N 0 0 375.340 3.810 50 5 GHBARN O=C(c1cnn(-c2ccccc2)c1Cl)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000098086733 211379989 /nfs/dbraw/zinc/37/99/89/211379989.db2.gz DXKYTEFEPXSBCF-UHFFFAOYSA-N 0 0 395.762 3.715 50 5 GHBARN CCc1cccc2c([C@H](CC(=O)NCCOC)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275702 211328884 /nfs/dbraw/zinc/32/88/84/211328884.db2.gz NWKQBHWFOMRSLZ-LJQANCHMSA-N 0 0 395.459 3.923 50 5 GHBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc2ccccc2c1Cl 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ZINC000003310951 209422750 /nfs/dbraw/zinc/42/27/50/209422750.db2.gz BLUCGIJGLBOLPD-UHFFFAOYSA-N 0 0 387.395 3.590 50 5 GHBARN O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000002794723 209385169 /nfs/dbraw/zinc/38/51/69/209385169.db2.gz WKWBMCMBNICJFI-UHFFFAOYSA-N 0 0 391.309 3.506 50 5 GHBARN Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)cc1Br ZINC000002818816 209389979 /nfs/dbraw/zinc/38/99/79/209389979.db2.gz RYNJZXIIOXUNDB-UHFFFAOYSA-N 0 0 375.178 3.775 50 5 GHBARN CC(=O)c1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002796316 209386522 /nfs/dbraw/zinc/38/65/22/209386522.db2.gz MENZHIJBAWJOEA-UHFFFAOYSA-N 0 0 392.415 3.911 50 5 GHBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000002437055 209363587 /nfs/dbraw/zinc/36/35/87/209363587.db2.gz SHJGCLGRLCVZGA-UHFFFAOYSA-N 0 0 385.427 3.702 50 5 GHBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002502977 209368160 /nfs/dbraw/zinc/36/81/60/209368160.db2.gz LOLDPCKJDARJHH-FQEVSTJZSA-N 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378.837 3.872 50 5 GHBARN Cc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000001082692 209298647 /nfs/dbraw/zinc/29/86/47/209298647.db2.gz PPRJVZXWFZCHBN-IBGZPJMESA-N 0 0 395.415 3.617 50 5 GHBARN Cc1ccc(OC[C@@H]2SCCN2C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000001025313 209290483 /nfs/dbraw/zinc/29/04/83/209290483.db2.gz IIYAOYBFEIQTGA-KRWDZBQOSA-N 0 0 376.409 3.636 50 5 GHBARN O=[N+]([O-])c1cc([C@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl ZINC000000855143 209272578 /nfs/dbraw/zinc/27/25/78/209272578.db2.gz UZZKEWSHKCWTBX-OAHLLOKOSA-N 0 0 384.866 3.685 50 5 GHBARN O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000828237 209270396 /nfs/dbraw/zinc/27/03/96/209270396.db2.gz PDTKOJCLRIZPAZ-UHFFFAOYSA-N 0 0 384.171 3.707 50 5 GHBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Br)c1 ZINC000000673703 209258355 /nfs/dbraw/zinc/25/83/55/209258355.db2.gz FPISYEIKDZEPRU-UHFFFAOYSA-N 0 0 383.173 3.822 50 5 GHBARN Cc1ccc(C(=O)COC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000001174474 212061402 /nfs/dbraw/zinc/06/14/02/212061402.db2.gz DSMJHGJBEYWBIV-UHFFFAOYSA-N 0 0 378.178 3.705 50 5 GHBARN O=C(CCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000004542680 209136941 /nfs/dbraw/zinc/13/69/41/209136941.db2.gz DJDBRQZBQLBIOV-UHFFFAOYSA-N 0 0 386.364 3.641 50 5 GHBARN CN(c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000102785446 211414497 /nfs/dbraw/zinc/41/44/97/211414497.db2.gz XYVPSUSQSFRGOC-CALCHBBNSA-N 0 0 383.448 3.819 50 5 GHBARN CC(C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1cccs1 ZINC000096277425 211329828 /nfs/dbraw/zinc/32/98/28/211329828.db2.gz LJPIOGJMBHFMME-UHFFFAOYSA-N 0 0 386.433 3.800 50 5 GHBARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000095948646 211286591 /nfs/dbraw/zinc/28/65/91/211286591.db2.gz DTRDFERNWDGYEM-UHFFFAOYSA-N 0 0 397.309 3.731 50 5 GHBARN Nc1c(C(=O)NCc2ccc(COc3ccccc3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000071945652 211065152 /nfs/dbraw/zinc/06/51/52/211065152.db2.gz IDHKZASXTBLSKY-UHFFFAOYSA-N 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O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000002994395 220593131 /nfs/dbraw/zinc/59/31/31/220593131.db2.gz MKUASIVXAXUKHI-SNVBAGLBSA-N 0 0 394.214 3.893 50 5 GHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O ZINC000005269020 220854303 /nfs/dbraw/zinc/85/43/03/220854303.db2.gz CUDMNDULWNBWAQ-UHFFFAOYSA-N 0 0 381.363 3.505 50 5 GHBARN O=c1c([N+](=O)[O-])c(NCCCn2ccnc2)c2ccccc2n1-c1ccccc1 ZINC000009059967 221069234 /nfs/dbraw/zinc/06/92/34/221069234.db2.gz RDFXTHZDQMKZKD-UHFFFAOYSA-N 0 0 389.415 3.598 50 5 GHBARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000793710 520479702 /nfs/dbraw/zinc/47/97/02/520479702.db2.gz VGLKGXSDUDVDMU-SFHVURJKSA-N 0 0 381.388 3.703 50 5 GHBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1 ZINC000006124549 570263659 /nfs/dbraw/zinc/26/36/59/570263659.db2.gz OUAASKOQIQKPAO-AWEZNQCLSA-N 0 0 397.431 3.855 50 5 GHBARN Cc1sc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1-c1ccccc1 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379.210 3.992 50 5 GHBARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000007777907 571035851 /nfs/dbraw/zinc/03/58/51/571035851.db2.gz AYIGRRHXVWUUKK-UHFFFAOYSA-N 0 0 390.395 3.735 50 5 GHBARN CC(C)CCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000005020253 571044149 /nfs/dbraw/zinc/04/41/49/571044149.db2.gz UUQLWRYWBCZESN-UHFFFAOYSA-N 0 0 399.454 3.653 50 5 GHBARN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000055592176 861263859 /nfs/dbraw/zinc/26/38/59/861263859.db2.gz ZTTOZTRLQDTKDH-UHFFFAOYSA-N 0 0 391.449 3.607 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Br)cs3)CC2)cc1 ZINC000022591051 842413183 /nfs/dbraw/zinc/41/31/83/842413183.db2.gz MLGVZZWKGNLTEN-UHFFFAOYSA-N 0 0 382.283 3.741 50 5 GHBARN COc1ccccc1Nc1nnc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)s1 ZINC000002956116 862061123 /nfs/dbraw/zinc/06/11/23/862061123.db2.gz GPDACYPWYZGONG-UHFFFAOYSA-N 0 0 396.384 3.972 50 5 GHBARN Cc1cccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1 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O=C(C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307335 862948004 /nfs/dbraw/zinc/94/80/04/862948004.db2.gz UHYMYHGMLSZFSU-UHFFFAOYSA-N 0 0 382.464 3.614 50 5 GHBARN COc1cccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000008050288 863028892 /nfs/dbraw/zinc/02/88/92/863028892.db2.gz LPYKIQPUQLKNLC-UHFFFAOYSA-N 0 0 381.354 3.949 50 5 GHBARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000008082577 863059020 /nfs/dbraw/zinc/05/90/20/863059020.db2.gz HMVSEXLGEOETPO-UHFFFAOYSA-N 0 0 383.426 3.953 50 5 GHBARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000033726783 885305880 /nfs/dbraw/zinc/30/58/80/885305880.db2.gz LNBLFFSHOHKRGW-SYZQJQIISA-N 0 0 396.399 3.836 50 5 GHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000032498450 887191585 /nfs/dbraw/zinc/19/15/85/887191585.db2.gz KCWSQBNUQQJKDA-VMPITWQZSA-N 0 0 391.880 3.667 50 5 GHBARN CC(C)n1ncc2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cnc21 ZINC000012635607 898975628 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570823057 /nfs/dbraw/zinc/82/30/57/570823057.db2.gz HLCVLHUXMFYWCH-NSHDSACASA-N 0 0 384.841 3.639 50 5 GHBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000012553294 570857171 /nfs/dbraw/zinc/85/71/71/570857171.db2.gz PMOASYDXWLRROW-ZDUSSCGKSA-N 0 0 389.402 3.967 50 5 GHBARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000004560752 570886224 /nfs/dbraw/zinc/88/62/24/570886224.db2.gz CXRINPODNWAEBE-NSHDSACASA-N 0 0 378.226 3.588 50 5 GHBARN O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004575223 570894081 /nfs/dbraw/zinc/89/40/81/570894081.db2.gz FDLASMOTIVXCJV-UHFFFAOYSA-N 0 0 397.328 3.715 50 5 GHBARN COC(=O)c1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cc([N+](=O)[O-])c1 ZINC000016722141 570907931 /nfs/dbraw/zinc/90/79/31/570907931.db2.gz LXCZTCPXPQRYHB-UHFFFAOYSA-N 0 0 390.421 3.533 50 5 GHBARN Cc1nc2sccn2c1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000023141469 570917887 /nfs/dbraw/zinc/91/78/87/570917887.db2.gz PSDZLLMZGODSFN-UHFFFAOYSA-N 0 0 386.462 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ZINC000192414742 570448842 /nfs/dbraw/zinc/44/88/42/570448842.db2.gz RZXITNOZMSTGEN-UHFFFAOYSA-N 0 0 379.294 3.582 50 5 GHBARN COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)c1 ZINC000035870849 570468491 /nfs/dbraw/zinc/46/84/91/570468491.db2.gz IUPDTHUXNGINNN-UYAOXDASSA-N 0 0 381.432 3.773 50 5 GHBARN Cc1ccc(NC(=O)COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C ZINC000006584399 570485341 /nfs/dbraw/zinc/48/53/41/570485341.db2.gz FYHUMBLLGAGCIE-UHFFFAOYSA-N 0 0 385.420 3.586 50 5 GHBARN Cc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000006625579 570509302 /nfs/dbraw/zinc/50/93/02/570509302.db2.gz UWAUJRVMEJRICZ-UHFFFAOYSA-N 0 0 384.413 3.872 50 5 GHBARN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000006692741 570537572 /nfs/dbraw/zinc/53/75/72/570537572.db2.gz ALZSDGNGYONRPB-LICLKQGHSA-N 0 0 398.396 3.757 50 5 GHBARN Cc1nn(-c2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c2c1=O ZINC000005325150 570553972 /nfs/dbraw/zinc/55/39/72/570553972.db2.gz YSLQYDZFQCCIAP-UHFFFAOYSA-N 0 0 375.819 3.852 50 5 GHBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1 ZINC000005397193 570581331 /nfs/dbraw/zinc/58/13/31/570581331.db2.gz CHJURFSFATVWJY-QPEQYQDCSA-N 0 0 391.152 3.841 50 5 GHBARN CC(C)c1nc([C@@H]2CCCN2C(=O)N2CCCc3c([N+](=O)[O-])cccc32)no1 ZINC000225508995 570581573 /nfs/dbraw/zinc/58/15/73/570581573.db2.gz XJDUCJCLJDGIGK-INIZCTEOSA-N 0 0 385.424 3.811 50 5 GHBARN COc1cccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000006820264 570621694 /nfs/dbraw/zinc/62/16/94/570621694.db2.gz RNFGLOMVPHJTSH-UHFFFAOYSA-N 0 0 397.353 3.741 50 5 GHBARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004591295 570621733 /nfs/dbraw/zinc/62/17/33/570621733.db2.gz WBAYNRYUMJJJSB-KRWDZBQOSA-N 0 0 390.823 3.746 50 5 GHBARN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2nc3ccccc3n12 ZINC000001029750 570747360 /nfs/dbraw/zinc/74/73/60/570747360.db2.gz IUAFMCGOKRAGOP-WQRHYEAKSA-N 0 0 389.392 3.625 50 5 GHBARN CNc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000025449329 570752578 /nfs/dbraw/zinc/75/25/78/570752578.db2.gz HJXIPAKVDHDIQM-UHFFFAOYSA-N 0 0 376.319 3.738 50 5 GHBARN COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000032753921 570796955 /nfs/dbraw/zinc/79/69/55/570796955.db2.gz BBRRTHIRSNLMRQ-LBPRGKRZSA-N 0 0 382.372 3.961 50 5 GHBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC ZINC000005895775 570802112 /nfs/dbraw/zinc/80/21/12/570802112.db2.gz ODOFUHGQPUPEJH-UHFFFAOYSA-N 0 0 385.420 3.855 50 5 GHBARN COc1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1 ZINC000004650868 570805757 /nfs/dbraw/zinc/80/57/57/570805757.db2.gz FNWZABHTRYLBCB-UHFFFAOYSA-N 0 0 396.447 3.978 50 5 GHBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccccc1F ZINC000004660031 570810096 /nfs/dbraw/zinc/81/00/96/570810096.db2.gz UXBQOINWTSHRAQ-UHFFFAOYSA-N 0 0 376.387 3.941 50 5 GHBARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000005693137 570812645 /nfs/dbraw/zinc/81/26/45/570812645.db2.gz QCHDLCWSFPPBOY-UHFFFAOYSA-N 0 0 382.416 3.852 50 5 GHBARN CCNc1ccc(C(=O)OCC(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-] ZINC000005692594 570813144 /nfs/dbraw/zinc/81/31/44/570813144.db2.gz BELQDQMMKSVLHR-UHFFFAOYSA-N 0 0 399.447 3.947 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2nc(C)sc2c1 ZINC000007241941 570818241 /nfs/dbraw/zinc/81/82/41/570818241.db2.gz IWHNSAGEQGUDIW-JTQLQIEISA-N 0 0 386.433 3.961 50 5 GHBARN Cc1cccn2cc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12 ZINC000012519968 570826608 /nfs/dbraw/zinc/82/66/08/570826608.db2.gz BAJWEDQFOWXZNM-UHFFFAOYSA-N 