smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 9689760 OSNNBTGUSQUQTE-UHFFFAOYSA-N 498.746 4.535 5 40 JJBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 12285163 SLRHQKLYGUZEEI-GORDUTHDSA-N 474.080 4.919 5 40 JJBB Cc1cc(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32111933 FBSQORGBUWWKLJ-UHFFFAOYSA-N 490.428 4.827 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 223481761 FTFMUZJHOKTHTA-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 224578255 WNBQHOSZQZPBHW-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 408667190 VFEJILOKCBEXLF-AGYDLCDTSA-N 495.318 4.701 5 40 JJBB Cc1c(F)cccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408739116 XQAKIDNOYSACCH-QFIPXVFZSA-N 451.454 4.519 5 40 JJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409246990 FODWTPXNHYWKHM-UNOMPAQXSA-N 494.891 4.602 5 40 JJBB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3293640 QSHGRCJPZSNNLO-ZDUSSCGKSA-N 466.548 4.633 5 40 JJBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cccc1[N+](=O)[O-] 8810145 LIGUXMZVVATEKL-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284448 AUWILWIKVCPLAV-LBPRGKRZSA-N 496.829 4.945 5 40 JJBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)n1Cc1cccs1 12538009 VNQOMCKZRUNAAK-UHFFFAOYSA-N 467.547 4.763 5 40 JJBB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1cccs1 23034390 VPZQNYJBJLNAID-AWEZNQCLSA-N 461.927 4.960 5 40 JJBB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34696698 VLZXDRVVFNYFQO-UHFFFAOYSA-N 450.520 4.972 5 40 JJBB COc1cc(C(=O)Nc2cccc(CSc3ccccn3)c2)c([N+](=O)[O-])c(OC)c1OC 58200921 CHKYAIBFDFQVCG-UHFFFAOYSA-N 455.492 4.560 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1 106710238 VQJDEUKWBBPFHF-CHHVJCJISA-N 452.275 4.577 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 138983436 BCHQCENXQCMTEC-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 8836786 WUHNXZBGWWMPSU-UHFFFAOYSA-N 492.377 4.781 5 40 JJBB COc1c(Br)cc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12645603 JXXSYCNGVJZENO-UHFFFAOYSA-N 455.283 4.704 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 13805018 XFPFRSWGFYOUEZ-FSSWDIPSSA-N 463.877 4.608 5 40 JJBB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14269556 QSUWQUHLACCXQH-HNNXBMFYSA-N 456.568 4.931 5 40 JJBB CCCCc1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 14413687 TZVKWNGTDBIFCC-UHFFFAOYSA-N 467.547 4.771 5 40 JJBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 20034683 UHTNTODPOJOHSP-UHFFFAOYSA-N 453.520 4.945 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 20807965 KZSYNGZIIGKDDN-UHFFFAOYSA-N 486.532 4.826 5 40 JJBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970314 IAADNGBGOUXMII-QHCPKHFHSA-N 455.474 4.881 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1occc1COc1ccccc1 22240958 XUQRNJYNHNETMS-UHFFFAOYSA-N 478.482 4.852 5 40 JJBB C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 222913221 ZMHYVGCZYBYFDP-IBGZPJMESA-N 493.585 4.546 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225644061 AUUAEIMUVHSSQX-HTAPYJJXSA-N 475.586 4.689 5 40 JJBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 409202116 ZTPMHUOMUMYRSV-IZHYLOQSSA-N 490.497 4.987 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)cnc32)cc1 2321217 ZVHJFFLIOADHMI-GOSISDBHSA-N 461.525 4.961 5 40 JJBB C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 32927117 IDNPMXPYIDPHBK-CYBMUJFWSA-N 494.358 4.692 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@H]1CCC 102779638 AEFDHDCVJCRGQK-YIXXDRMTSA-N 492.576 4.812 5 40 JJBB Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 408647663 UBRBYYLUFDGHOT-UHFFFAOYSA-N 491.500 4.905 5 40 JJBB Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409194131 OETUBIVKYMJDNW-CYYHYYEZSA-N 454.438 4.867 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)n1 3279377 QAQSUPMZSRIACY-AWEZNQCLSA-N 469.544 4.646 5 40 JJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 8396587 BLNMKTBVCVIOJV-WQRHYEAKSA-N 476.357 4.548 5 40 JJBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 8682555 PAKIZDPVBPVUDX-UHFFFAOYSA-N 459.846 4.873 5 40 JJBB aggregator O=[N+]([O-])c1ccc2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)[nH]c2c1 12599953 JLESWRUSTHYCQL-UHFFFAOYSA-N 463.488 4.657 5 40 JJBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cc(-c2ccccc2)nn1-c1ccccc1 13041744 AVABCQUISMLZOD-UHFFFAOYSA-N 476.876 4.896 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 13140327 MCIRLFAXLUNNCG-DXCKQFNASA-N 463.581 4.609 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nnc(-c2ccc(Cl)cc2)o1 13163265 PAFVHYPSCGEUCB-UHFFFAOYSA-N 480.955 4.624 5 40 JJBB O=[N+]([O-])c1ccccc1N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2 25501501 USFRXICPPYBHSJ-UHFFFAOYSA-N 474.542 4.891 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)CC1 97165842 KJALVJGFIXXOOT-UHFFFAOYSA-N 473.920 4.821 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2 100890063 PBIORJXJEQIECQ-NSFRLNINSA-N 464.485 4.894 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 106709592 FDVGDGIQYWYLMC-HMAPJEAMSA-N 489.509 4.849 5 40 JJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225490918 RNOLRRURXLXHGC-SANMLTNESA-N 491.563 4.833 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 877909 IPFIRDHVLBPMGW-KRWDZBQOSA-N 474.546 4.724 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCCNC(=O)OCc3ccccc3)ccc12 2094228 UHQXNBAYNZXQLZ-UHFFFAOYSA-N 475.497 4.875 5 40 JJBB biogenic O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2195368 RYAHVHBGHKSZTJ-IWVFXYMLSA-N 491.503 4.968 5 40 JJBB COCCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 8385922 QDBKXKVUJPLZOE-UHFFFAOYSA-N 484.306 4.887 5 40 JJBB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 12342546 VGTAHNULZMSDLV-UHFFFAOYSA-N 477.951 4.704 5 40 JJBB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13112528 BRWFXWNSLXRKHN-UHFFFAOYSA-N 454.792 4.764 5 40 JJBB Cc1ccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1C 19927336 NDUOPAJSZAGUBO-UHFFFAOYSA-N 478.324 4.911 5 40 JJBB COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc(C(C)C)c2O)cc1 26787015 ACLQVLYUHQOMTD-UHFFFAOYSA-N 484.530 4.826 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 101111002 QFBRVYRJRGJSGC-FKBYEOEOSA-N 498.322 4.948 5 40 JJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409244089 XMZMPTZAYBWDOP-XDHOZWIPSA-N 494.891 4.602 5 40 JJBB COc1cccc(-c2nn(Cn3nc([N+](=O)[O-])cc3C)c(-c3cccc(OC)c3)c2Cl)c1 22535815 AQVHUFQHYWDICS-UHFFFAOYSA-N 453.886 4.807 5 40 JJBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1cccc(Cl)c1 62587496 LQBJSMSOHRDWEG-UHFFFAOYSA-N 473.945 4.689 5 40 JJBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(Cl)c1 408557031 KMGITWPNLGFXTG-UHFFFAOYSA-N 475.910 4.700 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 408571148 NWLHCAKHFIWDBA-RHLLLVCUSA-N 481.911 4.626 5 40 JJBB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409128220 RXVVZHYDRCSTFX-WOJGMQOQSA-N 493.335 4.619 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409191917 QHLBOUDYSIQRRQ-PJBLTWOLSA-N 474.425 4.550 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2413045 CFJFQLZSOCSOQU-UHFFFAOYSA-N 492.377 4.781 5 40 JJBB CC(=O)c1ccc(Sc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)c([N+](=O)[O-])c1 3363833 VMQFPEUQWJVREA-UHFFFAOYSA-N 485.525 4.663 5 40 JJBB O=[N+]([O-])c1cnn(Cc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)c1 13643996 XBWJJKKTMGYDEK-UHFFFAOYSA-N 478.444 4.645 5 40 JJBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14291356 VDGDCPFGULXQSY-UHFFFAOYSA-N 476.474 4.590 5 40 JJBB CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc(C3CC3)nc21 23080747 AKYLXZXUDHPKQA-UHFFFAOYSA-N 491.426 4.612 5 40 JJBB COCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(Cl)cc1 34910142 NRVQCLRCNRBUHR-UHFFFAOYSA-N 476.942 4.702 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 408620869 MPODCOVKUFDBCQ-UHFFFAOYSA-N 470.263 4.558 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 408884462 YAUREIYWIAZEEP-JAIQZWGSSA-N 481.461 4.977 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c1 409324360 SFZHGOOUJZFZFR-XQRVVYSFSA-N 464.312 4.686 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 786319 JIQHSBVUDXWWTA-UHFFFAOYSA-N 489.557 4.814 