0 0 380.404 3.508 50 5 GHBARN CC(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000139193938 570832191 /nfs/dbraw/zinc/83/21/91/570832191.db2.gz JATGITOCVMIQSZ-SFHVURJKSA-N 0 0 396.403 3.537 50 5 GHBARN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004520471 570841110 /nfs/dbraw/zinc/84/11/10/570841110.db2.gz GFZGFIHNXMVYGD-UHFFFAOYSA-N 0 0 398.415 3.747 50 5 GHBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cccnc2[N+](=O)[O-])o1 ZINC000012540692 570841622 /nfs/dbraw/zinc/84/16/22/570841622.db2.gz OKWXSOXPQCUMSO-UHFFFAOYSA-N 0 0 379.332 3.582 50 5 GHBARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 ZINC000012548463 570850390 /nfs/dbraw/zinc/85/03/90/570850390.db2.gz FODVVUKDKXIHQO-UHFFFAOYSA-N 0 0 385.401 3.891 50 5 GHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000042145787 570886013 /nfs/dbraw/zinc/88/60/13/570886013.db2.gz FTHMIWBXOONQSS-DYVFJYSZSA-N 0 0 399.447 3.923 50 5 GHBARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl ZINC000004573203 570897694 /nfs/dbraw/zinc/89/76/94/570897694.db2.gz DPLUZKYQONQYMX-UHFFFAOYSA-N 0 0 378.856 3.963 50 5 GHBARN O=C(c1cc(=O)[nH]c(Cl)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121010241 570899011 /nfs/dbraw/zinc/89/90/11/570899011.db2.gz DZJNJXIUPWBDQT-UHFFFAOYSA-N 0 0 382.203 3.647 50 5 GHBARN Cc1cc2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)[nH]c2cc1C ZINC000004032763 570918425 /nfs/dbraw/zinc/91/84/25/570918425.db2.gz QGQSADMZDNSARI-UHFFFAOYSA-N 0 0 399.834 3.679 50 5 GHBARN Cc1nc2ccccc2nc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000004751560 570963548 /nfs/dbraw/zinc/96/35/48/570963548.db2.gz JYBBIPSRZQZWEV-UHFFFAOYSA-N 0 0 392.444 3.934 50 5 GHBARN O=c1c([N+](=O)[O-])c(N(CCc2ccc(Cl)cc2)CC2CC2)nc2ccccn12 ZINC000084606513 571026463 /nfs/dbraw/zinc/02/64/63/571026463.db2.gz KJTBFLLOROECGU-UHFFFAOYSA-N 0 0 398.850 3.715 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCCC1(C2OCCO2)CCCCCC1 ZINC000078902811 837458001 /nfs/dbraw/zinc/45/80/01/837458001.db2.gz WTCXODVWMGODFU-UHFFFAOYSA-N 0 0 390.480 3.747 50 5 GHBARN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000055833518 861324206 /nfs/dbraw/zinc/32/42/06/861324206.db2.gz RYGPSTJUKSCVNN-UHFFFAOYSA-N 0 0 393.374 3.916 50 5 GHBARN COc1ccccc1NC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079059103 846026170 /nfs/dbraw/zinc/02/61/70/846026170.db2.gz RBVFNEGHTUIWOQ-OAHLLOKOSA-N 0 0 398.463 3.507 50 5 GHBARN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1CCCCCC1 ZINC000003429699 862404004 /nfs/dbraw/zinc/40/40/04/862404004.db2.gz KBBXIZUOFRQYDW-KRWDZBQOSA-N 0 0 395.887 3.842 50 5 GHBARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003544152 862481099 /nfs/dbraw/zinc/48/10/99/862481099.db2.gz UPOYBHBPTYJXOB-UHFFFAOYSA-N 0 0 389.824 3.560 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(-c2ccnc(C)n2)c1 ZINC000031785576 862688824 /nfs/dbraw/zinc/68/88/24/862688824.db2.gz MWWWWCCDVJMNQP-UHFFFAOYSA-N 0 0 377.404 3.719 50 5 GHBARN COC[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000008229862 856068786 /nfs/dbraw/zinc/06/87/86/856068786.db2.gz KYKIQEWIRMIZCX-LLVKDONJSA-N 0 0 394.811 3.814 50 5 GHBARN COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008489775 856234315 /nfs/dbraw/zinc/23/43/15/856234315.db2.gz ZFKRIZJUYNSYIL-SNVBAGLBSA-N 0 0 379.800 3.705 50 5 GHBARN COc1cc(OC)cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1 ZINC000004108161 862794709 /nfs/dbraw/zinc/79/47/09/862794709.db2.gz UOUGIIMDMBNVLC-UHFFFAOYSA-N 0 0 390.395 3.919 50 5 GHBARN C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000040116703 856668917 /nfs/dbraw/zinc/66/89/17/856668917.db2.gz LJCSDLPCTUYMHU-KRWDZBQOSA-N 0 0 393.321 3.581 50 5 GHBARN C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000040116705 856668957 /nfs/dbraw/zinc/66/89/57/856668957.db2.gz LJCSDLPCTUYMHU-QGZVFWFLSA-N 0 0 393.321 3.581 50 5 GHBARN O=c1cc(-c2ccccc2)n2c(nnc2SCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000004250077 862895908 /nfs/dbraw/zinc/89/59/08/862895908.db2.gz DDCAZUQKVURNDR-UHFFFAOYSA-N 0 0 379.401 3.697 50 5 GHBARN CCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306124 862950810 /nfs/dbraw/zinc/95/08/10/862950810.db2.gz HKQBUZAAVBHPGZ-UHFFFAOYSA-N 0 0 396.407 3.862 50 5 GHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000007909394 859966400 /nfs/dbraw/zinc/96/64/00/859966400.db2.gz QINGYSJRZPDPTR-UHFFFAOYSA-N 0 0 398.246 3.890 50 5 GHBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1 ZINC000225565286 861187522 /nfs/dbraw/zinc/18/75/22/861187522.db2.gz CCPDOKMTHYSRIZ-UHFFFAOYSA-N 0 0 387.461 3.704 50 5 GHBARN Cc1csc(Sc2ccc(C(=O)NCc3ccccn3)cc2[N+](=O)[O-])n1 ZINC000007785029 882144309 /nfs/dbraw/zinc/14/43/09/882144309.db2.gz GLLKSTPDFKHVOS-UHFFFAOYSA-N 0 0 386.458 3.836 50 5 GHBARN CCOc1cc([N+](=O)[O-])c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007808161 883205063 /nfs/dbraw/zinc/20/50/63/883205063.db2.gz JRHBVAFEHWKOJC-UHFFFAOYSA-N 0 0 388.464 3.948 50 5 GHBARN O=C1c2ccccc2N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N1C[C@H]1CCCO1 ZINC000254367817 916565655 /nfs/dbraw/zinc/56/56/55/916565655.db2.gz TVIBKVCDTDPARL-ZKASZLPCSA-N 0 0 379.416 3.681 50 5 GHBARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000097997342 1021160556 /nfs/dbraw/zinc/16/05/56/1021160556.db2.gz KFARSHGOADBCIO-BHQIHCQQSA-N 0 0 396.277 3.874 50 5 GHBARN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC000017587252 210209417 /nfs/dbraw/zinc/20/94/17/210209417.db2.gz JIPHVZBDPLWJLW-HNNXBMFYSA-N 0 0 376.796 3.591 50 5 GHBARN O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000016564452 210191232 /nfs/dbraw/zinc/19/12/32/210191232.db2.gz PVBCJQCNZSNVGP-UHFFFAOYSA-N 0 0 399.838 3.620 50 5 GHBARN Cc1nc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(N(C)C)n1 ZINC000015838343 210172709 /nfs/dbraw/zinc/17/27/09/210172709.db2.gz NPTWUDVEHIFVGN-UHFFFAOYSA-N 0 0 392.419 3.755 50 5 GHBARN C[C@@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014093465 210102137 /nfs/dbraw/zinc/10/21/37/210102137.db2.gz MPAJFZKMEHNNKV-LLVKDONJSA-N 0 0 375.454 3.565 50 5 GHBARN CN(C)S(=O)(=O)c1ccc(SCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000013140764 210053970 /nfs/dbraw/zinc/05/39/70/210053970.db2.gz ZCEYQGOVJSLTKF-UHFFFAOYSA-N 0 0 380.491 3.570 50 5 GHBARN O=c1c([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)c2ccccc2)nc2ccccn21 ZINC000012950121 210036426 /nfs/dbraw/zinc/03/64/26/210036426.db2.gz TXZZJVVKNUINEC-SFHVURJKSA-N 0 0 386.411 3.999 50 5 GHBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008050870 209761681 /nfs/dbraw/zinc/76/16/81/209761681.db2.gz VQWNGZRGIXRTJL-CYBMUJFWSA-N 0 0 393.440 3.692 50 5 GHBARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1Cl ZINC000006764308 209681672 /nfs/dbraw/zinc/68/16/72/209681672.db2.gz AWOKQULQRZNIGX-UHFFFAOYSA-N 0 0 393.186 3.882 50 5 GHBARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000006719720 209671760 /nfs/dbraw/zinc/67/17/60/209671760.db2.gz UXOFOKZSTUMGFJ-UHFFFAOYSA-N 0 0 398.806 3.609 50 5 GHBARN Cc1[nH]c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2c1C ZINC000005937642 209622620 /nfs/dbraw/zinc/62/26/20/209622620.db2.gz PKQXTTDHZFMCEQ-UHFFFAOYSA-N 0 0 382.372 3.916 50 5 GHBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000005590704 209605312 /nfs/dbraw/zinc/60/53/12/209605312.db2.gz LREQVHYRMQDPJO-UHFFFAOYSA-N 0 0 395.337 3.703 50 5 GHBARN Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccc(C)cc1 ZINC000004835985 209531202 /nfs/dbraw/zinc/53/12/02/209531202.db2.gz YONHCHXIBGBLRM-UHFFFAOYSA-N 0 0 383.433 3.523 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000004681978 209510527 /nfs/dbraw/zinc/51/05/27/209510527.db2.gz SNISSLDFXVSGSI-UHFFFAOYSA-N 0 0 397.412 3.926 50 5 GHBARN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003431022 209435745 /nfs/dbraw/zinc/43/57/45/209435745.db2.gz ZGIRZCQYHONHBS-UHFFFAOYSA-N 0 0 393.852 3.681 50 5 GHBARN Cc1c(Cl)cn2c(=O)cc(COc3ccc([N+](=O)[O-])cc3)nc2c1Cl ZINC000003250600 209417662 /nfs/dbraw/zinc/41/76/62/209417662.db2.gz VDYNZUPGEWTDRO-UHFFFAOYSA-N 0 0 380.187 3.797 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCC1 ZINC000002879334 209394199 /nfs/dbraw/zinc/39/41/99/209394199.db2.gz BHJSVOOJRMISSY-UHFFFAOYSA-N 0 0 375.812 3.866 50 5 GHBARN 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KDIRRJVVIGNBOM-WIYYLYMNSA-N 0 0 379.416 3.863 50 5 GHBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C ZINC000004698822 220750312 /nfs/dbraw/zinc/75/03/12/220750312.db2.gz QKZPYNYBNDEOHR-UHFFFAOYSA-N 0 0 397.460 3.912 50 5 GHBARN Cc1ccc(NC(=O)c2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000004834421 220772004 /nfs/dbraw/zinc/77/20/04/220772004.db2.gz FFZKEYXFSONIKW-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccco2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000004886841 220784943 /nfs/dbraw/zinc/78/49/43/220784943.db2.gz GYTQWQDOZABPNL-WOZUAGRISA-N 0 0 387.395 3.664 50 5 GHBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000005074004 220826482 /nfs/dbraw/zinc/82/64/82/220826482.db2.gz ACNQVJAXBQUECY-UHFFFAOYSA-N 0 0 378.226 3.589 50 5 GHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000005101272 220830235 /nfs/dbraw/zinc/83/02/35/220830235.db2.gz QZEWBFHEZGUPOX-SFQUDFHCSA-N 0 0 395.346 3.737 50 5 GHBARN Cc1c(O[C@@H](C)C(=O)NCc2cccnc2)ccc2c3ccccc3c(=O)oc12 ZINC000005245012 220849167 /nfs/dbraw/zinc/84/91/67/220849167.db2.gz KTKSPVSMDAGXFU-HNNXBMFYSA-N 0 0 388.423 3.733 50 5 GHBARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1C ZINC000007757977 221010289 /nfs/dbraw/zinc/01/02/89/221010289.db2.gz RMEHSKLIVOEOLY-LLVKDONJSA-N 0 0 378.356 3.506 50 5 GHBARN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008449039 221042389 /nfs/dbraw/zinc/04/23/89/221042389.db2.gz DZSCLXHWVXTJHI-CYBMUJFWSA-N 0 0 384.388 3.618 50 5 GHBARN COc1ccccc1-c1noc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)n1 ZINC000008586814 221044629 /nfs/dbraw/zinc/04/46/29/221044629.db2.gz MFFDGYMEWSFORA-CQSZACIVSA-N 0 0 396.403 3.911 50 5 GHBARN COc1ccccc1Cc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000009355781 221078974 /nfs/dbraw/zinc/07/89/74/221078974.db2.gz QDEATVDBURRZNG-UHFFFAOYSA-N 0 0 384.417 3.606 50 5 GHBARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009461921 221081519 /nfs/dbraw/zinc/08/15/19/221081519.db2.gz UVKWEECDLQNEJM-UHFFFAOYSA-N 0 0 379.416 3.879 50 5 GHBARN Cc1cc(C)n2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2n1 ZINC000009497872 221082501 /nfs/dbraw/zinc/08/25/01/221082501.db2.gz VTFDRAQOOCPGAN-LLVKDONJSA-N 0 0 397.420 3.553 50 5 GHBARN O=C(c1cccs1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667705 221088748 /nfs/dbraw/zinc/08/87/48/221088748.db2.gz NBQRDEKDEXNDMU-UHFFFAOYSA-N 0 0 395.400 3.808 50 5 GHBARN COc1ccccc1-c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 ZINC000011576022 221117273 /nfs/dbraw/zinc/11/72/73/221117273.db2.gz WKQNAEDLQZHJMB-UHFFFAOYSA-N 0 0 385.401 3.666 50 5 GHBARN CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000012754159 221225138 /nfs/dbraw/zinc/22/51/38/221225138.db2.gz BSVOOJNPTJCLEA-LLVKDONJSA-N 0 0 390.823 3.900 50 5 GHBARN Cc1nc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1 ZINC000012856172 221239076 /nfs/dbraw/zinc/23/90/76/221239076.db2.gz JLSHDPLQLYVLOT-LBPRGKRZSA-N 0 0 399.838 3.971 50 5 GHBARN COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000012925646 221247118 /nfs/dbraw/zinc/24/71/18/221247118.db2.gz OLQYFXXQVRDNPF-OAHLLOKOSA-N 