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O 1417287 OKUSSJAFEBUVBR-CXUHLZMHSA-N 479.308 4.698 5 40 JJBB Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 2324455 UYSBKEVWWFHMKF-SFHVURJKSA-N 482.246 4.510 5 40 JJBB COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2763694 PLOGHLZMAIEUMD-UHFFFAOYSA-N 456.476 4.688 5 40 JJBB Cc1cccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc3ccccc3c2=O)c1C 3249312 TVXXIKJGJKGOMT-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB O=C1N(c2ccccc2)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 8814513 JESHGLGVYSEIQL-XMMPIXPASA-N 496.523 4.696 5 40 JJBB CSc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1[N+](=O)[O-] 10970744 DMEAXAKQTOLFOS-UHFFFAOYSA-N 456.549 4.529 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc(C)c2C)c1C 13424270 VVRIJSAHBWLVMM-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 19929294 RXRKLPUFDUCQQD-UHFFFAOYSA-N 469.306 4.903 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 21005656 SKMVXDQRUFTVMJ-DEOSSOPVSA-N 470.485 4.942 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408906639 CPYTVWXJTYHPNI-LZWSPWQCSA-N 457.895 4.701 5 40 JJBB COC(=O)c1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408974705 CCTBKLDKDXSJHO-UHFFFAOYSA-N 459.465 4.918 5 40 JJBB CC(C)c1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409171349 ZNPBRFCFOXYHFE-NRFANRHFSA-N 496.593 4.694 5 40 JJBB Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2731386 BUWLCIJUZINXEV-LBPRGKRZSA-N 476.925 4.650 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3ccccc3c2=O)c(C)c1 10211317 JVEWGAMSHPZTKB-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 40151674 INJVGYBTIWPQAQ-NRFANRHFSA-N 491.500 4.682 5 40 JJBB O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)sc2nc3ccccc3n12 138560025 BBFGZKONKNMTMG-WSVATBPTSA-N 458.282 4.932 5 40 JJBB O=C(Nc1ccccc1OC(F)(F)F)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 215714534 ZVGIZGZOCUEZAK-RGEXLXHISA-N 471.391 4.903 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224157957 MQPDTFHDABXIDR-VWLOTQADSA-N 493.991 4.957 5 40 JJBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1 2195581 QJSYLGOARZGJTR-FQEVSTJZSA-N 453.546 4.805 5 40 JJBB CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2221629 CHPZOVSESYHBLL-KRWDZBQOSA-N 473.964 4.738 5 40 JJBB O=C(N[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 9119254 LTDQKEUVUGMOTB-NRFANRHFSA-N 472.530 4.529 5 40 JJBB C[C@H]1CCc2c(sc3nc([C@H](C)SCc4cc([N+](=O)[O-])cc5c4OCOC5)[nH]c(=O)c23)C1 9591709 KQHYZVWLHSYAAG-RYUDHWBXSA-N 473.576 4.879 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 13148605 ITCPWFNWHQPZKX-UHFFFAOYSA-N 461.430 4.516 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14411300 XFAPLUAFNWQXSZ-HKOYGPOVSA-N 477.542 4.559 5 40 JJBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)CC(C)C)ccc1[N+](=O)[O-] 22257369 DPCJKESTMYGRFW-UHFFFAOYSA-N 458.902 4.670 5 40 JJBB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 32823966 KLUQJTBOQCZSLY-IBGZPJMESA-N 483.528 4.759 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc2c(Cl)cccc12 34859949 VNUWOFCOMZGFOR-UHFFFAOYSA-N 489.384 4.892 5 40 JJBB C[C@@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)C[C@H]2C=C[C@H]1C2 108588372 VPQBPQZRXJWCOQ-ZSCHSRKISA-N 475.530 4.906 5 40 JJBB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408632105 WHEKHFYEXSFIJA-JAIQZWGSSA-N 450.476 4.815 5 40 JJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 409167380 IPIGZFKKBHWKCA-MRXNPFEDSA-N 469.567 4.948 5 40 JJBB C[C@H](NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)OCO2 8760838 DIYYKCNKECQKIR-HNNXBMFYSA-N 456.527 4.734 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289011 VZKNFMORHXLKBU-GOTSBHOMSA-N 455.474 4.576 5 40 JJBB CCOc1c(Br)cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC 16688091 FPUMOWVOIOANFC-UHFFFAOYSA-N 458.740 4.620 5 40 JJBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1cccc(Cl)c1 39756237 QAJUVKHRYXGHOS-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102733486 BNRPMTUMQDZPAK-HKBOAZHASA-N 484.295 4.953 5 40 JJBB O=C(O)/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)Sc1nnc(-c2ccc(Cl)cc2)o1 408634086 OTTRDVFPZRUAQH-MLPAPPSSSA-N 498.698 4.984 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409212509 MUTLULFSNFFPFE-LBFZPMSMSA-N 464.883 4.886 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2256645 KKDSESHPBMKPKG-UHFFFAOYSA-N 461.525 4.957 5 40 JJBB O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474798 KKKBSORINMXCHR-UHFFFAOYSA-N 478.509 4.658 5 40 JJBB O=C(CCCCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 8444382 FXUIUVOCIBZRSQ-UHFFFAOYSA-N 455.254 4.947 5 40 JJBB Cn1c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc2c1=O 8937434 FBNCTOLGZOAKFL-HXUWFJFHSA-N 480.933 4.967 5 40 JJBB COc1ccc(S(=O)(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] 9867487 ALXFNRMYNQQRPU-UHFFFAOYSA-N 455.517 4.605 5 40 JJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)o2)c([N+](=O)[O-])c1 9234405 MSZFHZLOGIMZOY-CIAFOILYSA-N 493.497 4.847 5 40 JJBB Cc1cccc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1[N+](=O)[O-] 13056544 MLCVTCXKFPJGDQ-UHFFFAOYSA-N 456.458 4.551 5 40 JJBB COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 14273034 YNIZXXSQLWUKLP-UHFFFAOYSA-N 455.854 4.770 5 40 JJBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820569 GHLHCNTYFJXKOP-BJKOFHAPSA-N 484.512 4.568 5 40 JJBB COC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 205774018 ZVGQCOYMPXXYBK-LZYBPNLTSA-N 482.392 4.615 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224246919 MKDDJNGTCZGMIL-RUZDIDTESA-N 493.991 4.957 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225529130 VPOBLCZBPFDXRQ-XXBNENTESA-N 471.623 4.859 5 40 JJBB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408652949 PHBBOYUAYBNNQN-ZJSXRUAMSA-N 472.497 4.819 5 40 JJBB O=C1OC(c2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839321 QQFIYONWTDFOPO-CPNJWEJPSA-N 493.269 4.921 5 40 JJBB COc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 1640493560 NGJRJPSWZQBKHN-FQEVSTJZSA-N 459.502 4.690 5 40 JJBB O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1427496 IWVAKMLHBNGTJO-BOPFTXTBSA-N 486.221 4.804 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1C[C@@H]1CCCO1 2252660 PIXAOHDDKKHQGG-AWEZNQCLSA-N 466.328 4.769 5 40 JJBB O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2353157 KSBSXUIUFRHGGO-UHFFFAOYSA-N 451.895 4.866 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 224026356 YJBXQHFWLBWZNV-BJKOFHAPSA-N 485.525 4.686 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225529112 VPOBLCZBPFDXRQ-WMZHIEFXSA-N 471.623 4.859 5 40 JJBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 409165605 AFPRUTPHZQRPGK-MOSHPQCFSA-N 494.554 4.782 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 3142830 GHWOUYJFGZAZHO-UHFFFAOYSA-N 493.560 4.939 5 40 JJBB biogenic COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 10187677 HTPGWUIHKJSJIF-MDWZMJQESA-N 476.514 4.863 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 35808543 LANUYUGYIILBSZ-NFHUAXAMSA-N 485.418 4.582 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409357146 JCILFRIVSGZULD-RGVLZGJSSA-N 479.426 4.682 5 40 JJBB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3[N+](=O)[O-])c(Br)c12 3268310 SJAKKJLAFOVIRT-UHFFFAOYSA-N 476.235 4.620 5 40 JJBB O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 9262796 STCWGDMMKPUQAS-WOJGMQOQSA-N 468.263 4.710 5 40 JJBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32126976 MIFSNYDKQSISHP-UHFFFAOYSA-N 450.476 4.553 5 40 JJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223365583 CCZAYBNQSWAGHG-XMMPIXPASA-N 479.964 4.567 5 40 JJBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(Br)cc2)cs1 409181629 DJJNACAZGSRZCQ-UHFFFAOYSA-N 451.327 4.607 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409231583 KBQOPBQLGDIWKM-XDHOZWIPSA-N 482.905 4.714 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)nc2N1 940810 AAUURVBRHHBKGE-NRFANRHFSA-N 487.907 4.829 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 4786805 TYCRYVUSDDLZGB-HSZRJFAPSA-N 455.474 4.881 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 6194289 