0 0 377.784 3.674 50 5 GHBARN Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)ccc1[N+](=O)[O-] ZINC000012930004 221248130 /nfs/dbraw/zinc/24/81/30/221248130.db2.gz SDEGTGCUFMHABE-UHFFFAOYSA-N 0 0 398.444 3.602 50 5 GHBARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000013112846 221261647 /nfs/dbraw/zinc/26/16/47/221261647.db2.gz WUUPEKZYYNJLBP-SXGWCWSVSA-N 0 0 386.385 3.506 50 5 GHBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000013149790 221262967 /nfs/dbraw/zinc/26/29/67/221262967.db2.gz HXJOYYZOCXYHHU-UHFFFAOYSA-N 0 0 389.824 3.780 50 5 GHBARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000015583101 221337903 /nfs/dbraw/zinc/33/79/03/221337903.db2.gz JQFLXDOVHQAKJX-STQMWFEESA-N 0 0 385.420 3.756 50 5 GHBARN COc1ccc(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]n2)cc1 ZINC000018154337 221388494 /nfs/dbraw/zinc/38/84/94/221388494.db2.gz RXYLMVYPPGECAL-UHFFFAOYSA-N 0 0 379.420 3.773 50 5 GHBARN O=[N+]([O-])c1c(F)cccc1N1CCN(CCOc2ccccc2Cl)CC1 ZINC000058406793 136155347 /nfs/dbraw/zinc/15/53/47/136155347.db2.gz CZPQLYYBKQAPQP-UHFFFAOYSA-N 0 0 379.819 3.588 50 5 GHBARN COc1ccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000006249485 136195145 /nfs/dbraw/zinc/19/51/45/136195145.db2.gz VAGRMKHVQWOYMT-HNNXBMFYSA-N 0 0 383.448 3.770 50 5 GHBARN CNc1ccc(C(=O)c2ccccc2C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000028409463 221676631 /nfs/dbraw/zinc/67/66/31/221676631.db2.gz QCQALICFZZGMHB-UHFFFAOYSA-N 0 0 395.440 3.859 50 5 GHBARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000032853570 221741163 /nfs/dbraw/zinc/74/11/63/221741163.db2.gz VRUXCQUGZMPYGX-OAHLLOKOSA-N 0 0 376.416 3.998 50 5 GHBARN O=[N+]([O-])c1ccc(-c2ncn(CN(C3CC3)[C@@H]3CCc4ccccc43)n2)cc1 ZINC000040155481 221914897 /nfs/dbraw/zinc/91/48/97/221914897.db2.gz KRUVXLKYKRBRNB-HXUWFJFHSA-N 0 0 375.432 3.963 50 5 GHBARN Cc1csc(Sc2ccc(C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000044195692 221951553 /nfs/dbraw/zinc/95/15/53/221951553.db2.gz MLURTPLRBHQQTA-UHFFFAOYSA-N 0 0 377.369 3.803 50 5 GHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000065534146 222134083 /nfs/dbraw/zinc/13/40/83/222134083.db2.gz TXXCIBMGNRKQHH-UHFFFAOYSA-N 0 0 382.807 3.977 50 5 GHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000006052534 570229166 /nfs/dbraw/zinc/22/91/66/570229166.db2.gz OMYRLEGVZWJXHF-LJQANCHMSA-N 0 0 394.431 3.985 50 5 GHBARN CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O)C1CCCCC1 ZINC000004821381 570261806 /nfs/dbraw/zinc/26/18/06/570261806.db2.gz QVPGDYJQVBOZJD-UHFFFAOYSA-N 0 0 396.447 3.715 50 5 GHBARN O=C(COC(=O)c1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005763712 570275966 /nfs/dbraw/zinc/27/59/66/570275966.db2.gz DADRDYMWNCHCOD-UHFFFAOYSA-N 0 0 378.340 3.822 50 5 GHBARN O=[N+]([O-])c1cc(OCc2ccccc2)ccc1NCn1nnc2ccccc21 ZINC000035287523 570281098 /nfs/dbraw/zinc/28/10/98/570281098.db2.gz KNZSEXNUIZGDMO-UHFFFAOYSA-N 0 0 375.388 3.988 50 5 GHBARN Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000006204903 570341560 /nfs/dbraw/zinc/34/15/60/570341560.db2.gz XOMWMHSHKJSAIF-UHFFFAOYSA-N 0 0 376.434 3.870 50 5 GHBARN O=[N+]([O-])c1cccc(/C=C/c2nn3c(COc4ccccc4)nnc3s2)c1 ZINC000004867540 570350782 /nfs/dbraw/zinc/35/07/82/570350782.db2.gz UFJGHHRTOJQGRQ-MDZDMXLPSA-N 0 0 379.401 3.843 50 5 GHBARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000004870636 570351941 /nfs/dbraw/zinc/35/19/41/570351941.db2.gz JROVMZXZXLZWRJ-CQSZACIVSA-N 0 0 376.796 3.924 50 5 GHBARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000006265241 570352418 /nfs/dbraw/zinc/35/24/18/570352418.db2.gz VLJJZILGQRJLBP-MEBBXXQBSA-N 0 0 376.438 3.870 50 5 GHBARN Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000004913329 570362918 /nfs/dbraw/zinc/36/29/18/570362918.db2.gz QCYNOMAFSVKENZ-KRWDZBQOSA-N 0 0 380.400 3.524 50 5 GHBARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000006416545 570405590 /nfs/dbraw/zinc/40/55/90/570405590.db2.gz HPJHSXMJYBIVFK-CYBMUJFWSA-N 0 0 397.460 3.507 50 5 GHBARN O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005061432 570409096 /nfs/dbraw/zinc/40/90/96/570409096.db2.gz OVUQMKXGOCLCIR-QGOAFFKASA-N 0 0 377.356 3.597 50 5 GHBARN Cc1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000005141170 570425938 /nfs/dbraw/zinc/42/59/38/570425938.db2.gz QOBHQOBRSFVQAX-UHFFFAOYSA-N 0 0 392.415 3.592 50 5 GHBARN O=C(NCc1ccncc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006710442 570546114 /nfs/dbraw/zinc/54/61/14/570546114.db2.gz VQCCCPARBUFATR-UHFFFAOYSA-N 0 0 399.410 3.773 50 5 GHBARN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005295232 570549186 /nfs/dbraw/zinc/54/91/86/570549186.db2.gz QOXYYIKHVWXYGI-UHFFFAOYSA-N 0 0 375.384 3.777 50 5 GHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000005517343 570624372 /nfs/dbraw/zinc/62/43/72/570624372.db2.gz UYNWHGNOPMSVSM-MRXNPFEDSA-N 0 0 386.795 3.515 50 5 GHBARN CCN(CC)C(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000005794408 570690843 /nfs/dbraw/zinc/69/08/43/570690843.db2.gz KWEBYQPUOCUORU-UHFFFAOYSA-N 0 0 398.444 3.939 50 5 GHBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000006991238 570730999 /nfs/dbraw/zinc/73/09/99/570730999.db2.gz DAYBYWSNTLPKSI-LLVKDONJSA-N 0 0 389.408 3.942 50 5 GHBARN CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000025350459 570748465 /nfs/dbraw/zinc/74/84/65/570748465.db2.gz QSDDAYVWPOVQHU-UHFFFAOYSA-N 0 0 383.404 3.624 50 5 GHBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032724214 570769156 /nfs/dbraw/zinc/76/91/56/570769156.db2.gz VEJDNIRJSFUGGT-NSHDSACASA-N 0 0 396.355 3.541 50 5 GHBARN N=c1n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1 ZINC000022146549 570800063 /nfs/dbraw/zinc/80/00/63/570800063.db2.gz FCLOGYLGAMORAS-UHFFFAOYSA-N 0 0 386.411 3.762 50 5 GHBARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OCC ZINC000005899329 570802225 /nfs/dbraw/zinc/80/22/25/570802225.db2.gz KQWHKYZZMDATCH-CYBMUJFWSA-N 0 0 387.436 3.925 50 5 GHBARN O=[N+]([O-])c1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccnc2)cc1 ZINC000004659432 570809634 /nfs/dbraw/zinc/80/96/34/570809634.db2.gz UGUUXKCYJSZOHX-SFHVURJKSA-N 0 0 379.445 3.593 50 5 GHBARN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000031661384 570819107 /nfs/dbraw/zinc/81/91/07/570819107.db2.gz AHUCOUXARCAPAI-QGZVFWFLSA-N 0 0 393.321 3.581 50 5 GHBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000004674049 570819561 /nfs/dbraw/zinc/81/95/61/570819561.db2.gz AKBNWHSUKZZAPS-UHFFFAOYSA-N 0 0 384.413 3.975 50 5 GHBARN O=C(CSc1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007238839 570819842 /nfs/dbraw/zinc/81/98/42/570819842.db2.gz UTDKXQWRQYDSDC-UHFFFAOYSA-N 0 0 395.820 3.950 50 5 GHBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000007257857 570821627 /nfs/dbraw/zinc/82/16/27/570821627.db2.gz MPCBBFJIHBLCOF-UHFFFAOYSA-N 0 0 391.431 3.627 50 5 GHBARN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(C)c(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC000003125011 570837252 /nfs/dbraw/zinc/83/72/52/570837252.db2.gz HOTOEKWTDLIZGA-UHFFFAOYSA-N 0 0 397.339 3.527 50 5 GHBARN NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000044087600 570862928 /nfs/dbraw/zinc/86/29/28/570862928.db2.gz MNOWCIMMCLBKPB-UHFFFAOYSA-N 0 0 388.836 3.678 50 5 GHBARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C ZINC000024572393 570903157 /nfs/dbraw/zinc/90/31/57/570903157.db2.gz DUOISVSHRGSQJI-UHFFFAOYSA-N 0 0 394.387 3.518 50 5 GHBARN COc1ccc(NS(=O)(=O)c2ccc(NCCC(C)C)c([N+](=O)[O-])c2)cc1 ZINC000089821163 570916282 /nfs/dbraw/zinc/91/62/82/570916282.db2.gz NDGNMWJKSBEIPZ-UHFFFAOYSA-N 0 0 393.465 3.862 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000004054399 570926004 /nfs/dbraw/zinc/92/60/04/570926004.db2.gz UAJWGKYDFVWIJL-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN O=C(c1cccc(Cl)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004184124 570982742 /nfs/dbraw/zinc/98/27/42/570982742.db2.gz KOKXMYZYDKHFAD-UHFFFAOYSA-N 0 0 380.231 3.864 50 5 GHBARN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1c(F)cccc1F ZINC000170659749 571000601 /nfs/dbraw/zinc/00/06/01/571000601.db2.gz UQBZWOLHHNRCBA-LBPRGKRZSA-N 0 0 399.300 3.692 50 5 GHBARN NC(=O)c1ccc(CN2CCCc3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c1 ZINC000084340881 571013357 /nfs/dbraw/zinc/01/33/57/571013357.db2.gz JEEAONPCHPIFER-UHFFFAOYSA-N 0 0 379.338 3.665 50 5 GHBARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003288240 862308970 /nfs/dbraw/zinc/30/89/70/862308970.db2.gz ZDKBKHXUHLCINA-UHFFFAOYSA-N 0 0 392.433 3.758 50 5 GHBARN O=C(Nc1n[nH]c(SCc2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000003533842 862475452 /nfs/dbraw/zinc/47/54/52/862475452.db2.gz GSZSEEGLAVWDFB-UHFFFAOYSA-N 0 0 389.824 3.911 50 5 GHBARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000031961142 862750002 /nfs/dbraw/zinc/75/00/02/862750002.db2.gz GAWPOXWCMREJFX-UHFFFAOYSA-N 0 0 388.445 3.872 50 5 GHBARN O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000002273014 856352714 /nfs/dbraw/zinc/35/27/14/856352714.db2.gz HEATYLXLGBCDIX-INIZCTEOSA-N 0 0 377.400 3.719 50 5 GHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(OCc2nccn2C)cc1 ZINC000040119451 856669855 /nfs/dbraw/zinc/66/98/55/856669855.db2.gz VTMPRRUVAAFXOA-OAHLLOKOSA-N 0 0 394.431 3.741 50 5 GHBARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 ZINC000004192935 862852540 /nfs/dbraw/zinc/85/25/40/862852540.db2.gz VLQLCGLAEQLCMW-OAHLLOKOSA-N 0 0 388.811 3.626 50 5 GHBARN COCCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccccc1C ZINC000002239023 860421023 /nfs/dbraw/zinc/42/10/23/860421023.db2.gz UOJSPFBGQYVDKE-UHFFFAOYSA-N 0 0 376.412 3.515 50 5 GHBARN C[C@H](CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003065018 898149586 /nfs/dbraw/zinc/14/95/86/898149586.db2.gz BZILKXAEWKETKK-LLVKDONJSA-N 0 0 384.348 3.557 50 5 GHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000029769232 900477584 /nfs/dbraw/zinc/47/75/84/900477584.db2.gz SLCGJYSFOONERV-UHFFFAOYSA-N 0 0 390.321 3.981 50 5 GHBARN CC(=O)Oc1cccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1 ZINC000001435304 212244703 /nfs/dbraw/zinc/24/47/03/212244703.db2.gz NUDDOZKNBPCHGJ-PXNMLYILSA-N 0 0 386.747 3.518 50 5 GHBARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001172411 212224866 /nfs/dbraw/zinc/22/48/66/212224866.db2.gz SQSRHCSSFHWSQF-UHFFFAOYSA-N 0 0 377.397 3.648 50 5 GHBARN COc1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000001147719 212223352 /nfs/dbraw/zinc/22/33/52/212223352.db2.gz GULIWBYRQYUNOY-UHFFFAOYSA-N 0 0 375.431 3.944 50 5 GHBARN 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O=C(Cn1sc2cc([N+](=O)[O-])ccc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000004751514 570964120 /nfs/dbraw/zinc/96/41/20/570964120.db2.gz IMXOQYFSWLAYDW-UHFFFAOYSA-N 0 0 397.334 3.629 50 5 GHBARN O=C(Nc1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000043827447 570993787 /nfs/dbraw/zinc/99/37/87/570993787.db2.gz PVDJYCKTHFOWDI-UHFFFAOYSA-N 0 0 381.026 3.877 50 5 GHBARN Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000002637253 861451607 /nfs/dbraw/zinc/45/16/07/861451607.db2.gz ZJRBRLBKKPGBIQ-UHFFFAOYSA-N 0 0 399.428 3.627 50 5 GHBARN O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000002791719 861624008 /nfs/dbraw/zinc/62/40/08/861624008.db2.gz AGIKROPJEMJOAL-UHFFFAOYSA-N 0 0 384.392 3.922 50 5 GHBARN Cc1ccc2c(c1)CCCN2C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000002800477 861636546 /nfs/dbraw/zinc/63/65/46/861636546.db2.gz WKIJIWMADFYGIJ-UHFFFAOYSA-N 0 0 392.415 3.729 50 5 GHBARN C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 ZINC000002809574 861638358 /nfs/dbraw/zinc/63/83/58/861638358.db2.gz IIWDLYNKVSVNGO-CYBMUJFWSA-N 0 0 384.823 3.984 50 5 GHBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002861172 861710291 /nfs/dbraw/zinc/71/02/91/861710291.db2.gz VDCZLUAYYUXPPP-UHFFFAOYSA-N 0 0 381.344 3.701 50 5 GHBARN Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000003158521 862223478 /nfs/dbraw/zinc/22/34/78/862223478.db2.gz SDPCQGWBQZKBTB-UHFFFAOYSA-N 0 0 377.312 3.765 50 5 GHBARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000003610553 862519533 /nfs/dbraw/zinc/51/95/33/862519533.db2.gz VXVLJMUQIPHUGI-NRFANRHFSA-N 0 0 375.384 3.715 50 5 GHBARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004056357 862740407 /nfs/dbraw/zinc/74/04/07/862740407.db2.gz MOKVWTCBRFKKRO-UHFFFAOYSA-N 0 0 379.210 3.992 50 5 GHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCn1cnc2ccccc21 ZINC000040068765 856647139 /nfs/dbraw/zinc/64/71/39/856647139.db2.gz YNZFCZKVCGGSBI-OAHLLOKOSA-N 0 0 381.436 3.737 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000040095043 856659729 /nfs/dbraw/zinc/65/97/29/856659729.db2.gz UWBXCFVCXNQPBX-UHFFFAOYSA-N 0 0 380.404 3.983 50 5 GHBARN C[C@H](Oc1ccccc1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 ZINC000019925233 858208876 /nfs/dbraw/zinc/20/88/76/858208876.db2.gz PKHMDOJTGMWQFV-LBPRGKRZSA-N 0 0 381.417 3.684 50 5 GHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019782442 860360015 /nfs/dbraw/zinc/36/00/15/860360015.db2.gz MRARXLCQOZOGKR-UHFFFAOYSA-N 0 0 393.365 3.572 50 5 GHBARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc([N+](=O)[O-])cc1)NC3=O ZINC000020446447 860577277 /nfs/dbraw/zinc/57/72/77/860577277.db2.gz OSZYYKFCIXWCFD-INIZCTEOSA-N 0 0 384.417 3.513 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000021106070 860714668 /nfs/dbraw/zinc/71/46/68/860714668.db2.gz KYKWZQZIFYGWGR-SFHVURJKSA-N 0 0 396.428 3.827 50 5 GHBARN Cc1ccc2[nH]c([C@@H]3CCCN(c4nc5ccccn5c4[N+](=O)[O-])C3)nc2c1 ZINC000095469170 913484639 /nfs/dbraw/zinc/48/46/39/913484639.db2.gz FMGXFPZHABAFPQ-CQSZACIVSA-N 0 0 376.420 3.811 50 5 GHBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)c(Cl)c1 ZINC000048557161 903811642 /nfs/dbraw/zinc/81/16/42/903811642.db2.gz RWYWDENNCJXQTN-RJRFIUFISA-N 0 0 378.743 3.906 50 5 GHBARN O=C1c2ccccc2C(=CNc2ccccc2[N+](=O)[O-])C(=O)N1c1nccs1 ZINC000105840274 905282348 /nfs/dbraw/zinc/28/23/48/905282348.db2.gz RORNUQFJRWIIRK-KAMYIIQDSA-N 0 0 392.396 3.691 50 5 GHBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)cc1Cl ZINC000096911712 915182532 /nfs/dbraw/zinc/18/25/32/915182532.db2.gz AZCKGKFYJFIHIG-RJRFIUFISA-N 0 0 378.743 3.906 50 5 GHBARN Cc1ccc([C@H](NC(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1 ZINC000096931493 915219081 /nfs/dbraw/zinc/21/90/81/915219081.db2.gz ZVFKKCPPWXMVMO-GEPASTNRSA-N 0 0 380.400 3.913 50 5 GHBARN O=C(Cc1cccc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000157150632 926990403 /nfs/dbraw/zinc/99/04/03/926990403.db2.gz DRRNMHNSJHNNQG-UHFFFAOYSA-N 0 0 397.258 3.855 50 5 GHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000676301 212172046 /nfs/dbraw/zinc/17/20/46/212172046.db2.gz ZLNNXHCAINSUHX-UHFFFAOYSA-N 0 0 378.406 3.711 50 5 GHBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3Cl)=Nc3nnnn32)c1 ZINC000101088292 231009491 /nfs/dbraw/zinc/00/94/91/231009491.db2.gz NXPIJYRWIFZMNB-HNNXBMFYSA-N 0 0 389.202 3.944 50 5 GHBARN COc1cccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1OC ZINC000001515604 212249179 /nfs/dbraw/zinc/24/91/79/212249179.db2.gz LZVBWKMKUCMDPB-ZSOIEALJSA-N 0 0 388.763 3.610 50 5 GHBARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1C ZINC000010187960 212237125 /nfs/dbraw/zinc/23/71/25/212237125.db2.gz OJJFNIZFUBGLPR-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000001201294 212227964 /nfs/dbraw/zinc/22/79/64/212227964.db2.gz ZWXWKJDWCRTYNP-UHFFFAOYSA-N 0 0 390.281 3.675 50 5 GHBARN Cc1cccc(Cn2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2=O)c1 ZINC000010187883 212237039 /nfs/dbraw/zinc/23/70/39/212237039.db2.gz RAEPJVGCLCILTQ-UHFFFAOYSA-N 0 0 381.363 3.505 50 5 GHBARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000001174555 212225548 /nfs/dbraw/zinc/22/55/48/212225548.db2.gz CHXXWVMXDJEEEX-UHFFFAOYSA-N 0 0 377.397 3.648 50 5 GHBARN COc1ccc(C(=O)COC(=O)c2cc(C)nc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000001171027 212225234 /nfs/dbraw/zinc/22/52/34/212225234.db2.gz DJOGKDSKXBUGQY-UHFFFAOYSA-N 0 0 394.383 3.808 50 5 GHBARN CCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000001149357 212223381 /nfs/dbraw/zinc/22/33/81/212223381.db2.gz ARXBUKUQOQENJM-UHFFFAOYSA-N 0 0 379.825 3.774 50 5 GHBARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000855075 212189801 /nfs/dbraw/zinc/18/98/01/212189801.db2.gz KQULXHMRAVGTHT-SFHVURJKSA-N 0 0 382.397 3.589 50 5 GHBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000845682 212189034 /nfs/dbraw/zinc/18/90/34/212189034.db2.gz BSJYUKFQHQJXRD-MRXNPFEDSA-N 0 0 386.795 3.515 50 5 GHBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc(OC)c1O ZINC000096222468 212154514 /nfs/dbraw/zinc/15/45/14/212154514.db2.gz VVPCPMPCXPZZIZ-UHFFFAOYSA-N 0 0 377.356 3.953 50 5 biogenic GHBARN CCc1nc2ccccc2n2c(-c3ccc(C)cc3)c3c(c12)n(C)c(=O)n(C)c3=O ZINC000003644454 220663185 /nfs/dbraw/zinc/66/31/85/220663185.db2.gz BGQWTFVQTZJXBL-UHFFFAOYSA-N 0 0 398.466 3.576 50 5 GHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000004043756 220674563 /nfs/dbraw/zinc/67/45/63/220674563.db2.gz UZYWZDVJWOXKHG-GOSISDBHSA-N 0 0 395.415 3.553 50 5 GHBARN O=C(c1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004499352 220721677 /nfs/dbraw/zinc/72/16/77/220721677.db2.gz KQSOAVNHZYCTAD-UHFFFAOYSA-N 0 0 397.328 3.715 50 5 GHBARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004900951 220785837 /nfs/dbraw/zinc/78/58/37/220785837.db2.gz UEWVVYWAMLXEFY-UHFFFAOYSA-N 0 0 392.415 3.521 50 5 GHBARN CC(C)n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005417753 220866754 /nfs/dbraw/zinc/86/67/54/220866754.db2.gz PSGUSTGVOCKYKW-UHFFFAOYSA-N 0 0 389.359 3.517 50 5 GHBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)o1 ZINC000008175629 221029264 /nfs/dbraw/zinc/02/92/64/221029264.db2.gz WVYYSEBCPXKGRY-UHFFFAOYSA-N 0 0 381.388 3.609 50 5 GHBARN CC(C)c1cccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008984104 221066808 /nfs/dbraw/zinc/06/68/08/221066808.db2.gz HOKNGWSLBIPASG-ZDUSSCGKSA-N 0 0 376.434 3.519 50 5 GHBARN Cc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000010810204 221107694 /nfs/dbraw/zinc/10/76/94/221107694.db2.gz JHDPNJMNOXXCKT-AWEZNQCLSA-N 0 0 377.466 3.763 50 5 GHBARN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000012521138 221201263 /nfs/dbraw/zinc/20/12/63/221201263.db2.gz OQUSQQNCVXGUEM-UHFFFAOYSA-N 0 0 397.840 3.624 50 5 GHBARN Cc1c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000012554345 221205793 /nfs/dbraw/zinc/20/57/93/221205793.db2.gz DYSSZWYPUUHAGJ-UHFFFAOYSA-N 0 0 396.491 3.964 50 5 GHBARN O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012875002 221240389 /nfs/dbraw/zinc/24/03/89/221240389.db2.gz LSOUASMPBPMJAN-UHFFFAOYSA-N 0 0 377.759 3.988 50 5 GHBARN CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000012935128 221248454 /nfs/dbraw/zinc/24/84/54/221248454.db2.gz CMCCGKJIIMVWNN-UHFFFAOYSA-N 0 0 384.388 3.619 50 5 GHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324715 221265360 /nfs/dbraw/zinc/26/53/60/221265360.db2.gz CHQHCXVBEHRBRP-UHFFFAOYSA-N 0 0 380.857 3.659 50 5 GHBARN O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccc(O)c(F)c1)c1ccc(O)c(F)c1 ZINC000015017004 221326975 /nfs/dbraw/zinc/32/69/75/221326975.db2.gz GRGRTTGBIAUAGU-UHFFFAOYSA-N 0 0 398.321 3.571 50 5 GHBARN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccs3)cc2)c(C)c1[N+](=O)[O-] ZINC000018081691 221387399 /nfs/dbraw/zinc/38/73/99/221387399.db2.gz NLFKSSIUDIZJCJ-UHFFFAOYSA-N 0 0 384.461 3.790 50 5 GHBARN O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000005154061 136194560 /nfs/dbraw/zinc/19/45/60/136194560.db2.gz VAWRWDOLSOXHQW-UHFFFAOYSA-N 0 0 385.807 3.726 50 5 GHBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000005392319 136194742 /nfs/dbraw/zinc/19/47/42/136194742.db2.gz UXKBVRZMBFKTOS-UHFFFAOYSA-N 0 0 394.475 3.548 50 5 GHBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004757664 136196689 /nfs/dbraw/zinc/19/66/89/136196689.db2.gz XPDLBCSXHIXCHK-UHFFFAOYSA-N 0 0 375.812 3.646 50 5 GHBARN Cc1cnc2c(cccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000029225190 221690190 /nfs/dbraw/zinc/69/01/90/221690190.db2.gz APCSYBMAXNFIGG-UHFFFAOYSA-N 0 0 378.793 3.873 50 5 GHBARN CC[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000033456474 221792599 /nfs/dbraw/zinc/79/25/99/221792599.db2.gz GKFSWHJEVXWQHN-UPZNUWHASA-N 0 0 399.472 3.922 50 5 GHBARN 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SHZAQQOHJOWFBF-UHFFFAOYSA-N 0 0 396.403 3.929 50 5 GHBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000009301108 221076708 /nfs/dbraw/zinc/07/67/08/221076708.db2.gz GYTQWQDOZABPNL-CGXNFDGLSA-N 0 0 387.395 3.664 50 5 GHBARN Cc1nn([C@H](C)C(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-] ZINC000008983962 221066762 /nfs/dbraw/zinc/06/67/62/221066762.db2.gz KMRQZUCJFWFTRG-SECBINFHSA-N 0 0 385.193 3.509 50 5 GHBARN CCOc1cc2c(cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)O[C@H](C)C2 ZINC000010346536 221101087 /nfs/dbraw/zinc/10/10/87/221101087.db2.gz QTRRTWWOBWLZMW-CYBMUJFWSA-N 0 0 386.404 3.643 50 5 GHBARN CNc1ccc(C(=O)OCc2cc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] ZINC000012633748 221216804 /nfs/dbraw/zinc/21/68/04/221216804.db2.gz DEOUQXUDCOSSFK-UHFFFAOYSA-N 0 0 383.360 3.657 50 5 GHBARN CC(C)n1ncc2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cnc21 ZINC000012742462 221223844 /nfs/dbraw/zinc/22/38/44/221223844.db2.gz SZMUNMIEKXNARJ-UHFFFAOYSA-N 0 0 394.435 3.773 50 5 GHBARN Cc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000014077205 221299121 /nfs/dbraw/zinc/29/91/21/221299121.db2.gz HHMIPJPMHQEQMP-UHFFFAOYSA-N 0 0 382.338 3.912 50 5 GHBARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000015317927 221335405 /nfs/dbraw/zinc/33/54/05/221335405.db2.gz LQHKHGSRHXSJAW-UHFFFAOYSA-N 0 0 394.456 3.862 50 5 GHBARN O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 ZINC000017058753 221376484 /nfs/dbraw/zinc/37/64/84/221376484.db2.gz LWSNWZCXWXXUDO-SDQBBNPISA-N 0 0 395.190 3.941 50 5 GHBARN CCOc1ccc(Nc2nc(N3C[C@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000018177041 221389050 /nfs/dbraw/zinc/38/90/50/221389050.db2.gz ILDJFMOHKRDJRP-BETUJISGSA-N 0 0 386.456 3.592 50 5 GHBARN CCCCOc1ccc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c2ccccc12 ZINC000019943354 221466854 /nfs/dbraw/zinc/46/68/54/221466854.db2.gz CLNMBXSUVHTNAK-UHFFFAOYSA-N 0 0 389.433 3.669 50 5 GHBARN Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004757959 136196627 /nfs/dbraw/zinc/19/66/27/136196627.db2.gz YWQIDLIQZNVNBB-UHFFFAOYSA-N 0 0 375.812 3.646 50 5 GHBARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000033096182 221772665 /nfs/dbraw/zinc/77/26/65/221772665.db2.gz DYDOKVFVTMHGKO-LBPRGKRZSA-N 0 0 398.202 3.738 50 5 GHBARN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000056124836 222025489 /nfs/dbraw/zinc/02/54/89/222025489.db2.gz