AKPYRIXZGIKDQU-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)[C@H]1C 9111453 QXZNAVZGJJGFMU-GOSISDBHSA-N 484.512 4.552 5 40 JJBB Cc1ccc(-n2c(C)nnc2SC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 12632655 XRICSNPQENPEMD-INIZCTEOSA-N 451.552 4.961 5 40 JJBB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Br)c([N+](=O)[O-])c1 12795484 ZVNWMHFAFXBFPI-UHFFFAOYSA-N 472.217 4.977 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1Cl 18088529 WHVBULNDXWUSGW-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851681 KMUSJELYDWZHEY-KWNHSTDBSA-N 489.528 4.553 5 40 JJBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225729953 YBBDCEBQWMVFKP-AREMUKBSSA-N 473.573 4.550 5 40 JJBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])c3ccccc3n2)cc1 408667041 IWJWGHWCBWJFIF-UHFFFAOYSA-N 487.468 4.623 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2C)cc1[N+](=O)[O-] 409157630 RIMBRONJBXMARS-ZDUSSCGKSA-N 461.931 4.556 5 40 JJBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1671049 YAUTUSUNZYCTGX-UHFFFAOYSA-N 470.004 4.628 5 40 JJBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 3770759 SRWPHWGFIRUEIF-UHFFFAOYSA-N 478.486 4.547 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878525 UWLQQNDIWIQCCE-ZDUSSCGKSA-N 460.947 4.591 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@H](C(F)(F)F)C1 9127071 DMZAMEGPYVDFER-LBPRGKRZSA-N 463.865 4.828 5 40 JJBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 32115572 OZMPTTNKBNFJRZ-UHFFFAOYSA-N 464.931 4.512 5 40 JJBB COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 408565694 CTXIAFXNGBUKGK-SFHVURJKSA-N 463.357 4.765 5 40 JJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408567263 QSEARBKWXWAUDS-DEEGFUGBSA-N 499.567 4.637 5 40 JJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc12 3200807 YTYSVGDGGATVIX-UHFFFAOYSA-N 498.542 4.575 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 8398899 XATOSEUUPCDBDS-LIKPIUCQSA-N 475.298 4.754 5 40 JJBB C[C@@H]1C[C@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13590355 MJCNBFNMWQPNBC-MWTRTKDXSA-N 460.446 4.646 5 40 JJBB COc1ccccc1C(=O)NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F 15276997 DRJPNLQNMQJUHG-UHFFFAOYSA-N 494.373 4.876 5 40 JJBB Cc1ccc(-n2nc(C)c(S(=O)(=O)c3ccccc3)c2OC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 17026040 BMLNWSAJMOVGCK-UHFFFAOYSA-N 491.525 4.758 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F 106739271 JUYBRQQXNUCJIH-YVLHZVERSA-N 450.419 4.831 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 223560870 PWFPZGWQJNPVAA-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 408568080 HOSVJIWZIZWAIN-QGZVFWFLSA-N 467.320 4.596 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 408681686 IFERRXYAKOXSIQ-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2300021 ZDFNJPUUIMIIHY-UHFFFAOYSA-N 492.377 4.645 5 40 JJBB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10220622 OSXZJLKDYBBKNY-UHFFFAOYSA-N 486.575 4.534 5 40 JJBB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 16042340 JGHSQNJBZQKNPG-JOCHJYFZSA-N 459.498 4.988 5 40 JJBB biogenic Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 22760497 BGGGCJXSLSVXEE-UHFFFAOYSA-N 468.391 4.932 5 40 JJBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409189914 NMVVKEVOVVGQID-UNOMPAQXSA-N 478.844 4.821 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409353277 ZYZLJGBUBFHKKT-VCHYOVAHSA-N 459.436 4.750 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 797564 RTJKTIGHDIHHAC-CQSZACIVSA-N 474.974 4.899 5 40 JJBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2222048 RVNVUIAUYIISRF-MRXNPFEDSA-N 455.518 4.821 5 40 JJBB O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 2682665 LAQSXJDBUJQZHU-AWEZNQCLSA-N 467.534 4.896 5 40 JJBB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 12623479 NWKUDXCGJBYMFB-UHFFFAOYSA-N 458.829 4.762 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])CC2 12998061 XSQFXIGBEXBVEF-SANMLTNESA-N 461.518 4.507 5 40 JJBB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n3c2c1 15224286 STPGKRKYFCMNOD-GRSHGNNSSA-N 451.891 4.895 5 40 JJBB COc1cc2[nH]c(/C(Cl)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(=O)c2cc1OC 16385250 XBTBMYLOTVLAQD-SXGWCWSVSA-N 453.838 4.845 5 40 JJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O 16476477 UVTOEXNTBVOKQM-HXUWFJFHSA-N 456.248 4.844 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c([nH]c4ccccc43)c2=O)cc1 17052096 HJPRVQMPBJFGAY-UHFFFAOYSA-N 485.525 4.814 5 40 JJBB O=[N+]([O-])c1cccc(-c2csc(NNC3=NC/C(=C\c4ccc5c(c4)OCO5)S3)n2)c1 17221856 YBYARWBVEFMVNB-GIDUJCDVSA-N 453.505 4.507 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224026021 LLSOZVXTTZDPRZ-DNQXCXABSA-N 485.525 4.686 5 40 JJBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1O[C@H](C)CC 225770833 KVAVHAYFQXCBJN-QGZVFWFLSA-N 470.522 4.636 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408686831 SHWHBSIBXZATIV-YXKFXFPPSA-N 488.327 4.656 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 408728647 QPXNMHLVNCCPDO-FPMFRTRJSA-N 458.901 4.993 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 409163396 QXNLUQMOGHUPSE-UDWIEESQSA-N 479.470 4.538 5 40 JJBB CC(C)COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 8831777 IRQVNXYCWVFEIK-UHFFFAOYSA-N 466.582 4.582 5 40 JJBB O=C(OCc1nc2ccccc2c2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9353468 KQTQTZXCXBBHFD-UHFFFAOYSA-N 496.535 4.810 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc3ccccc3c2=O)c(C)c1 10211469 VGHASNXAANWWIH-UHFFFAOYSA-N 478.505 4.781 5 40 JJBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205697723 DFQLPLJVQZNHKO-YBFXNURJSA-N 451.416 5.000 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225316036 QEIQSSIFWGGMKS-CABCVRRESA-N 466.365 4.776 5 40 JJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 408643360 AKTAPHQPCZCNQP-UHFFFAOYSA-N 457.442 4.614 5 40 JJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14275248 FAIBPNJWMHDKMJ-UHFFFAOYSA-N 491.279 4.652 5 40 JJBB Cc1ccc(C(=O)C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408684833 OFMATHVFAVTHLS-HSZRJFAPSA-N 451.500 4.510 5 40 JJBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 408750678 QEYUMPBFUORZEN-WZBLMQSHSA-N 481.555 4.958 5 40 JJBB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 1884573 LOESIGZUODTJDJ-FQEVSTJZSA-N 456.882 4.715 5 40 JJBB Nc1c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C(=O)c1ccccc1Cl 3183268 FFLUXYUCDHTEMG-UHFFFAOYSA-N 466.906 4.623 5 40 JJBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 9190248 OTFWRYCXEZPQHG-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12634067 BPNYNTZGXBDUPV-UHFFFAOYSA-N 467.835 4.639 5 40 JJBB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2094622 XHGOLVBCJCMCNG-OSPHWJPCSA-N 493.581 4.862 5 40 JJBB biogenic O=C(CSc1nc2ccccc2o1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9443215 OODQQNHXTAVDJR-UHFFFAOYSA-N 487.129 4.992 5 40 JJBB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 13842270 AWBYUKPTGRGEFJ-UHFFFAOYSA-N 475.958 4.732 5 40 JJBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223808015 GIQUEUMQKHOHAR-LJQANCHMSA-N 469.607 4.613 5 40 JJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2CC)cc1 409356193 FWKHEMDXEFVKGN-INIZCTEOSA-N 469.567 4.948 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)n2c(nc3ccccc32)N1 1428254 YQTRPDHGOWUUNN-HSZRJFAPSA-N 469.457 4.601 5 40 JJBB O=C(Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1)c1ccc([N+](=O)[O-])cc1 2029933 XDIOVGJGEQGVIB-UHFFFAOYSA-N 463.431 4.617 5 40 JJBB CC(C)COc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 8831132 GSMCZSGOEJXAHG-UHFFFAOYSA-N 456.549 4.880 5 40 JJBB C[C@@H](OC(=O)/C=C/c1cc(Br)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12791470 CCIWLNANSJOHNL-VCFDLTMXSA-N 462.231 4.864 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 13388539 MTWBHGDDZDKOEO-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cccs2)ccc1F 17011125 WEJHWEIPFZLLFL-LJQANCHMSA-N 482.942 4.702 5 40 JJBB O=C(c1ccc(Br)cc1)[C@H]1C(=O)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 101064385 BKAHTEOQRMKSPK-PMACEKPBSA-N 494.301 4.654 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224026125 LLSOZVXTTZDPRZ-BJKOFHAPSA-N 485.525 4.686 5 40 JJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-] 