ZRIZTCWRENQLHD-UHFFFAOYSA-N 0 0 394.758 3.746 50 5 GHBARN Cc1nn(C)cc1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785154 222197282 /nfs/dbraw/zinc/19/72/82/222197282.db2.gz MCLSWRALFABTQH-HXUWFJFHSA-N 0 0 377.404 3.698 50 5 GHBARN COc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000095964297 222365206 /nfs/dbraw/zinc/36/52/06/222365206.db2.gz NTSZBRSMMRAJDL-UHFFFAOYSA-N 0 0 378.344 3.763 50 5 GHBARN CCOc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000000831821 521516690 /nfs/dbraw/zinc/51/66/90/521516690.db2.gz QZFKEXZHMHKCDN-UHFFFAOYSA-N 0 0 389.839 3.609 50 5 GHBARN O=[N+]([O-])c1cccc(-c2ncn(CN(Cc3ccccc3)CC(F)(F)F)n2)c1 ZINC000048343047 570239903 /nfs/dbraw/zinc/23/99/03/570239903.db2.gz HODOFQXEJZCRKF-UHFFFAOYSA-N 0 0 391.353 3.875 50 5 GHBARN CCCc1nc2ccccc2n2c(-c3ccccc3)c3c(c12)n(C)c(=O)n(C)c3=O ZINC000001130880 570245419 /nfs/dbraw/zinc/24/54/19/570245419.db2.gz BTKQLGJSOJYCJI-UHFFFAOYSA-N 0 0 398.466 3.658 50 5 GHBARN COC(=O)c1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000048366458 570246356 /nfs/dbraw/zinc/24/63/56/570246356.db2.gz GQQMVXYCNQOSGE-UHFFFAOYSA-N 0 0 398.415 3.587 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000004819961 570246731 /nfs/dbraw/zinc/24/67/31/570246731.db2.gz MDSVMJNUTMZWQU-UHFFFAOYSA-N 0 0 390.355 3.816 50 5 GHBARN COC(=O)c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc([N+](=O)[O-])c1 ZINC000012861805 570268287 /nfs/dbraw/zinc/26/82/87/570268287.db2.gz YANYLNWOBKVEDV-LBPRGKRZSA-N 0 0 386.429 3.913 50 5 GHBARN COCCNc1nn2c(=O)c3c(nc2c2ccccc21)sc1c3CC[C@@H](C)C1 ZINC000002106439 570274900 /nfs/dbraw/zinc/27/49/00/570274900.db2.gz SIWQVTFLBCUDMF-GFCCVEGCSA-N 0 0 394.500 3.641 50 5 GHBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000680947 570290336 /nfs/dbraw/zinc/29/03/36/570290336.db2.gz DRXCMDGSOHNEOK-UHFFFAOYSA-N 0 0 379.825 3.774 50 5 GHBARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004903145 570360808 /nfs/dbraw/zinc/36/08/08/570360808.db2.gz XVEMLTZHNOHROB-INIZCTEOSA-N 0 0 398.893 3.993 50 5 GHBARN Cc1cc(C)n(CCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)n1 ZINC000033326956 570406795 /nfs/dbraw/zinc/40/67/95/570406795.db2.gz MNEADYIZYMZLRP-UHFFFAOYSA-N 0 0 377.477 3.560 50 5 GHBARN Nc1nc(NCc2ccc(Cl)cc2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005163948 570469295 /nfs/dbraw/zinc/46/92/95/570469295.db2.gz DODCLILUCLJVGV-UHFFFAOYSA-N 0 0 376.848 3.977 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Br)cc1 ZINC000006549309 570472699 /nfs/dbraw/zinc/47/26/99/570472699.db2.gz UDXMHTTYYMBPLU-JTQLQIEISA-N 0 0 394.225 3.805 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(F)cc1 ZINC000006552902 570474832 /nfs/dbraw/zinc/47/48/32/570474832.db2.gz UFALSJBWWCJAPL-UHFFFAOYSA-N 0 0 380.397 3.701 50 5 GHBARN Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])coc2c1 ZINC000005184871 570497383 /nfs/dbraw/zinc/49/73/83/570497383.db2.gz VEJPXTSFGLXEAM-UHFFFAOYSA-N 0 0 382.372 3.682 50 5 GHBARN COc1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)nn1 ZINC000005259479 570532962 /nfs/dbraw/zinc/53/29/62/570532962.db2.gz PGRYVTKFRHWORE-UHFFFAOYSA-N 0 0 384.779 3.966 50 5 GHBARN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nn1 ZINC000005259560 570533491 /nfs/dbraw/zinc/53/34/91/570533491.db2.gz PIWWEHNZVWNGCA-UHFFFAOYSA-N 0 0 384.779 3.966 50 5 GHBARN Cc1ccc(Cn2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2=O)cc1 ZINC000005270196 570546409 /nfs/dbraw/zinc/54/64/09/570546409.db2.gz ZKDAPMRCHROIRP-UHFFFAOYSA-N 0 0 377.400 3.674 50 5 GHBARN CCN(C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)c1cccc(C)c1 ZINC000005270810 570547179 /nfs/dbraw/zinc/54/71/79/570547179.db2.gz PWXLCSQXRIVLKE-UHFFFAOYSA-N 0 0 391.427 3.780 50 5 GHBARN COc1ccc(Br)cc1CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000005421537 570589844 /nfs/dbraw/zinc/58/98/44/570589844.db2.gz LTGXMADIGSLFNT-UHFFFAOYSA-N 0 0 379.210 3.638 50 5 GHBARN COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-] ZINC000003265426 570600116 /nfs/dbraw/zinc/60/01/16/570600116.db2.gz ORQRWYCHNAPVHQ-UHFFFAOYSA-N 0 0 397.412 3.589 50 5 GHBARN COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000005785671 570690298 /nfs/dbraw/zinc/69/02/98/570690298.db2.gz KPBRUQVVGZWXMK-DHSIGJKJSA-N 0 0 393.436 3.764 50 5 GHBARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000000885966 570700867 /nfs/dbraw/zinc/70/08/67/570700867.db2.gz WUQPKGBKPLZHCV-UHFFFAOYSA-N 0 0 389.371 3.590 50 5 GHBARN CCOc1ccccc1-n1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006948853 570717316 /nfs/dbraw/zinc/71/73/16/570717316.db2.gz DCTAYVQKCXOKNG-UHFFFAOYSA-N 0 0 377.813 3.774 50 5 GHBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 ZINC000000908402 570724186 /nfs/dbraw/zinc/72/41/86/570724186.db2.gz CFWQAJUALNGISI-UHFFFAOYSA-N 0 0 375.724 3.939 50 5 GHBARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1C ZINC000001158659 570757719 /nfs/dbraw/zinc/75/77/19/570757719.db2.gz SKPGUJCWQGYOKS-FNORWQNLSA-N 0 0 395.824 3.842 50 5 GHBARN CNc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000007047715 570762813 /nfs/dbraw/zinc/76/28/13/570762813.db2.gz WDRWTRVRVADZSJ-UHFFFAOYSA-N 0 0 388.767 3.697 50 5 GHBARN COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)C ZINC000096634988 570775644 /nfs/dbraw/zinc/77/56/44/570775644.db2.gz VFVRQGVWURTGPA-CXUHLZMHSA-N 0 0 382.372 3.735 50 5 GHBARN CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007108157 570791286 /nfs/dbraw/zinc/79/12/86/570791286.db2.gz UUAWYTRIKQUSSJ-UHFFFAOYSA-N 0 0 376.796 3.847 50 5 GHBARN Cc1c(NC(=O)c2cccc(I)c2)cccc1[N+](=O)[O-] ZINC000001218670 570795764 /nfs/dbraw/zinc/79/57/64/570795764.db2.gz HGZRENUNBBJGGV-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000005865229 570798808 /nfs/dbraw/zinc/79/88/08/570798808.db2.gz LCFDOYAMRDAHFY-MRXNPFEDSA-N 0 0 386.795 3.515 50 5 GHBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000007166423 570808785 /nfs/dbraw/zinc/80/87/85/570808785.db2.gz BTHBQNIVWROPJD-UHFFFAOYSA-N 0 0 391.449 3.522 50 5 GHBARN CCc1ccc(Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 ZINC000006026832 570814949 /nfs/dbraw/zinc/81/49/49/570814949.db2.gz BAOMWALEZNXWQU-UHFFFAOYSA-N 0 0 377.466 3.931 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000004685218 570828163 /nfs/dbraw/zinc/82/81/63/570828163.db2.gz JBNXZJCXMYAWMF-UHFFFAOYSA-N 0 0 376.869 3.767 50 5 GHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccccc2)C1 ZINC000012545073 570845790 /nfs/dbraw/zinc/84/57/90/570845790.db2.gz NZGYPOSSIOHVBY-QHCPKHFHSA-N 0 0 398.462 3.755 50 5 GHBARN O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)c1 ZINC000089780840 570912873 /nfs/dbraw/zinc/91/28/73/570912873.db2.gz NMMXVLKWGARMKQ-UHFFFAOYSA-N 0 0 397.499 3.982 50 5 GHBARN Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032935582 570947718 /nfs/dbraw/zinc/94/77/18/570947718.db2.gz HWHXHZNBPXDRNI-UHFFFAOYSA-N 0 0 393.422 3.826 50 5 GHBARN O=C(Nc1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002117854 570950233 /nfs/dbraw/zinc/95/02/33/570950233.db2.gz PMLJQGHTOJLYSY-UHFFFAOYSA-N 0 0 398.396 3.615 50 5 GHBARN Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1-c1ccccc1 ZINC000002115218 570950381 /nfs/dbraw/zinc/95/03/81/570950381.db2.gz SEQSMLDNOYRHHQ-VQHVLOKHSA-N 0 0 397.412 3.976 50 5 GHBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000024600666 570953148 /nfs/dbraw/zinc/95/31/48/570953148.db2.gz AHYLVQIUTJRPRX-UHFFFAOYSA-N 0 0 381.432 3.564 50 5 GHBARN O=[N+]([O-])c1cc2c(c(Nc3ccccc3)n(-c3ccccc3)[n+]2[O-])c([N+](=O)[O-])c1 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396.472 3.891 50 5 GHBARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005126861 570421724 /nfs/dbraw/zinc/42/17/24/570421724.db2.gz HWUYZAGVUYMOKV-UHFFFAOYSA-N 0 0 392.839 3.946 50 5 GHBARN CCCN(CC1CC1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000247992908 570434437 /nfs/dbraw/zinc/43/44/37/570434437.db2.gz LGCQJYDCDJFXPA-IAGOWNOFSA-N 0 0 385.464 3.901 50 5 GHBARN CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1CCc1ccccc1 ZINC000002350299 570475387 /nfs/dbraw/zinc/47/53/87/570475387.db2.gz BCCYYSNHQQSEKH-UHFFFAOYSA-N 0 0 390.439 3.707 50 5 GHBARN O=C(c1ccccc1)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000024206077 570476683 /nfs/dbraw/zinc/47/66/83/570476683.db2.gz GRGXRTHJTLDEBR-HNNXBMFYSA-N 0 0 380.400 3.682 50 5 GHBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl ZINC000006623393 570506934 /nfs/dbraw/zinc/50/69/34/570506934.db2.gz JFBMWHIVSQMLLK-UHFFFAOYSA-N 0 0 378.740 3.650 50 5 GHBARN CCNc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 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QKQUMJATQGIOIR-IBGZPJMESA-N 0 0 388.383 3.506 50 5 GHBARN O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000032641761 570719550 /nfs/dbraw/zinc/71/95/50/570719550.db2.gz HUOHRPVAMUWPQN-ZDUSSCGKSA-N 0 0 376.409 3.794 50 5 GHBARN CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001152283 570759341 /nfs/dbraw/zinc/75/93/41/570759341.db2.gz ZGWQBBGYQZFOAA-UHFFFAOYSA-N 0 0 394.177 3.788 50 5 GHBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc2c(c1)OCO2 ZINC000524729948 570764370 /nfs/dbraw/zinc/76/43/70/570764370.db2.gz PBMCQFBGGRRJOM-UHFFFAOYSA-N 0 0 375.340 3.675 50 5 biogenic GHBARN O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000032779472 570807800 /nfs/dbraw/zinc/80/78/00/570807800.db2.gz LWWBZNDKGMUDEY-UHFFFAOYSA-N 0 0 394.431 3.684 50 5 GHBARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004498416 570808791 /nfs/dbraw/zinc/80/87/91/570808791.db2.gz DQUUVOHZEARTOZ-UHFFFAOYSA-N 0 0 399.756 3.628 50 5 GHBARN CCOc1ccccc1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006006808 570812987 /nfs/dbraw/zinc/81/29/87/570812987.db2.gz WDNGINFOLJEGKL-BQYQJAHWSA-N 0 0 385.372 3.617 50 5 GHBARN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1 ZINC000012486862 570821364 /nfs/dbraw/zinc/82/13/64/570821364.db2.gz LJGGZZHRFLHXGE-UHFFFAOYSA-N 0 0 382.445 3.789 50 5 GHBARN C[C@@H](OCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000032808449 570822620 /nfs/dbraw/zinc/82/26/20/570822620.db2.gz NNTCMCHPKPRFII-CQSZACIVSA-N 0 0 378.450 3.578 50 5 GHBARN Cc1ccc(C)n1NC(=O)c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000032806307 570822728 /nfs/dbraw/zinc/82/27/28/570822728.db2.gz MCAQFNFKLHMXED-UHFFFAOYSA-N 0 0 391.387 3.837 50 5 GHBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cn1 ZINC000005701174 570826521 /nfs/dbraw/zinc/82/65/21/570826521.db2.gz UTFRBHZKGGDUNX-LLVKDONJSA-N 0 0 389.462 3.640 50 5 GHBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000004685216 570828236 /nfs/dbraw/zinc/82/82/36/570828236.db2.gz GGLUIYABMQZVHC-UHFFFAOYSA-N 0 0 376.869 3.767 50 5 GHBARN COc1cc2c(cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1)oc1ccccc12 ZINC000004686732 570831248 /nfs/dbraw/zinc/83/12/48/570831248.db2.gz KTCQEVAVXWXCFL-NSHDSACASA-N 0 0 380.360 3.899 50 5 GHBARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000004696176 570836630 /nfs/dbraw/zinc/83/66/30/570836630.db2.gz ZLCFGIUTIVPIDX-UHFFFAOYSA-N 0 0 390.808 3.931 50 5 GHBARN Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004701784 570842431 /nfs/dbraw/zinc/84/24/31/570842431.db2.gz YPXASEYNPFBPEF-UHFFFAOYSA-N 0 0 398.415 3.747 50 5 GHBARN COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000024452553 570862821 /nfs/dbraw/zinc/86/28/21/570862821.db2.gz OJTVYOTVNBZSNB-NSHDSACASA-N 0 0 376.796 3.868 50 5 GHBARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000032909236 570910803 /nfs/dbraw/zinc/91/08/03/570910803.db2.gz JDBWBYIBYVXVRQ-UHFFFAOYSA-N 0 0 398.440 3.999 50 5 GHBARN CCc1cccc2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc21 ZINC000004583478 570915559 /nfs/dbraw/zinc/91/55/59/570915559.db2.gz KQQQDBCRDASBGS-UHFFFAOYSA-N 0 0 396.472 3.729 50 5 GHBARN CCN1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000252536165 570990654 /nfs/dbraw/zinc/99/06/54/570990654.db2.gz HSIAIJYOBVXWCX-UHFFFAOYSA-N 0 0 385.489 3.832 50 5 GHBARN Cc1nn(CC(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)c(C)c1[N+](=O)[O-] ZINC000072295518 571095557 /nfs/dbraw/zinc/09/55/57/571095557.db2.gz BNNBZFDUSLBAQH-OAHLLOKOSA-N 0 0 393.447 3.690 50 5 GHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1cccc2ccccc21 ZINC000003234507 835532053 /nfs/dbraw/zinc/53/20/53/835532053.db2.gz FSVWLSYWOPGGDK-OUKQBFOZSA-N 0 0 376.368 3.943 50 5 GHBARN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000002854953 861699543 /nfs/dbraw/zinc/69/95/43/861699543.db2.gz FZFIDAZWLRVLIG-UHFFFAOYSA-N 0 0 387.461 3.607 50 5 GHBARN O=[N+]([O-])c1cccc(C2N=NC(=S)N2c2ccc(Br)cc2)c1 ZINC000002911278 861780330 /nfs/dbraw/zinc/78/03/30/861780330.db2.gz QFCJBUCOMWUKLI-UHFFFAOYSA-N 0 0 377.223 3.894 50 5 GHBARN COc1cccc(Nc2nnc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)s2)c1 ZINC000002956117 862064484 /nfs/dbraw/zinc/06/44/84/862064484.db2.gz HXQDHWNXFURUMK-UHFFFAOYSA-N 0 0 396.384 3.972 50 5 GHBARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003590891 862507901 /nfs/dbraw/zinc/50/79/01/862507901.db2.gz HYIRYOXFQXLRGZ-UHFFFAOYSA-N 0 0 376.796 3.915 50 5 GHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc2c3ccccc3oc(=O)c12 ZINC000004108193 862794908 /nfs/dbraw/zinc/79/49/08/862794908.db2.gz GMQSVPWDTCPMLT-UHFFFAOYSA-N 0 0 375.340 3.810 50 5 GHBARN CN(C)c1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000040110672 856666291 /nfs/dbraw/zinc/66/62/91/856666291.db2.gz MZRILAZNXPHZAT-UHFFFAOYSA-N 0 0 392.415 3.778 50 5 GHBARN Cc1sc2nc(SCCOc3cccc([N+](=O)[O-])c3)n(C)c(=O)c2c1C ZINC000040122977 856671785 /nfs/dbraw/zinc/67/17/85/856671785.db2.gz BUTGEDSMUICFSB-UHFFFAOYSA-N 0 0 391.474 3.691 50 5 GHBARN O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000019315399 860185401 /nfs/dbraw/zinc/18/54/01/860185401.db2.gz YYJKHFPKIRBVEV-AWEZNQCLSA-N 0 0 394.686 3.897 50 5 GHBARN O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1C[C@H]1CCCO1 ZINC000020602294 860617032 /nfs/dbraw/zinc/61/70/32/860617032.db2.gz OTETXXJEDBWIBO-VGVSSDJJSA-N 0 0 399.428 3.503 50 5 GHBARN CCc1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1 ZINC000020897997 860668971 /nfs/dbraw/zinc/66/89/71/860668971.db2.gz LHDGWVATEWHWFH-UHFFFAOYSA-N 0 0 379.420 3.534 50 5 GHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCOc1ccc(Br)cc1 ZINC000033653760 884682288 /nfs/dbraw/zinc/68/22/88/884682288.db2.gz BOIOFUAIOSVOEO-KMKOMSMNSA-N 0 0 392.205 3.993 50 5 GHBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033449060 893007807 /nfs/dbraw/zinc/00/78/07/893007807.db2.gz YHYUQRCGIWXAOW-DAXSKMNVSA-N 0 0 385.851 3.719 50 5 GHBARN O=[N+]([O-])c1ccc(NCc2cccnc2-n2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000253418861 915988079 /nfs/dbraw/zinc/98/80/79/915988079.db2.gz BVTYJNACNXIFCT-UHFFFAOYSA-N 0 0 390.359 3.849 50 5 GHBARN O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(Cl)c1 ZINC000001427692 212243766 /nfs/dbraw/zinc/24/37/66/212243766.db2.gz CFIHAMJATJXKSP-OAHLLOKOSA-N 0 0 384.775 3.580 50 5 GHBARN CCOc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OCC ZINC000001194882 212227777 /nfs/dbraw/zinc/22/77/77/212227777.db2.gz RGQNVUQRBFBDKO-UHFFFAOYSA-N 0 0 389.404 3.835 50 5 GHBARN O=C(NC[C@@H]1CCCO1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001148950 212223681 /nfs/dbraw/zinc/22/36/81/212223681.db2.gz RTYNGGGOBWUWSY-HNNXBMFYSA-N 0 0 376.796 3.949 50 5 GHBARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000000971858 212200947 /nfs/dbraw/zinc/20/09/47/212200947.db2.gz ISQONCFOXXZDJL-IBGZPJMESA-N 0 0 377.425 3.938 50 5 GHBARN Cc1c(NC(=O)c2ccc(I)cc2)cccc1[N+](=O)[O-] ZINC000000917886 212194857 /nfs/dbraw/zinc/19/48/57/212194857.db2.gz YEIGRIMXXZJXQK-UHFFFAOYSA-N 0 0 382.157 3.760 50 5 GHBARN CCOC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 ZINC000000845301 212188042 /nfs/dbraw/zinc/18/80/42/212188042.db2.gz SQUFVHFSDIJCBT-UHFFFAOYSA-N 0 0 380.282 3.500 50 5 GHBARN COc1cc2c(cc1OC)C1(CCOCC1)CN=C2c1cccc([N+](=O)[O-])c1 ZINC000000820033 212185342 /nfs/dbraw/zinc/18/53/42/212185342.db2.gz VOQOSQJCLOOMQS-UHFFFAOYSA-N 0 0 382.416 3.511 50 5 GHBARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000002501371 220539539 /nfs/dbraw/zinc/53/95/39/220539539.db2.gz BAKBPXORICPROU-QGZVFWFLSA-N 0 0 378.475 3.648 50 5 GHBARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000003311900 220625454 /nfs/dbraw/zinc/62/54/54/220625454.db2.gz COIATEORNMEVHP-UHFFFAOYSA-N 0 0 378.428 3.774 50 5 GHBARN COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000005034568 220817387 /nfs/dbraw/zinc/81/73/87/220817387.db2.gz BEKLOVVSSUGRKZ-UHFFFAOYSA-N 0 0 396.355 3.902 50 5 GHBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccccc1 ZINC000005224582 220846669 /nfs/dbraw/zinc/84/66/69/220846669.db2.gz HSXWCASSDYJOCH-NSHDSACASA-N 0 0 396.321 3.840 50 5 GHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccc(Cl)cc1Cl ZINC000006831583 220968805 /nfs/dbraw/zinc/96/88/05/220968805.db2.gz XGVSBNNSMIVRKI-MRVPVSSYSA-N 0 0 390.248 3.722 50 5 GHBARN C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007081543 220985844 /nfs/dbraw/zinc/98/58/44/220985844.db2.gz FDDKREMLVBNHBW-LLVKDONJSA-N 0 0 386.437 3.816 50 5 GHBARN CCOC(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)cc([N+](=O)[O-])c1 ZINC000007121118 220987161 /nfs/dbraw/zinc/98/71/61/220987161.db2.gz CNTPDBSRXXITPT-MRXNPFEDSA-N 0 0 376.434 3.960 50 5 GHBARN Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000007736828 221009139 /nfs/dbraw/zinc/00/91/39/221009139.db2.gz BLBPJNYDOXXWSW-UHFFFAOYSA-N 0 0 375.812 3.705 50 5 GHBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000008161273 221028851 /nfs/dbraw/zinc/02/88/51/221028851.db2.gz RYJXMIHMCZICAC-IFXJQAMLSA-N 0 0 386.404 3.559 50 5 GHBARN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1F ZINC000008209339 221031504 /nfs/dbraw/zinc/03/15/04/221031504.db2.gz PXSWCARWXJHTKZ-UHFFFAOYSA-N 0 0 392.343 3.654 50 5 GHBARN O=C(CSc1nc2cc(Br)cnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000008682476 221049421 /nfs/dbraw/zinc/04/94/21/221049421.db2.gz LLMQDIQQXCJSHY-UHFFFAOYSA-N 0 0 393.222 3.604 50 5 aggregator GHBARN CNc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000008728086 221052657 /nfs/dbraw/zinc/05/26/57/221052657.db2.gz USPNOHIQUIUEPT-UHFFFAOYSA-N 0 0 377.784 3.704 50 5 GHBARN Cn1c2ccccc2c2nnc(Sc3cc4nsnc4c([N+](=O)[O-])c3)nc21 ZINC000012428116 221192103 /nfs/dbraw/zinc/19/21/03/221192103.db2.gz RKRCPGPKMBXADU-UHFFFAOYSA-N 0 0 395.429 3.581 50 5 GHBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1OCC(F)(F)F ZINC000012523483 221201176 /nfs/dbraw/zinc/20/11/76/221201176.db2.gz FPPVNGKDDRFYQX-UHFFFAOYSA-N 0 0 383.326 3.977 50 5 GHBARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012556368 221207380 /nfs/dbraw/zinc/20/73/80/221207380.db2.gz VLJNRJLVXQBBKU-UHFFFAOYSA-N 0 0 394.406 3.553 50 5 GHBARN C[C@@H]1C[C@H](C)CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1 ZINC000013758668 221287912 /nfs/dbraw/zinc/28/79/12/221287912.db2.gz NXWIWMCDJGWCDM-TXEJJXNPSA-N 0 0 390.875 3.715 50 5 GHBARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000014267224 221308458 /nfs/dbraw/zinc/30/84/58/221308458.db2.gz ARJBHVPIDLWUPM-UHFFFAOYSA-N 0 0 389.371 3.760 50 5 GHBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(F)cc1 ZINC000015101610 221333046 /nfs/dbraw/zinc/33/30/46/221333046.db2.gz SNKXTQQHIKNINH-CYBMUJFWSA-N 0 0 386.383 3.856 50 5 GHBARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016477058 221363072 /nfs/dbraw/zinc/36/30/72/221363072.db2.gz SRVSCOKHGGSFOL-UHFFFAOYSA-N 0 0 391.339 3.986 50 5 GHBARN Cn1c(CNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21 ZINC000016695595 221368828 /nfs/dbraw/zinc/36/88/28/221368828.db2.gz KFXFXIVCSJOWRZ-UHFFFAOYSA-N 0 0 376.372 3.672 50 5 GHBARN O=c1c2ccc[nH]c-2c(Nc2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cc1 ZINC000021104327 221525922 /nfs/dbraw/zinc/52/59/22/221525922.db2.gz CDYYIHZRJSVHLW-IBGZPJMESA-N 0 0 378.363 3.896 50 5 GHBARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021090625 221526412 /nfs/dbraw/zinc/52/64/12/221526412.db2.gz WOJBJZXAGBWOKA-MRXNPFEDSA-N 0 0 390.193 3.596 50 5 GHBARN COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)C ZINC000006400141 533474064 /nfs/dbraw/zinc/47/40/64/533474064.db2.gz VFVRQGVWURTGPA-SXGWCWSVSA-N 0 0 382.372 3.735 50 5 GHBARN COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1OC ZINC000057681917 136153786 /nfs/dbraw/zinc/15/37/86/136153786.db2.gz PLJQMPUCOUFXIZ-UHFFFAOYSA-N 0 0 391.855 3.588 50 5 GHBARN CCc1ccc2c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1 ZINC000058160381 136154644 /nfs/dbraw/zinc/15/46/44/136154644.db2.gz 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ZINC000033288704 570956232 /nfs/dbraw/zinc/95/62/32/570956232.db2.gz XECQYQAJSTVAFO-FLIBITNWSA-N 0 0 385.445 3.676 50 5 GHBARN CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000098053345 842554524 /nfs/dbraw/zinc/55/45/24/842554524.db2.gz RTTDSYYZRMTADP-FWLQQBITSA-N 0 0 384.388 3.577 50 5 GHBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002754528 861580939 /nfs/dbraw/zinc/58/09/39/861580939.db2.gz AELGBYAYPUIDGR-UHFFFAOYSA-N 0 0 398.231 3.860 50 5 GHBARN COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000079071815 847265324 /nfs/dbraw/zinc/26/53/24/847265324.db2.gz AKWLPKQGQLKHKA-UHFFFAOYSA-N 0 0 378.768 3.604 50 5 GHBARN CN1c2ccccc2C(C)(C)/C1=C\C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003166217 862224686 /nfs/dbraw/zinc/22/46/86/862224686.db2.gz ZNXVUAPDEBYIQD-SFQUDFHCSA-N 0 0 381.457 3.964 50 5 GHBARN O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccco1 ZINC000003206623 862248866 /nfs/dbraw/zinc/24/88/66/862248866.db2.gz CHKFYDOJZYMSLA-UHFFFAOYSA-N 0 0 396.315 3.601 50 5 GHBARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003262198 862291549 /nfs/dbraw/zinc/29/15/49/862291549.db2.gz KJGUQZFHPGEZOS-UHFFFAOYSA-N 0 0 386.404 3.587 50 5 GHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000003450153 862421915 /nfs/dbraw/zinc/42/19/15/862421915.db2.gz ZMNLDOKHFIMOCG-GHMZBOCLSA-N 0 0 394.786 3.810 50 5 GHBARN O=C(CSc1nc2ccccc2c(NC2CC2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000031784264 862688837 /nfs/dbraw/zinc/68/88/37/862688837.db2.gz NKNZOGUALPRWDC-UHFFFAOYSA-N 0 0 395.444 3.843 50 5 GHBARN CN(C)c1c(C(=O)Nc2cccc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014491 862714899 /nfs/dbraw/zinc/71/48/99/862714899.db2.gz CRMUXJFXFUWXBQ-UHFFFAOYSA-N 0 0 380.360 3.975 50 5 GHBARN COC(=O)c1ccc(OCc2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])c1 ZINC000040024540 856633669 /nfs/dbraw/zinc/63/36/69/856633669.db2.gz AILNWNFDMCOOSM-UHFFFAOYSA-N 0 0 381.388 3.763 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000004176598 862842036 /nfs/dbraw/zinc/84/20/36/862842036.db2.gz PPAAZNHRDWCQER-UHFFFAOYSA-N 0 0 385.254 3.539 50 5 GHBARN COC(=O)c1ccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 ZINC000004284297 862934470 /nfs/dbraw/zinc/93/44/70/862934470.db2.gz WLXDBEWNQITVMA-UHFFFAOYSA-N 0 0 389.414 3.819 50 5 GHBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCCO2 ZINC000007983422 862963932 /nfs/dbraw/zinc/96/39/32/862963932.db2.gz LPUCGVRPUNECFP-QGZVFWFLSA-N 0 0 376.434 3.945 50 5 GHBARN O=c1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)coc2ccc(Cl)cc12 ZINC000055292348 858933641 /nfs/dbraw/zinc/93/36/41/858933641.db2.gz AEBWMGUSDJFVRS-UHFFFAOYSA-N 0 0 399.834 3.677 50 5 GHBARN O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12 ZINC000002439415 859180209 /nfs/dbraw/zinc/18/02/09/859180209.db2.gz RMGNTXFQOHBPMZ-UHFFFAOYSA-N 0 0 388.354 3.950 50 5 GHBARN C[C@H](CNC(=O)c1cccn2c(=O)c3cc(F)ccc3nc12)c1ccccc1 ZINC000046159069 859645735 /nfs/dbraw/zinc/64/57/35/859645735.db2.gz CDKMUKCQXSXILZ-CQSZACIVSA-N 0 0 375.403 3.520 50 5 GHBARN CC[C@@]1(c2ccccc2)OC(COc2ccc(C)cc2[N+](=O)[O-])=NN1C(C)=O ZINC000021090972 860711281 /nfs/dbraw/zinc/71/12/81/860711281.db2.gz POGVGSQYMDMVRJ-FQEVSTJZSA-N 0 0 383.404 3.737 50 5 GHBARN C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096276039 914310042 /nfs/dbraw/zinc/31/00/42/914310042.db2.gz ZVBAIMORRDLHRY-SECBINFHSA-N 0 0 389.318 3.806 50 5 GHBARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019941786 900060822 /nfs/dbraw/zinc/06/08/22/900060822.db2.gz RDIJVEYEWKKPQA-CQSZACIVSA-N 0 0 377.809 3.690 50 5 GHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCOc1ccc(Br)cc1 ZINC000003290912 901105172 /nfs/dbraw/zinc/10/51/72/901105172.db2.gz BOIOFUAIOSVOEO-XCVCLJGOSA-N 0 0 392.205 3.993 50 5 GHBARN CCc1nn(Cc2ccccc2)c(CC)c1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000864096622 907565964 /nfs/dbraw/zinc/56/59/64/907565964.db2.gz LUIDUZQGEGGQHO-UHFFFAOYSA-N 0 0 381.436 3.677 50 5 GHBARN O=C(N[C@@H]1CCCC[C@H]1SC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000643919782 926991989 /nfs/dbraw/zinc/99/19/89/926991989.db2.gz RTQXZWIIZHUBFF-VXGBXAGGSA-N 0 0 393.343 3.797 50 5 GHBARN O=C(/C=C\c1cccc(C(F)(F)F)c1)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035681457 934135050 /nfs/dbraw/zinc/13/50/50/934135050.db2.gz LPUXDUMMURGQDG-WTKPLQERSA-N 0 0 394.305 3.809 50 5 GHBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc2c(c1)OCCO2 ZINC000409415542 231205157 /nfs/dbraw/zinc/20/51/57/231205157.db2.gz OMNATVODZWOXBP-UHFFFAOYSA-N 0 0 389.367 3.717 50 5 biogenic GHBARN O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001862906 212259167 /nfs/dbraw/zinc/25/91/67/212259167.db2.gz GAJDPRHYSYMAFB-UHFFFAOYSA-N 0 0 383.381 3.594 50 5 GHBARN Cc1cc(=O)oc2cc(Oc3nc([N+](=O)[O-])nn3Cc3ccccc3F)ccc12 ZINC000001425680 212243213 /nfs/dbraw/zinc/24/32/13/212243213.db2.gz XFHHZBANNMQVFV-UHFFFAOYSA-N 0 0 396.334 3.581 50 5 GHBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000001218480 212230973 /nfs/dbraw/zinc/23/09/73/212230973.db2.gz SDGKRVYQTDGUFI-UHFFFAOYSA-N 0 0 381.344 3.701 50 5 GHBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(I)cc3)n2)c1 ZINC000001194257 212228773 /nfs/dbraw/zinc/22/87/73/212228773.db2.gz OWLRFUCXQRFKJV-UHFFFAOYSA-N 0 0 393.140 3.916 50 5 GHBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000001176035 212226186 /nfs/dbraw/zinc/22/61/86/212226186.db2.gz HLLGMOUMBBKDGB-UHFFFAOYSA-N 0 0 379.382 3.931 50 5 GHBARN O=C(OCc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001136108 212221713 /nfs/dbraw/zinc/22/17/13/212221713.db2.gz RUIDTMLRNLMIHR-UHFFFAOYSA-N 0 0 397.408 3.785 50 5 GHBARN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000001141165 212221733 /nfs/dbraw/zinc/22/17/33/212221733.db2.gz QBEVKRNBJAGMHE-UHFFFAOYSA-N 0 0 377.784 3.614 50 5 GHBARN COc1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000001116498 212219460 /nfs/dbraw/zinc/21/94/60/212219460.db2.gz HEZPDFBXHRSQSU-UHFFFAOYSA-N 0 0 389.458 3.622 50 5 GHBARN CCOC(=O)c1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000001119993 212218719 /nfs/dbraw/zinc/21/87/19/212218719.db2.gz MKRPZIKCWVWYLM-UHFFFAOYSA-N 0 0 375.406 3.589 50 5 GHBARN O=c1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2oc2ncccc12 ZINC000001042513 212209437 /nfs/dbraw/zinc/20/94/37/212209437.db2.gz WYODUAQSPVTPHM-UHFFFAOYSA-N 0 0 386.816 3.795 50 5 GHBARN Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001041691 212208955 /nfs/dbraw/zinc/20/89/55/212208955.db2.gz FPWRLPMUFHMVPF-UHFFFAOYSA-N 0 0 394.250 3.793 50 5 GHBARN O=C1c2cc(Br)c([N+](=O)[O-])cc2C(=O)N1c1cccc(Cl)c1 ZINC000001068283 212212187 /nfs/dbraw/zinc/21/21/87/212212187.db2.gz SZGLNNOGNAPOAL-UHFFFAOYSA-N 0 0 381.569 3.811 50 5 GHBARN CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2c3ccccc3oc(=O)c12 ZINC000001059033 212211103 /nfs/dbraw/zinc/21/11/03/212211103.db2.gz BCRVEZAIFSXGIQ-UHFFFAOYSA-N 0 0 390.355 3.660 50 5 GHBARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000956355 212200304 /nfs/dbraw/zinc/20/03/04/212200304.db2.gz FZDGWIHQEUEJPL-LJQANCHMSA-N 0 0 395.415 3.698 50 5 GHBARN Cc1nn(Cc2nnc(Nc3ccc(F)c(Cl)c3)s2)c(C)c1[N+](=O)[O-] ZINC000001012027 212203870 /nfs/dbraw/zinc/20/38/70/212203870.db2.gz RXFCRIDXXNZVKR-UHFFFAOYSA-N 0 0 382.808 3.844 50 5 GHBARN O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 ZINC000000911198 212193190 /nfs/dbraw/zinc/19/31/90/212193190.db2.gz OPVWJSWIFMUYFP-WQRHYEAKSA-N 0 0 389.392 3.625 50 5 GHBARN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000000878033 212192764 /nfs/dbraw/zinc/19/27/64/212192764.db2.gz VVWKEAUFTHMUPG-UHFFFAOYSA-N 0 0 377.425 3.973 50 5 GHBARN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[N@@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000034694746 212162483 /nfs/dbraw/zinc/16/24/83/212162483.db2.gz ZEIJEQYZXPMRKI-XHDPSFHLSA-N 0 0 387.465 3.534 50 5 GHBARN COc1cc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000097272332 212157127 /nfs/dbraw/zinc/15/71/27/212157127.db2.gz VKCKAMWHFWZLJA-UITAMQMPSA-N 0 0 399.378 3.521 50 5 GHBARN COc1ccc(-c2noc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000334162125 212108108 /nfs/dbraw/zinc/10/81/08/212108108.db2.gz JZOIFCHOMXVIQC-QGZVFWFLSA-N 0 0 396.403 3.781 50 5 GHBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1=O ZINC000002414474 220531379 /nfs/dbraw/zinc/53/13/79/220531379.db2.gz UTDOORRCCBEOCH-HIFRSBDPSA-N 0 0 391.475 3.753 50 5 GHBARN O=[N+]([O-])c1cc(CSc2nnc(-c3cccs3)o2)c2c(c1)COCO2 ZINC000002660904 220550143 /nfs/dbraw/zinc/55/01/43/220550143.db2.gz BZJKUANHGJWCBC-UHFFFAOYSA-N 0 0 377.403 3.865 50 5 GHBARN Cc1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)n1-c1ccccc1 ZINC000003447146 220645667 /nfs/dbraw/zinc/64/56/67/220645667.db2.gz MCGWSNBGFDQYTK-UHFFFAOYSA-N 0 0 394.416 3.826 50 5 GHBARN O=[N+]([O-])c1ccc2[nH]c(CCCCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 ZINC000005005597 220809128 /nfs/dbraw/zinc/80/91/28/220809128.db2.gz WHFWYIBXGBGXFO-UHFFFAOYSA-N 0 0 380.364 3.821 50 5 GHBARN Cn1c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005827433 220900413 /nfs/dbraw/zinc/90/04/13/220900413.db2.gz HGGJFOKSCWJDPM-UHFFFAOYSA-N 0 0 376.825 3.866 50 5 GHBARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000006785786 220961358 /nfs/dbraw/zinc/96/13/58/220961358.db2.gz XPOWONRYEZWILN-UHFFFAOYSA-N 0 0 396.424 3.988 50 5 GHBARN COc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000007912216 221015328 /nfs/dbraw/zinc/01/53/28/221015328.db2.gz LPKAZPIQMYHDFD-BQYQJAHWSA-N 0 0 383.809 3.710 50 5 GHBARN CCOc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccc(Cl)cc2)cc1OC ZINC000007996913 221022928 /nfs/dbraw/zinc/02/29/28/221022928.db2.gz SGHXONCBPZHNBJ-UHFFFAOYSA-N 0 0 395.795 3.891 50 5 GHBARN COc1ccc(Cl)cc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007881341 221015912 /nfs/dbraw/zinc/01/59/12/221015912.db2.gz ZFOJRQMUHCMCIZ-UHFFFAOYSA-N 0 0 384.219 3.752 50 5 GHBARN C[C@H](Sc1nnc(-c2ccco2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009514867 221083676 /nfs/dbraw/zinc/08/36/76/221083676.db2.gz 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CC(C)OC(=O)C[C@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000008935822 221064688 /nfs/dbraw/zinc/06/46/88/221064688.db2.gz PCRUXNWTFLOEHU-SFHVURJKSA-N 0 0 399.447 3.819 50 5 GHBARN COc1ccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc1 ZINC000008586882 221044663 /nfs/dbraw/zinc/04/46/63/221044663.db2.gz KDPPIZYZRFNVET-INIZCTEOSA-N 0 0 396.403 3.911 50 5 GHBARN Cc1cccc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)n1 ZINC000008706939 221050240 /nfs/dbraw/zinc/05/02/40/221050240.db2.gz UAWQNMPSQNRJNX-UHFFFAOYSA-N 0 0 391.412 3.544 50 5 GHBARN O=C(CSc1nccn1C1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000008725540 221052841 /nfs/dbraw/zinc/05/28/41/221052841.db2.gz XBICIXXVVPYWBC-UHFFFAOYSA-N 0 0 386.355 3.876 50 5 GHBARN COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000008745846 221053601 /nfs/dbraw/zinc/05/36/01/221053601.db2.gz MEGUZHNCSCEDTO-UHFFFAOYSA-N 0 0 378.768 3.670 50 5 GHBARN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232566 221075209 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/nfs/dbraw/zinc/81/80/02/570818002.db2.gz AHSFEERWCONMPA-UHFFFAOYSA-N 0 0 380.400 3.543 50 5 GHBARN Cc1ccc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000024418514 570819421 /nfs/dbraw/zinc/81/94/21/570819421.db2.gz FUTJMEKKOUHDOZ-UHFFFAOYSA-N 0 0 382.416 3.546 50 5 GHBARN CCc1ccccc1N(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000031672061 570819508 /nfs/dbraw/zinc/81/95/08/570819508.db2.gz SSWVZWUSKLBMER-UHFFFAOYSA-N 0 0 398.444 3.508 50 5 GHBARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007342080 570831859 /nfs/dbraw/zinc/83/18/59/570831859.db2.gz QOKZYASZEMRVPP-UHFFFAOYSA-N 0 0 382.445 3.772 50 5 GHBARN CCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004529290 570841039 /nfs/dbraw/zinc/84/10/39/570841039.db2.gz CJBWWPFIRGISAV-LLVKDONJSA-N 0 0 399.618 3.528 50 5 GHBARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004703031 570842798 /nfs/dbraw/zinc/84/27/98/570842798.db2.gz OBTUYYZQUBSQHZ-INIZCTEOSA-N 0 0 381.432 3.929 50 5 GHBARN CCNc1cc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004703638 570842902 /nfs/dbraw/zinc/84/29/02/570842902.db2.gz INDZNFYWJKSYQF-UHFFFAOYSA-N 0 0 382.464 3.551 50 5 GHBARN Cc1ccc(-c2noc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)cc1 ZINC000004562400 570889328 /nfs/dbraw/zinc/88/93/28/570889328.db2.gz UYJVPCLKSKDUNF-UHFFFAOYSA-N 0 0 392.415 3.973 50 5 GHBARN CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000045797265 570996609 /nfs/dbraw/zinc/99/66/09/570996609.db2.gz STWIYPHFQJBBAF-UHFFFAOYSA-N 0 0 389.260 3.863 50 5 GHBARN CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1 ZINC000002202440 571000965 /nfs/dbraw/zinc/00/09/65/571000965.db2.gz LVXNJIJKBCSPBQ-UHFFFAOYSA-N 0 0 376.412 3.512 50 5 GHBARN Cc1c(CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cccc1[N+](=O)[O-] ZINC000047354314 840764335 /nfs/dbraw/zinc/76/43/35/840764335.db2.gz NIUGOXZXDRZULR-FQEVSTJZSA-N 0 0 379.372 3.617 50 5 GHBARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000098000673 842075421 /nfs/dbraw/zinc/07/54/21/842075421.db2.gz DGNXFNUWKKYIOY-KHPPLWFESA-N 0 0 376.416 3.511 50 5 GHBARN COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002796612 861631094 /nfs/dbraw/zinc/63/10/94/861631094.db2.gz SHXIQHFRUFAFEH-UHFFFAOYSA-N 0 0 380.404 3.717 50 5 GHBARN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccncc2)n1C1CC1 ZINC000029406127 861922475 /nfs/dbraw/zinc/92/24/75/861922475.db2.gz GOYCJLMJIBAHGY-UHFFFAOYSA-N 0 0 397.416 3.521 50 5 GHBARN