408562559 AZYXNWPNRDDDGY-UHFFFAOYSA-N 479.436 4.975 5 40 JJBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2O)C3=O)c1 408995082 IPHSDBGVXBPURH-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409363594 USLBQHWJHFRJBN-UHFFFAOYSA-N 461.544 4.510 5 40 JJBB CC1(C)C[C@H](C(=O)CCC(=O)N2CCCCC2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587538 GBBPCMXJEVGBFF-FCHUYYIVSA-N 466.582 4.942 5 40 JJBB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9987645 NWZAWFLQEKFRNB-JTQLQIEISA-N 452.323 4.816 5 40 JJBB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 13856559 WOHVLCIPQJSVPA-UHFFFAOYSA-N 490.468 4.735 5 40 JJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 14278221 CEEYXMNAUGMRJX-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB C[C@]1(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]2C=C[C@H]1C2 408710464 KCFGKTKMNJBUKI-ZYXJOJAPSA-N 475.530 4.906 5 40 JJBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 408848219 UTRSJZUXJYZRTB-UHFFFAOYSA-N 470.268 4.802 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409211865 OKIDAWLEQGBAHO-LBFZPMSMSA-N 464.883 4.886 5 40 JJBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1CC 409353115 GWHNCUSFVRVWTF-UHFFFAOYSA-N 485.566 4.532 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1C[C@H]1CCCO1 2254119 ROXSZHWVPRCSEV-MRXNPFEDSA-N 466.328 4.769 5 40 JJBB CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccccc1)N(C)C 2626307 CXHNVWCFKNDAOJ-KRWDZBQOSA-N 474.974 4.572 5 40 JJBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 8901214 SDVOKNRRYXDYIV-UHFFFAOYSA-N 485.496 4.766 5 40 JJBB Cc1ccc(NC(=O)[C@@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 12566935 RSRMTQUHTKMFCN-DEOSSOPVSA-N 464.449 4.928 5 40 JJBB CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 12634638 FTCAKFXBOPMYAA-UHFFFAOYSA-N 479.489 4.575 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc2[nH]ncc2c1 24983126 KOYPCFNWCSVBPO-FQEVSTJZSA-N 495.289 4.770 5 40 JJBB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101157391 VGZLNELXZVIVMT-FKBYEOEOSA-N 463.877 4.608 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223512425 DCPUYYXTJLDDLA-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB Cc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408632257 PJSQXTVBWGOQHR-MFOYZWKCSA-N 492.307 4.846 5 40 JJBB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408668287 DKLVCTVWMUUSTJ-UHFFFAOYSA-N 455.348 4.667 5 40 JJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408682511 JKAAPBOFCHAGPM-QFIPXVFZSA-N 471.918 4.855 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408685353 PDXVXXHNDDJVKM-HZPDHXFCSA-N 476.316 4.634 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125326 CTKNWISZQVOLSK-WEVVVXLNSA-N 499.955 4.509 5 40 JJBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12524473 QFXULXCMYJAKAD-UHFFFAOYSA-N 481.530 4.589 5 40 JJBB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 20632599 WNXWNZQLNHZPDI-HNNXBMFYSA-N 465.922 4.891 5 40 JJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)c(C)nc32)c1 2261721 HQBNDBHZHVNBLC-UHFFFAOYSA-N 489.535 4.986 5 40 JJBB Cc1cccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 2720964 XYDMGSUYRDKDKI-UHFFFAOYSA-N 485.525 4.814 5 40 JJBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cc2[N+](=O)[O-])CC1 8587104 DVWGCCMJQUDFHN-UHFFFAOYSA-N 471.517 4.955 5 40 JJBB C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 8691125 ADWIPVJBIDKVKS-SNVBAGLBSA-N 480.359 4.891 5 40 JJBB aggregator O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)CC1 8855370 GMWZBZLAZZOCDS-UHFFFAOYSA-N 481.361 4.860 5 40 JJBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8899795 NERNPBHYMKZKOZ-UHFFFAOYSA-N 489.351 4.570 5 40 JJBB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9428451 HGHXCHLQLNLBRZ-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62383587 JLDYUMIEHCPRRG-UHFFFAOYSA-N 481.984 4.682 5 40 JJBB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 868985 HWHWNDIINUABSG-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3423200 KWUTZZYGMZUSKA-SNVBAGLBSA-N 493.269 4.818 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 2094169 LSVNYLMOSDFCJN-DEOSSOPVSA-N 475.497 4.811 5 40 JJBB biogenic CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6135601 YVWIQMGKFUAWMD-UHFFFAOYSA-N 494.499 4.876 5 40 JJBB COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc2ccccc2c1Br 14270024 VDYNNWWSPBQEID-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB Cc1ccc2nc(COC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cn2c1 16670261 ZYBBQCPXBHUJJD-UHFFFAOYSA-N 462.428 4.530 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 21005714 HFJYRQKRWHYYMJ-DEOSSOPVSA-N 470.485 4.942 5 40 JJBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 22563488 ATGUAYBBICHFKV-PKNBQFBNSA-N 456.911 4.848 5 40 JJBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22714123 YRTNRBROEYHKMF-UHFFFAOYSA-N 477.908 4.880 5 40 JJBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])c(Cl)cc12 89568500 XHKACEMESNMIKP-UHFFFAOYSA-N 492.937 4.876 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 102760890 TXRMFAGOPOCSLU-XPWALMASSA-N 477.904 4.916 5 40 JJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223772771 BTEFPWHNVSHJBB-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 224854518 ZGUFLSJZJMJTLB-UHFFFAOYSA-N 481.530 4.988 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409216610 JVULQXBVJKKTSH-CIAFOILYSA-N 493.497 4.847 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43730816 YVWKYIBSZJVZBR-LQNXUBFPSA-N 467.934 4.685 5 40 JJBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224956577 XKDZMHJEZIUGHZ-IBGZPJMESA-N 499.633 4.703 5 40 JJBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408567617 GZNVXAKASUCSGX-IBGZPJMESA-N 493.383 4.774 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(C(F)(F)F)c2)cc1 409027605 MSLAWSQKPSXGCS-UHFFFAOYSA-N 493.463 4.756 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O)c1cccc([N+](=O)[O-])c1 990367 YSEROVOZYKMFTD-UHFFFAOYSA-N 480.432 4.588 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6194299 RBNGWAQOTKTKEF-UHFFFAOYSA-N 490.501 4.790 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCCc4ccccc4)nc2c31 8878063 STZIBUBGDNLKCX-UHFFFAOYSA-N 477.520 4.582 5 40 JJBB biogenic O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Br 16385731 XANIGKYWYGYOAA-UHFFFAOYSA-N 471.745 4.747 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 32127309 UXIBITMFQWBYLZ-UHFFFAOYSA-N 457.320 4.647 5 40 JJBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224904580 JOQHAYJPQFWKRQ-RUZDIDTESA-N 493.991 4.955 5 40 JJBB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc([N+](=O)[O-])cc1 1510689 JAIXSJABYKYSRI-UHFFFAOYSA-N 451.245 4.575 5 40 JJBB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2o1 8832075 NDGLFSCJRXREOY-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc12 102732563 RKRXFPUFHNLTPZ-SDHOMARFSA-N 465.465 4.799 5 40 JJBB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214998923 LDHSIHPURFYNAM-LICLKQGHSA-N 463.309 4.993 5 40 JJBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 408600070 STNMTPIZHFFJOS-OAHLLOKOSA-N 488.562 4.780 5 40 JJBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 409071758 PUROZQOETHUVAW-YBFXNURJSA-N 478.392 4.527 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(F)c(Cl)c1 409224433 LKIPAFURHDSVNZ-UUASQNMZSA-N 470.265 4.716 5 40 JJBB Cc1nn(C[C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2732676 GPTOORLYOWKIMC-GFCCVEGCSA-N 472.962 4.705 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 3256570 NHEWFQWRHDYNEV-UHFFFAOYSA-N 490.541 4.650 5 40 JJBB Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 9478187 BSSBTSBBSNTPRY-UHFFFAOYSA-N 459.911 4.539 5 40 JJBB CCOc1cc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc(OCC)c1OCC 10010565 HQJWHCBCHKNPJF-UHFFFAOYSA-N 461.496 4.662 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 13133973 KCQWDQZHHNAFCM-UHFFFAOYSA-N 481.983 4.981 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224389723 IYYQXCTVKVAHKW-OAHLLOKOSA-N 466.365 4.634 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408735452 QBUNVSRNVNNTOL-URFUVCHWSA-N 458.901 4.993 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O 408919076 SJFHQIXWCNHKHI-YCIYHOANSA-N 489.325 4.806 5 40 JJBB COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 9096740 ZGTFEUOJZSPTQX-INIZCTEOSA-N 490.516 4.510 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1 9353150 CJNZCBZZPHBHJA-UBFVSLLYSA-N 481.464 4.906 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 13839000 PDNBSQMPNIOSDX-XZOQPEGZSA-N 455.474 4.576 5 40 JJBB CCOc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 16157458 CICBKSRSKNDEKT-FQEVSTJZSA-N 467.503 4.745 5 40 JJBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OC)cc1 408568165 HVALIOAKBYJMMV-IBGZPJMESA-N 493.383 4.856 5 40 JJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 8434997 XZMMGBBZOHTYNH-VCHYOVAHSA-N 476.357 4.548 5 40 JJBB COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl 8835590 PGBQPISNWYONFU-UHFFFAOYSA-N 484.921 4.636 5 40 JJBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2cccnc2)cc1 9130669 VTUDKFXPPCWIHL-UHFFFAOYSA-N 494.508 4.506 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060291 BVVAEYXHSTXRQL-XZOQPEGZSA-N 455.474 4.576 5 40 JJBB COc1c(Br)cc(Cl)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 14130728 UKVXZAMORIEIOU-UHFFFAOYSA-N 468.735 4.874 5 40 JJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 14831574 ABDCQYOERNTYMJ-NTEUORMPSA-N 451.504 4.664 5 40 JJBB COc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792132 FWGKQDAMRQZHJK-KRWDZBQOSA-N 477.520 4.684 5 40 JJBB biogenic CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 8832507 RMQXOHQXXMMFHF-UHFFFAOYSA-N 465.337 4.603 5 40 JJBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)c1 8836733 QODXZEXMXUFOGW-UHFFFAOYSA-N 453.502 4.575 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 12495794 NHKXGJRZWLKBIW-UHFFFAOYSA-N 474.546 4.530 5 40 JJBB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@@H](C)c4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 12922452 SVUWJTFYKAHXNF-KRWDZBQOSA-N 476.558 4.951 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@@H]1COc3ccccc3O1)n2C[C@@H]1COc2ccccc2O1 16525002 VSXVRBNVULAKSU-MSOLQXFVSA-N 491.525 4.717 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 17992901 MNXKREDWCRGYCZ-DSNGMDLFSA-N 481.464 4.906 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223557017 GMUUXAPFRAXYGO-BJKOFHAPSA-N 487.541 4.826 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408682110 IVUPDHHWORSRSH-OALUTQOASA-N 488.327 4.800 5 40 JJBB Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C(C)(C)C)C4)o2)c(C)c1[N+](=O)[O-] 2747101 XFXJSNNQJPLPHB-AWEZNQCLSA-N 499.593 4.613 5 40 JJBB CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 3404310 YSSNSBHNGKXRLC-HXUWFJFHSA-N 458.971 4.826 5 40 JJBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 8690401 RBQBUKRNKHGBTN-UHFFFAOYSA-N 460.874 4.570 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 8926562 XZIZGBKVSGMQOA-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)cc([N+](=O)[O-])c1C 205815853 HIKCNFLCBHALGS-UDWIEESQSA-N 469.519 4.520 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409177102 ARHYCBXBCDFPAE-CAZKKTPXSA-N 493.288 4.637 5 40 JJBB C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 2731038 URTQYBTXYZICLC-LLVKDONJSA-N 479.353 4.742 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1c2ccccc2Cn2c1nc(=O)c1c3c(sc12)CCCC3 3205603 OBZDXLXCIFJOMH-FQEVSTJZSA-N 457.511 4.622 5 40 JJBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2c(C)nc3ccccc3c2C1=O 9191504 CHCUOKZWMXAUEK-UHFFFAOYSA-N 481.464 4.917 5 40 JJBB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NCC1CCCCC1 12625786 DBPHGCSSSDPDHU-CCEZHUSRSA-N 488.544 4.700 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 13540267 RLNBELBECOHQEU-DUOVIKOCSA-N 489.528 4.553 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037238 YIGHDGQXVNRDNI-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16038144 IRCIIMCPKXAREI-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20130918 CLPBGOJNBGQOBQ-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 100840865 LORZOHOGGFVLCX-NOZRDPDXSA-N 462.465 4.531 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408680470 GHOONJYGIIHUAT-VOWSPCBNSA-N 488.327 4.656 5 40 JJBB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n3c2cc1C 409390004 DDMMPHLZJWKSHR-QRVIBDJDSA-N 457.511 4.561 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc12 2148162 JIJZQFGVCDLOKP-IBGZPJMESA-N 473.547 4.507 5 40 JJBB biogenic Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 9307786 TXRMFAGOPOCSLU-ZRBLBEILSA-N 477.904 4.916 5 40 JJBB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 13134990 UZPWSZYZZDSFLM-GFCCVEGCSA-N 478.933 4.873 5 40 JJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225463605 YYGDYYDRTYPXPX-SANMLTNESA-N 491.563 4.833 5 40 JJBB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409131358 XRRFRFMGYQLNHN-VIZOYTHASA-N 483.285 4.602 5 40 JJBB O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 636934717 NKDIYNJPPDMAGM-XMMPIXPASA-N 472.491 4.995 5 40 JJBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 9008908 KMDKBKFJBUMUOR-QUKDMSEQSA-N 456.498 4.600 5 40 JJBB Cc1nc2ccc(Cc3ccc4nc(/C=C/c5ccc([N+](=O)[O-])cc5)oc(=O)c4c3)cc2c(=O)o1 12463264 PNOBLZQHOFFGOK-IZZDOVSWSA-N 467.437 4.667 5 40 JJBB CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 60276877 LBOPRVFEYOMGKB-TZIWHRDSSA-N 481.597 4.712 5 40 JJBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCCCC1 1900464 TVIAZTZYEVPNEV-SQHAQQRYSA-N 486.572 4.874 5 40 JJBB biogenic CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 9597194 MTKVCUUFRGKEKE-MRXNPFEDSA-N 454.792 4.534 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 14291013 ZOVVPGSPFQOXSC-UHFFFAOYSA-N 489.315 4.709 5 40 JJBB CCNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccc([N+](=O)[O-])cc4)nn13)CCCC2 27526515 FZBWSRWHQCLTFG-UHFFFAOYSA-N 475.574 4.911 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225558239 KQNDWEQZPWEGGW-XXBNENTESA-N 471.623 4.859 5 40 JJBB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 409342942 CBMRCQGEYFSLSY-GOSISDBHSA-N 459.959 4.796 5 40 JJBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 8831474 FPSRSPJFMZTSAE-UHFFFAOYSA-N 452.492 4.576 5 40 JJBB Cc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)n2N)cc1 9390385 BLCLZBMAEWZZPD-OAQYLSRUSA-N 474.546 4.656 5 40 JJBB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2)c1 12312236 JFJSZWZKUJYFCH-DEOSSOPVSA-N 475.501 4.740 5 40 JJBB O=C1N[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)S/C1=C\c1ccc([N+](=O)[O-])cc1 14904554 UGBYMRIZRXQTGC-PXKPWODBSA-N 470.510 4.654 5 40 JJBB Cc1ccc(Oc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cn2)cc1C 40122685 IYOBYZMLVAUQCY-UHFFFAOYSA-N 476.518 4.931 5 40 JJBB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)CC1 101375788 IOAFVJOKCOOQCZ-IYBDPMFKSA-N 467.518 4.888 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060435 HDMPPHRSASDTPY-XZOQPEGZSA-N 469.501 4.885 5 40 JJBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 32114905 OBZVXXZKHMOASB-UHFFFAOYSA-N 464.931 4.512 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223587960 SXHQDSBWRYRQIO-QFIPXVFZSA-N 487.622 4.559 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408618300 FYZWBRBYIBACOP-UHFFFAOYSA-N 484.290 4.948 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 408919074 SJFHQIXWCNHKHI-LQDNNDEMSA-N 489.325 4.806 5 40 JJBB Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2751174 ONJNAIYRFSGJRO-QHCPKHFHSA-N 454.442 4.741 5 40 JJBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 8833011 YCWLGTPYCYTHIH-UHFFFAOYSA-N 484.578 4.669 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)ccc12 11867485 ZBPKEKDZDFJPGD-QHCPKHFHSA-N 487.508 4.970 5 40 JJBB biogenic O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Cl)cc1 102760654 VFYBMGMVZNNLCW-PCCBWWKXSA-N 484.295 4.953 5 40 JJBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 197512327 CWWLQLGRAZLWDB-MTJSOVHGSA-N 493.928 4.606 5 40 JJBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(c2ccccc2)CC1 8792187 VSYLORYQTHIQKD-UHFFFAOYSA-N 458.521 4.554 5 40 JJBB biogenic COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4)cnc32)cc1Cl 9273088 DNDGROIPIIFDBG-UHFFFAOYSA-N 453.889 4.935 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060414 