O=C(c1cccc2ccccc21)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000029527541 861979089 /nfs/dbraw/zinc/97/90/89/861979089.db2.gz YXEVVEUXXSITSX-UHFFFAOYSA-N 0 0 379.391 3.850 50 5 GHBARN Cc1ccc(CNC(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)cc1 ZINC000002957387 862064434 /nfs/dbraw/zinc/06/44/34/862064434.db2.gz MFBDUAAZXJHMBS-UHFFFAOYSA-N 0 0 377.831 3.740 50 5 GHBARN CC(C)OCCCNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002959583 862064582 /nfs/dbraw/zinc/06/45/82/862064582.db2.gz SOTAPNISIBSUGO-UHFFFAOYSA-N 0 0 394.500 3.869 50 5 GHBARN CNc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] ZINC000031562506 862621243 /nfs/dbraw/zinc/62/12/43/862621243.db2.gz LKSWCVDNDKYEPN-GFCCVEGCSA-N 0 0 397.410 3.761 50 5 GHBARN CC(C)(COc1nonc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004018572 862718123 /nfs/dbraw/zinc/71/81/23/862718123.db2.gz JAWVEGCYKGJQRC-UHFFFAOYSA-N 0 0 399.363 3.823 50 5 GHBARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 ZINC000004200623 862862178 /nfs/dbraw/zinc/86/21/78/862862178.db2.gz COUMNKUTQBVRKD-UHFFFAOYSA-N 0 0 375.362 3.581 50 5 GHBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cccc2ccccc21 ZINC000002512873 860222841 /nfs/dbraw/zinc/22/28/41/860222841.db2.gz SCDUCSSBPVTYAP-UHFFFAOYSA-N 0 0 376.821 3.880 50 5 GHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020484973 860584537 /nfs/dbraw/zinc/58/45/37/860584537.db2.gz QDQTUWRXKPKQDK-UHFFFAOYSA-N 0 0 396.428 3.862 50 5 GHBARN CC(C)CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096275705 860835002 /nfs/dbraw/zinc/83/50/02/860835002.db2.gz RFCJJWMVEGBZKZ-UHFFFAOYSA-N 0 0 394.431 3.986 50 5 GHBARN C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C(N)=O)c2C1 ZINC000004177485 874037245 /nfs/dbraw/zinc/03/72/45/874037245.db2.gz TYTFSEOVTSLWGF-QMMMGPOBSA-N 0 0 393.852 3.786 50 5 GHBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000095444478 913460811 /nfs/dbraw/zinc/46/08/11/913460811.db2.gz QJRMVZBEMJVYGC-UHFFFAOYSA-N 0 0 376.319 3.816 50 5 GHBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000003290141 901103144 /nfs/dbraw/zinc/10/31/44/901103144.db2.gz VRJKSMOPOWPCCT-ZRDIBKRKSA-N 0 0 392.415 3.558 50 5 GHBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000006490372 917070626 /nfs/dbraw/zinc/07/06/26/917070626.db2.gz VRJKSMOPOWPCCT-BENRWUELSA-N 0 0 392.415 3.558 50 5 GHBARN Cc1ccc(NC(=O)COC(=O)c2csc3c2CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000002642901 230826273 /nfs/dbraw/zinc/82/62/73/230826273.db2.gz KRRHSORJUCDCGA-NSHDSACASA-N 0 0 388.445 3.885 50 5 GHBARN C[C@@H]1c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc3c2N(CCC3)C1=O ZINC000101078594 231009180 /nfs/dbraw/zinc/00/91/80/231009180.db2.gz CVDJFYZWFCQATA-SNVBAGLBSA-N 0 0 385.807 3.897 50 5 GHBARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001207253 212229810 /nfs/dbraw/zinc/22/98/10/212229810.db2.gz FUOCUISHQOYNHP-UHFFFAOYSA-N 0 0 393.399 3.944 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001207435 212229052 /nfs/dbraw/zinc/22/90/52/212229052.db2.gz QIPXFLYUNNQFIT-UHFFFAOYSA-N 0 0 390.355 3.816 50 5 GHBARN Cc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000001193781 212227721 /nfs/dbraw/zinc/22/77/21/212227721.db2.gz LYSAXXDQFWKUEB-UHFFFAOYSA-N 0 0 378.178 3.705 50 5 GHBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000001170050 212224969 /nfs/dbraw/zinc/22/49/69/212224969.db2.gz YRHRRYFJSXXSTR-UHFFFAOYSA-N 0 0 398.213 3.623 50 5 GHBARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000001116272 212219231 /nfs/dbraw/zinc/21/92/31/212219231.db2.gz OLJROYARFUWXRE-UHFFFAOYSA-N 0 0 394.387 3.518 50 5 GHBARN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000000944956 212198953 /nfs/dbraw/zinc/19/89/53/212198953.db2.gz WVRGGNDOMAINLT-LXSSAFMLSA-N 0 0 385.445 3.532 50 5 GHBARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000845457 212188489 /nfs/dbraw/zinc/18/84/89/212188489.db2.gz CUXQAQSPRRZJSK-GOSISDBHSA-N 0 0 382.397 3.589 50 5 GHBARN Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000009157686 212164224 /nfs/dbraw/zinc/16/42/24/212164224.db2.gz GWHLEQBQPJJDEX-UHFFFAOYSA-N 0 0 387.726 3.571 50 5 GHBARN COc1cccc(C(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)c1 ZINC000004083616 212146796 /nfs/dbraw/zinc/14/67/96/212146796.db2.gz TWQPZNFOCLIDJW-UHFFFAOYSA-N 0 0 376.364 3.922 50 5 biogenic GHBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccccc3)nc21 ZINC000002241172 220514309 /nfs/dbraw/zinc/51/43/09/220514309.db2.gz OQAPVUIHVDYBRC-UHFFFAOYSA-N 0 0 383.407 3.557 50 5 GHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002779281 220564729 /nfs/dbraw/zinc/56/47/29/220564729.db2.gz YETNCBYKFCCPRN-UHFFFAOYSA-N 0 0 391.309 3.844 50 5 GHBARN Cc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000002985741 220592495 /nfs/dbraw/zinc/59/24/95/220592495.db2.gz XVXQIGAWLLAFQJ-UHFFFAOYSA-N 0 0 398.469 3.575 50 5 GHBARN O=C(COc1ccc(Cl)cc1Cl)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003092380 220602682 /nfs/dbraw/zinc/60/26/82/220602682.db2.gz DGUOMDRUJLSQRF-UHFFFAOYSA-N 0 0 387.131 3.794 50 5 GHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCc1ccccc1-2 ZINC000003176341 220609105 /nfs/dbraw/zinc/60/91/05/220609105.db2.gz RQFFZTPGVSDYSR-UHFFFAOYSA-N 0 0 381.413 3.834 50 5 GHBARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2c2ccccc21 ZINC000004011653 220670334 /nfs/dbraw/zinc/67/03/34/220670334.db2.gz KMZITOSZKDEXQG-LIKPIUCQSA-N 0 0 396.402 3.991 50 5 GHBARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004205863 220693604 /nfs/dbraw/zinc/69/36/04/220693604.db2.gz KDIRRJVVIGNBOM-NQIIRXRSSA-N 0 0 379.416 3.863 50 5 GHBARN Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)n[nH]1 ZINC000005028285 220814063 /nfs/dbraw/zinc/81/40/63/220814063.db2.gz DVMPSAOLVIMIJD-UHFFFAOYSA-N 0 0 388.456 3.798 50 5 GHBARN COc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1 ZINC000004998283 220807852 /nfs/dbraw/zinc/80/78/52/220807852.db2.gz OQZVCSMTRUHRKD-UHFFFAOYSA-N 0 0 378.388 3.863 50 5 GHBARN CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006046338 220914487 /nfs/dbraw/zinc/91/44/87/220914487.db2.gz SCUIUVRCHLQDCQ-KRWDZBQOSA-N 0 0 398.444 3.583 50 5 GHBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1COc2ccccc2O1 ZINC000006055196 220915887 /nfs/dbraw/zinc/91/58/87/220915887.db2.gz UPYOKXQLAORIMN-FQEVSTJZSA-N 0 0 388.375 3.829 50 5 GHBARN Cc1cc(NC(=O)CSc2nncn2-c2ccccc2)c([N+](=O)[O-])cc1C ZINC000006551979 220941347 /nfs/dbraw/zinc/94/13/47/220941347.db2.gz VUQIEXUSXAJGRL-UHFFFAOYSA-N 0 0 383.433 3.523 50 5 GHBARN C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000007778130 221011815 /nfs/dbraw/zinc/01/18/15/221011815.db2.gz PJCIIXHHHPTWQP-ZDUSSCGKSA-N 0 0 382.372 3.765 50 5 GHBARN C[C@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007526239 221000928 /nfs/dbraw/zinc/00/09/28/221000928.db2.gz SFIHPIFGKVQJAY-ONGXEEELSA-N 0 0 376.404 3.983 50 5 GHBARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1C ZINC000008209223 221030552 /nfs/dbraw/zinc/03/05/52/221030552.db2.gz GZAURXUNCJFMGE-UHFFFAOYSA-N 0 0 384.417 3.992 50 5 GHBARN C[C@@H](Sc1n[nH]c(-c2ccccc2F)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008775516 221058917 /nfs/dbraw/zinc/05/89/17/221058917.db2.gz PPNDIITVSONKQC-SNVBAGLBSA-N 0 0 387.396 3.638 50 5 GHBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1F ZINC000008916426 221063440 /nfs/dbraw/zinc/06/34/40/221063440.db2.gz WZOUTGYSRNCLGV-UHFFFAOYSA-N 0 0 384.363 3.935 50 5 GHBARN COc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000008725993 221052220 /nfs/dbraw/zinc/05/22/20/221052220.db2.gz OSHJDFVNSYBQMT-UHFFFAOYSA-N 0 0 383.448 3.770 50 5 GHBARN C[C@H]1C[C@H](C)CN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])C1 ZINC000009328374 221077767 /nfs/dbraw/zinc/07/77/67/221077767.db2.gz JHTGQZZYSZYQNJ-QWRGUYRKSA-N 0 0 376.848 3.846 50 5 GHBARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000009983403 221095401 /nfs/dbraw/zinc/09/54/01/221095401.db2.gz LOSDDYLQVBQWRM-BJMVGYQFSA-N 0 0 394.427 3.738 50 5 GHBARN CN1c2ccccc2C(C)(C)/C1=C/C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012512763 221200558 /nfs/dbraw/zinc/20/05/58/221200558.db2.gz ZNXVUAPDEBYIQD-ATVHPVEESA-N 0 0 381.457 3.964 50 5 aggregator GHBARN CNc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000012613976 221214786 /nfs/dbraw/zinc/21/47/86/221214786.db2.gz OSRZWZBOWGFDCS-UHFFFAOYSA-N 0 0 382.445 3.998 50 5 GHBARN O=C(CSc1nnc(CCC2CCCC2)[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000014077208 221298538 /nfs/dbraw/zinc/29/85/38/221298538.db2.gz OKXAACWWZDQCJK-UHFFFAOYSA-N 0 0 393.444 3.706 50 5 GHBARN CCOc1cc(C(=O)NCCc2cccc3cccnc32)c([N+](=O)[O-])cc1OC ZINC000014202380 221304852 /nfs/dbraw/zinc/30/48/52/221304852.db2.gz AOIJDJREFJNQEB-UHFFFAOYSA-N 0 0 395.415 3.523 50 5 GHBARN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-n2cnnn2)cc1 ZINC000016680480 221368330 /nfs/dbraw/zinc/36/83/30/221368330.db2.gz DRVSMXQPXOQRAP-UHFFFAOYSA-N 0 0 381.395 3.721 50 5 GHBARN CCOc1ccc(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000018168948 221388769 /nfs/dbraw/zinc/38/87/69/221388769.db2.gz KAHMSWOQZLOBJQ-GASCZTMLSA-N 0 0 384.432 3.838 50 5 GHBARN CN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000023562626 221601335 /nfs/dbraw/zinc/60/13/35/221601335.db2.gz AJKKRQZDOMBGKB-UHFFFAOYSA-N 0 0 379.210 3.508 50 5 GHBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000025211545 221626557 /nfs/dbraw/zinc/62/65/57/221626557.db2.gz GYRXCTSGWSWNCP-MRXNPFEDSA-N 0 0 396.443 3.934 50 5 GHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000025833853 221632935 /nfs/dbraw/zinc/63/29/35/221632935.db2.gz XUISNSDQTMFWFL-HNNXBMFYSA-N 0 0 381.432 3.945 50 5 GHBARN COc1ccc(S(=O)(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1OC ZINC000071775256 222198519 /nfs/dbraw/zinc/19/85/19/222198519.db2.gz ZPAFGCXVFYWHDH-UHFFFAOYSA-N 0 0 396.420 3.796 50 5 GHBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3-c3ccc[nH]c3=O)c2ccc1O ZINC000079491896 222307232 /nfs/dbraw/zinc/30/72/32/222307232.db2.gz LVXISXUHXGMMIM-UHFFFAOYSA-N 0 0 390.399 3.987 50 5 GHBARN Cc1ccccc1-n1nnnc1C1(Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000023504926 525036803 /nfs/dbraw/zinc/03/68/03/525036803.db2.gz BWYYDKSEWQJFTF-UHFFFAOYSA-N 0 0 394.435 3.856 50 5 GHBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004305025 570218143 /nfs/dbraw/zinc/21/81/43/570218143.db2.gz SRQNPSISFSAWKP-IBGZPJMESA-N 0 0 377.400 3.722 50 5 GHBARN Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-] ZINC000048355174 570243538 /nfs/dbraw/zinc/24/35/38/570243538.db2.gz ZEFILUYLEFHWBS-UHFFFAOYSA-N 0 0 381.432 3.962 50 5 GHBARN CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000680946 570290313 /nfs/dbraw/zinc/29/03/13/570290313.db2.gz PYWXUCTXPKCRON-UHFFFAOYSA-N 0 0 379.825 3.774 50 5 GHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000004844532 570316166 /nfs/dbraw/zinc/31/61/66/570316166.db2.gz OBRSFFBHUYUFMH-NSHDSACASA-N 0 0 399.266 3.705 50 5 GHBARN COc1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000004846338 570340843 /nfs/dbraw/zinc/34/08/43/570340843.db2.gz IUADDLBKRMSUQE-LBPRGKRZSA-N 0 0 382.372 3.821 50 5 GHBARN COc1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000004846656 570345135 /nfs/dbraw/zinc/34/51/35/570345135.db2.gz HUFIDXAJKMIYID-UHFFFAOYSA-N 0 0 392.452 3.938 50 5 GHBARN C[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000033456270 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