SHJFILJUMHSTBW-FCHUYYIVSA-N 455.474 4.576 5 40 JJBB CC(=O)Oc1c([C@H](OC(C)=O)c2ccc3c(c2)OCO3)ccc2c1ccc1c(C)cc(=O)oc12 12444975 YLFUEKYVAOTFKS-XMMPIXPASA-N 460.438 4.561 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223715197 VWAYRGLNIPQXLC-FQRUVTKNSA-N 491.563 4.831 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223814889 GZYBTUHBCASMBZ-KRWDZBQOSA-N 490.025 4.958 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225315973 QEIQSSIFWGGMKS-HUUCEWRRSA-N 466.365 4.776 5 40 JJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Br 408575651 WSTZRTBQUBKPOH-GOSISDBHSA-N 463.357 4.765 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409232570 RHQVUEPTXPHWOZ-CIAFOILYSA-N 493.903 4.929 5 40 JJBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCCCC1 1900462 TVIAZTZYEVPNEV-SHQCIBLASA-N 486.572 4.874 5 40 JJBB biogenic CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 6135596 QMTDYFBCUDDBRO-UHFFFAOYSA-N 480.472 4.568 5 40 JJBB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9043335 YHVCVWMCXHYOQB-GOSISDBHSA-N 481.888 4.916 5 40 JJBB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl 9882431 HCODNTALRCSBDM-UHFFFAOYSA-N 465.940 4.912 5 40 JJBB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13059175 AGZHNRRGIGJIRB-UHFFFAOYSA-N 472.590 4.764 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 13096022 YUIKHEKBJXJNRT-UHFFFAOYSA-N 478.968 4.965 5 40 JJBB COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] 20528416 QKGKLYLUOBAIDK-UHFFFAOYSA-N 461.386 4.537 5 40 JJBB Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c(O)c1C 26787026 FSYLFOAWQJWQMW-UHFFFAOYSA-N 460.895 4.656 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223561108 KVQDCOQSQNRDMC-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409212506 MUTLULFSNFFPFE-DTQASYIRSA-N 464.883 4.886 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 923633 LUWJUKOQNBKPRU-UHFFFAOYSA-N 474.546 4.530 5 40 JJBB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2092665 MXCPFMGIQNDPFW-JOCHJYFZSA-N 461.470 4.565 5 40 JJBB biogenic O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809164 HECRWMLOMCWLQM-UHFFFAOYSA-N 489.294 4.783 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@@H](COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1 4803496 XPYGEPWGGGENFC-OAQYLSRUSA-N 496.432 4.748 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3ccccc3c2=O)cc1 10441919 AQYLQMMDLIKYKU-UHFFFAOYSA-N 460.515 4.642 5 40 JJBB O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 36445136 OTZTYLOQOBQCND-UHFFFAOYSA-N 463.471 4.507 5 40 JJBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O)n[nH]2)c1 408633778 PHAHOYKEPNFKOW-NDENLUEZSA-N 494.485 4.875 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 9722879 ZDNUBTMKRGAUCY-MRXNPFEDSA-N 490.541 4.653 5 40 JJBB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 13120233 FWWJXIDANBQZQF-UHFFFAOYSA-N 453.495 4.974 5 40 JJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222708147 JQIMYYQLHRLSFC-IBGZPJMESA-N 466.365 4.776 5 40 JJBB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 408526889 CSYVILRZCQKRHP-UHFFFAOYSA-N 496.328 4.720 5 40 JJBB O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccccc1 408603132 AVJSONTTWIDWJA-UHFFFAOYSA-N 456.296 4.987 5 40 JJBB O=C(NCc1ccc(Cl)cc1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845321 RBILOWIVKMTCHT-UHFFFAOYSA-N 475.814 4.907 5 40 JJBB CN(C(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(-c2ccc(CO)o2)c1 2350214 ZFIJVQIFKUQECO-UHFFFAOYSA-N 477.498 4.758 5 40 JJBB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 6280180 RYHJSCBWIUSFLJ-UHFFFAOYSA-N 492.536 4.966 5 40 JJBB CCOc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(Cl)c1OCC(=O)N(C)C 8880293 OZOVPVVPOYCKRV-VMPITWQZSA-N 461.927 4.894 5 40 JJBB O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898668 OVNGCZMKRMAIRT-UHFFFAOYSA-N 489.915 4.984 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C)cc1 10367665 DTAVVPNXWJKKGB-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 19075487 VJBWAOHLRXLZCQ-UHFFFAOYSA-N 451.431 4.665 5 40 JJBB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 20796224 XTOZZDQOYQMJNW-HNNXBMFYSA-N 465.922 4.891 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 101201873 PTRLPRDADMWKPV-ZRBLBEILSA-N 493.903 4.698 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103978760 IFNNTLRWUOBOLE-AZOUXBGGSA-N 499.910 4.521 5 40 JJBB CC[C@@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223118380 DRWMWNUKSUZXHG-DHIUTWEWSA-N 487.622 4.594 5 40 JJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14270325 IPKGVBMPLHCHLT-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 57945250 SFILBAFTFXCNEP-QHCPKHFHSA-N 468.916 4.889 5 40 JJBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408566351 FKLRAMNLSKMZJZ-SFHVURJKSA-N 497.346 4.605 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409199291 BGYLOXNUMZJUFF-LICLKQGHSA-N 464.883 4.888 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678492 PBJSZSZIRDKLSR-FQEVSTJZSA-N 484.295 4.748 5 40 JJBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)o1 108973066 QZFISKKUEZEASY-CIAFOILYSA-N 494.481 4.790 5 40 JJBB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1C 408651649 NRMBJCHUGNGUAP-QFIPXVFZSA-N 472.497 4.658 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409364707 YDAIWIDDWJOMRH-RGVLZGJSSA-N 479.426 4.682 5 40 JJBB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 8846218 YYCLPPBIVXIBSY-FQEVSTJZSA-N 492.285 4.917 5 40 JJBB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9426745 ZTCFYDLRHMQFJP-UHFFFAOYSA-N 475.958 4.786 5 40 JJBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223286176 KREDDLKPLHADCJ-IBGZPJMESA-N 484.405 4.688 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223905398 XHPYZYVHBLWBHV-HNNXBMFYSA-N 478.376 4.920 5 40 JJBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409203389 VXBIMFGMAYPTRJ-CAOOACKPSA-N 464.883 4.744 5 40 JJBB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 6860744 WJCMARXADJORHB-UHFFFAOYSA-N 487.541 4.835 5 40 JJBB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1OC 8832060 ZRMCDPDRMVKYIV-UHFFFAOYSA-N 468.535 4.978 5 40 JJBB Cc1cccc(C(=O)NCc2nnc(SCc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 9265122 PQNXVFPXFGBYFT-UHFFFAOYSA-N 459.531 4.706 5 40 JJBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 9504322 UGLVYQDULPRCNX-UHFFFAOYSA-N 472.954 4.774 5 40 JJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc4c(Cl)cccc34)CC2)c([N+](=O)[O-])c1 408574443 QRDFLYIRGUUALN-UHFFFAOYSA-N 467.909 4.541 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408680403 GERCOACNCQBUDN-AUJRIZCKSA-N 488.327 4.656 5 40 JJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)cc1 409000495 TVKKQVALTNOHHJ-UHFFFAOYSA-N 482.404 4.612 5 40 JJBB COc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc([N+](=O)[O-])ccc4[nH]c3=O)=NN2)c(OC)c1 13509762 HZTMNPOXIJMLDR-NRFANRHFSA-N 470.485 4.559 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 14271152 LGTYWHOGMWMUIZ-UHFFFAOYSA-N 458.721 4.536 5 40 JJBB O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39748479 RUCVCCRAEDJPNK-VAWYXSNFSA-N 461.459 4.611 5 40 JJBB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2C(N)=O)C1 2089685 PTRZIEGDHCXEQB-ZDUSSCGKSA-N 474.539 4.765 5 40 JJBB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 9119778 AOOVUEUIEDHJFN-OAQYLSRUSA-N 458.518 4.713 5 40 JJBB CSCC[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 9490888 UVYDSHMEUWXTEK-IBGZPJMESA-N 453.568 4.686 5 40 JJBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O 22714067 FTLZBPWCADRJDW-YRNVUSSQSA-N 477.860 4.709 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851524 DICDTGNVYWHHSF-KWNHSTDBSA-N 489.528 4.553 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 59503342 GULXCRZCHVOWIN-ISQHLFTMSA-N 465.292 4.778 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102707372 XDGUDTSUVLEHAK-SDHOMARFSA-N 465.465 4.799 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 106750443 ONEWIHGLJOSJLM-YVLHZVERSA-N 478.935 4.999 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409145446 QGKWXAZPSBIRKZ-XMMPIXPASA-N 463.515 4.630 5 40 JJBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3231134 HDQHVMYXKWNHLH-QGZVFWFLSA-N 465.531 4.604 5 40 JJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 9714836 JFJVBYKGFWWGCD-UHFFFAOYSA-N 488.934 4.911 5 40 JJBB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccco1 13425374 HECHVFQUHBWCSG-MRXNPFEDSA-N 493.545 4.931 5 40 JJBB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13576941 PODJUYNVRGDGAR-IBGZPJMESA-N 461.470 4.652 5 40 JJBB CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088229 SGTRWMWBVVJYAO-UHFFFAOYSA-N 462.478 4.666 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224614376 HWHKZEBRZKKKIU-PKTZIBPZSA-N 457.515 4.663 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408686600 SDJZJUOIMPZGNJ-MZMPZRCHSA-N 490.343 4.880 5 40 JJBB CCc1cccc(CC)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409114086 INXHOVIZDIRXKQ-UHFFFAOYSA-N 467.547 4.554 5 40 JJBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 409336585 PXMLZRFQVRBAPM-UHFFFAOYSA-N 495.447 4.872 5 40 JJBB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3332257 LLXMFGUPTWJCFQ-UHFFFAOYSA-N 482.905 4.958 5 40 JJBB aggregator Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 6280741 JSYQLSMQMPZAFI-UHFFFAOYSA-N 492.536 4.966 5 40 JJBB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1C 9466189 KQTWRIPEBLOONF-UHFFFAOYSA-N 491.529 4.549 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 13776923 PNRAUUFHWKLZIG-HKBOAZHASA-N 484.295 4.953 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c(C)c1 14154004 RHYCJOBILHWQQP-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15971384 PMZFVCYLBMROGR-WPWBMXPQSA-N 479.895 4.763 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225751571 HTQWHCYTYLPBKV-MBSDFSHPSA-N 487.622 4.559 5 40 JJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 408602548 CJJYUWQPMKISFG-GQCTYLIASA-N 467.522 4.534 5 40 JJBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409208684 DUSVFERIOLCQOR-AWNIVKPZSA-N 455.673 4.957 5 40 JJBB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 853506 QIZVXAHALNBZMV-NSHDSACASA-N 463.313 4.835 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 990439 YZEBSWMPBSGRPO-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2cc(OC)ccc2cc1C 6089696 WSMSSYINOVHQMA-UHFFFAOYSA-N 471.535 4.988 5 40 JJBB CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 12855104 KKINLUQWXSTNAP-UHFFFAOYSA-N 471.989 4.633 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 20528705 GTUQKBDIEMNJKN-RMKNXTFCSA-N 470.957 4.595 5 40 JJBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1cccc(Cl)c1 22717881 FRNLKAOCIFYHME-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)O)nnc1-c1ccc(Cl)cc1 408633721 OTRKNSCPQYGXJY-LICLKQGHSA-N 490.925 4.762 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3)nc2N1 956244 MSGQQFXSRSESQT-JOCHJYFZSA-N 452.474 4.781 5 40 JJBB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)n1C1CC1 9466256 XWZYBXMNHWBEDQ-CQSZACIVSA-N 454.508 4.656 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Cl)cc1Cl 9848715 UAUAQCLVTDZEIT-UHFFFAOYSA-N 482.349 4.919 5 40 JJBB Cc1ccc(-n2c(C)nnc2SC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 12632652 XRICSNPQENPEMD-MRXNPFEDSA-N 451.552 4.961 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1C 15529215 XVXYLRJJHUOBHM-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 409125591 CZRMAFGKVTUDPO-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB COc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 1640493561 NGJRJPSWZQBKHN-HXUWFJFHSA-N 459.502 4.690 5 40 JJBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2215308 KXOYRROVOQAANS-UHFFFAOYSA-N 489.535 4.623 5 40 JJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(CC(C)C)s1)C3=O 2418086 ADNLWXKSKLBJCR-HXUWFJFHSA-N 476.514 4.809 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 6177099 GHAYONMQFUXEFC-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 9441821 GKDDYORFEIQTML-UHFFFAOYSA-N 461.543 4.911 5 40 JJBB COc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)cc1[N+](=O)[O-] 9509683 GJKDKKKDCLCRBZ-UHFFFAOYSA-N 471.293 4.560 5 40 JJBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 14411916 IOPMOVPCOOSPLM-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1C 14831561 DIZJMHQTXQOYDN-NTUHNPAUSA-N 451.504 4.664 5 40 JJBB C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 222913160 ZMHYVGCZYBYFDP-LJQANCHMSA-N 493.585 4.546 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225751548 HTQWHCYTYLPBKV-JPYJTQIMSA-N 487.622 4.559 5 40 JJBB CCOP(=O)(OCC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccc(F)cc1 8868914 KCLRLTBEGAXFRQ-UHFFFAOYSA-N 463.402 4.816 5 40 JJBB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl 15840235 SHAWJCFJWYNRCS-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 40151675 INJVGYBTIWPQAQ-OAQYLSRUSA-N 491.500 4.682 5 40 JJBB O=[N+]([O-])c1cccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1 95682007 DFURIDKCYSIFKR-UHFFFAOYSA-N 479.317 4.797 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 214466682 MRDCBCHLXHBKGX-UDWIEESQSA-N 463.471 4.838 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408682111 IVUPDHHWORSRSH-RBUKOAKNSA-N 488.327 4.800 5 40 JJBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 409228836 FWJNFMBGAZMEIX-VGOFMYFVSA-N 469.700 4.953 5 40 JJBB COC(=O)c1cc(NC(=O)c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 3671496 DXSLZZPENCKVJB-UHFFFAOYSA-N 472.519 4.845 5 40 JJBB COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 14276099 JHUFBSHTDGXIKU-UHFFFAOYSA-N 482.518 4.585 5 40 JJBB CC(=O)c1sc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1-c1ccccc1 14657951 HRWRIFVZVWJKSD-UHFFFAOYSA-N 450.520 4.776 5 40 JJBB CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nc(=O)c12 16091235 HPZGMJHEMIKOHM-LLVKDONJSA-N 460.581 4.829 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 35851890 QPGZIVYPMJDZHQ-LAOBSVPGSA-N 485.565 4.722 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 102087815 XRYDYBKKKRWOKG-ALTZYDRJSA-N 491.503 4.968 5 40 JJBB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccc(OC)cc1 103890937 BLYDXGHPTSXNEC-FRKPEAEDSA-N 477.385 4.776 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 409362238 UMKHGORGDGDXRF-UDWIEESQSA-N 496.932 4.773 5 40 JJBB CCN(CC)[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1NC(=O)c1ccco1 9090891 CPNXWXQTUYTLOA-UUWRZZSWSA-N 485.481 4.778 5 40 JJBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccc2ccccc12 9344934 OCZMAKKQGPTZDT-UHFFFAOYSA-N 450.454 4.764 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 409165191 UNBKJEOLVRDJPM-UDWIEESQSA-N 463.471 4.838 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 409172608 DLOZHFGNNGRLGN-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 851204 WEZPMHNGQDBMCR-JTQLQIEISA-N 469.306 4.983 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC 9009871 NFBWHXRHXJKGAQ-NVQXNPDNSA-N 478.549 4.708 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)cc1[N+](=O)[O-] 9661735 MXZXPRKPGTXSCI-QGZVFWFLSA-N 492.561 4.553 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(=O)N(c2ccccc2)N=C1C 16607472 YTKVKPSZZLYYEO-SVBPBHIXSA-N 479.496 4.510 5 40 JJBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(Cl)cc1C(F)(F)F 62362335 RFWXJSCUPNGZOR-UHFFFAOYSA-N 493.873 4.576 5 40 JJBB C[C@H](OC(=O)c1ccc(-c2cccnc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 79112769 KETXYNMUOYABPE-NSHDSACASA-N 465.409 4.921 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 101111005 QFBRVYRJRGJSGC-BDTNDASRSA-N 498.322 4.948 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 408584106 LQAJFJWLJLOONU-UHFFFAOYSA-N 453.520 4.584 5 40 JJBB Cc1ccc(C(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408689006 XLGGCMWHIOKWJZ-HSZRJFAPSA-N 451.500 4.510 5 40 JJBB CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 409334666 LULDKTHXRPTGCM-UHFFFAOYSA-N 496.596 4.851 5 40 JJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2709799 HEIOUEFSYSEKEK-UHFFFAOYSA-N 494.554 4.598 5 40 JJBB O=c1c2c(nc(SCc3ccc(Br)cc3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 2720095 DWFSOBCYEMEKCN-UHFFFAOYSA-N 476.377 4.844 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2)c1C 9058876 OIXWTUFBDTXBQG-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])c2)cc1 9444289 KFQHXGMHTFIFDH-AWNIVKPZSA-N 487.921 4.710 5 40 JJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)nc12 10010636 MZUQRIGRCPNCBQ-UHFFFAOYSA-N 454.420 4.942 5 40 JJBB Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 12635446 BEEPNFYSWRULFX-UHFFFAOYSA-N 474.542 4.701 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 223481820 FTFMUZJHOKTHTA-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])cc1C 408919167 UGWFJSCYEIRFMG-VUUXHMSQSA-N 458.901 4.959 5 40 JJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 409179364 QREIHUAFKOQZEK-UHFFFAOYSA-N 494.308 4.774 5 40 JJBB Nc1ccc(S(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 3953531 MCWRBORYNAVAGX-UHFFFAOYSA-N 482.396 4.680 5 40 JJBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C)cc1 9441127 ICTZAGXNPHKMDN-OUKQBFOZSA-N 473.489 4.571 5 40 JJBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611825 PBJJAYKKFKUFBG-JXMROGBWSA-N 453.882 4.997 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408683227 KWQZUMSJRPAKSL-CALCHBBNSA-N 476.316 4.634 5 40 JJBB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731102 KOEMEYIOUXHHKE-JOCHJYFZSA-N 485.562 4.725 5 40 JJBB O=C(COc1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 8462934 PQXFBJUEVAOFII-WJOKGBTCSA-N 488.387 4.852 5 40 JJBB CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 9669418 NIYURPCTHLNBIQ-UHFFFAOYSA-N 473.558 4.983 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2cccc(Br)c2)no1 11278751 HVUKMHVUKJCJFC-UHFFFAOYSA-N 490.313 4.711 5 40 JJBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 22566943 YHHSKMHJCQHIRP-UHFFFAOYSA-N 459.506 4.997 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 409053187 MLSZAGYSTFCIGU-UHFFFAOYSA-N 457.530 4.676 5 40 JJBB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792257 XUCWJHGHLOKMHH-SFHVURJKSA-N 491.547 4.727 5 40 JJBB biogenic CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ncccc5o4)cc3)cc2[N+](=O)[O-])CC1 9192657 BDNADQWEJHXHSO-UHFFFAOYSA-N 471.517 4.964 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 14404977 PSEYQUQUWVJERL-UHFFFAOYSA-N 455.474 4.902 5 40 JJBB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)O[C@@H](C)C2 15583720 GEOQSZXCDLELSS-RYUDHWBXSA-N 453.417 4.775 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223947418 KJFLIVCQAHZWNN-HSZRJFAPSA-N 487.622 4.560 5 40 JJBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 409347886 RJFFDGNWQBTORZ-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)s2)cc1 9982871 GUVSZJXKQDHTSG-GFCCVEGCSA-N 459.553 4.880 5 40 JJBB COc1ccccc1-c1nn(Cn2nc([N+](=O)[O-])cc2C)c(-c2ccccc2OC)c1Cl 13960777 OGMDTVSJEVYQKS-UHFFFAOYSA-N 453.886 4.807 5 40 JJBB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 57744442 VHTLOAHGWBUOME-ZDUSSCGKSA-N 461.444 4.584 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223715254 VWAYRGLNIPQXLC-IBVKSMDESA-N 491.563 4.831 5 40 JJBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccccc1)CC2 2980104 XECHHEJIPKHIBE-QFIPXVFZSA-N 463.490 4.822 5 40 JJBB COc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc([N+](=O)[O-])cc4[C@H]3C2)cc1OC 36352148 CHRJHEBVQLQVCU-YKSBVNFPSA-N 476.445 4.763 5 40 JJBB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 57328151 BHWHDJKMHNLUNA-UHFFFAOYSA-N 499.508 4.863 5 40 JJBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 100091611 RDYAAFIMNVFUBF-GETUCHRZSA-N 493.566 4.817 5 40 JJBB C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 222913312 IWSJSDYNBAYJQS-LJQANCHMSA-N 493.585 4.546 5 40 JJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223273787 CULDYRVACFDRIS-DEOSSOPVSA-N 479.964 4.567 5 40 JJBB Cc1c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408587784 UMVGAQWYXFEUEL-UHFFFAOYSA-N 491.928 4.525 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409060163 YBELMRIOKLYOLI-LPYMAVHISA-N 492.509 4.926 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCC2)c1C 2762183 DJKGEJLHULCSOV-UHFFFAOYSA-N 479.942 4.720 5 40 JJBB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062402 AUXAXCBHTHHJLD-UHFFFAOYSA-N 493.863 4.811 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 9361332 PTRLPRDADMWKPV-ZLNRFVROSA-N 493.903 4.698 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccccc3OC)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060463 KYWMMYWKNSWQLU-XZOQPEGZSA-N 485.500 4.585 5 40 JJBB Cc1cc2nc(-c3ccc(CNC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2cc1C 10120395 YFVARXVVEOQJGF-UHFFFAOYSA-N 486.528 4.786 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 10211525 DSSIRWJCVRZYCT-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C)c2C)cc1 14411152 FBPFSHSIZKWHDD-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@@H](C)CC[C@H]3O)ccc(O)c12 90528754 LBNWMCYHIWPXDJ-VWUJSKNHSA-N 450.487 4.732 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CCCN12 408569355 VUVACKKCPDPJNG-RAKSCHNQSA-N 489.959 4.974 5 40 JJBB CCOc1cc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2OC(=O)c3ccccc32)ccc1OC 984550 HJDFEEYYRRDUFE-XZOQPEGZSA-N 463.442 4.812 5 40 JJBB O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 1314613 MCMMNPQWDQQRMU-DEOSSOPVSA-N 458.905 4.683 5 40 JJBB CCOC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018277 OVGWDPFFLMFOJK-QFIPXVFZSA-N 465.462 4.668 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1cccc([N+](=O)[O-])c1 4157240 AEYBGUDTOYQWEC-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8831863 DZWYSXMWIVXNGQ-UHFFFAOYSA-N 457.490 4.535 5 40 JJBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12624847 CRSWVSWOFYRMAN-STQMWFEESA-N 481.336 4.574 5 40 JJBB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12914222 YNTXGZADPKKQEA-UHFFFAOYSA-N 489.956 4.798 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408686828 SHWHBSIBXZATIV-ASUYLVSUSA-N 488.327 4.656 5 40 JJBB O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409235035 ARJDIDHAQCLOGO-OEAKJJBVSA-N 470.460 4.830 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 9289031 BHVJXZRRQQIGJX-DNQXCXABSA-N 469.501 4.885 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 13839009 VZKNFMORHXLKBU-XZOQPEGZSA-N 455.474 4.576 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15970595 LHXBEALTCFEOFJ-WPWBMXPQSA-N 461.905 4.624 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc1)C2=O 16266108 PFZNVFSLIFTLEL-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 20490107 JGWYZQMESFXKAE-UHFFFAOYSA-N 453.520 4.945 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 59503343 GULXCRZCHVOWIN-CAZKKTPXSA-N 465.292 4.778 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224245726 TULSRFHZLYSZBG-KRWDZBQOSA-N 478.014 4.671 5 40 JJBB COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 408568079 HOSVJIWZIZWAIN-KRWDZBQOSA-N 467.320 4.596 5 40 JJBB Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408922504 BKOLEAXFZZTPAW-HAVVHWLPSA-N 454.486 4.572 5 40 JJBB COc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409139079 MCECYHZTOPNOCY-UHFFFAOYSA-N 497.573 4.869 5 40 JJBB O=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)ccc1Cl 855156 KBTLVKZUCZYPAQ-NRFANRHFSA-N 460.964 4.936 5 40 JJBB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 876338 LWOZGCONQOUAOU-CQSZACIVSA-N 475.958 4.866 5 40 JJBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)ccc1[N+](=O)[O-] 9669101 JGLCPQMGSCTWPH-VGOFMYFVSA-N 470.529 4.518 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(Cl)sc1Cl 11852365 RQVMQYQWVAKTNB-UHFFFAOYSA-N 464.333 4.505 5 40 JJBB CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777588 CFCOEPKLVAPZEH-UHFFFAOYSA-N 455.883 4.592 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 105346339 QPGZIVYPMJDZHQ-JPYYHWIRSA-N 485.565 4.722 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409169780 ZXQXQMMUVPWSJC-VGOFMYFVSA-N 457.895 4.701 5 40 JJBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)c(C)nc32)cc1 2407888 NFHFSXHMWVNSEO-UHFFFAOYSA-N 499.571 4.585 5 40 JJBB Cc1cc(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC(C)(C)C2)ccc1[N+](=O)[O-] 8444373 NQBMQEALBCMZJN-IBVKSMDESA-N 496.564 4.865 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl 15422503 IZAITOQXKNRPQZ-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 20529017 IGUNOPVBNIGTJV-AWNIVKPZSA-N 490.947 4.863 5 40 JJBB COC(=O)C1=C(C)NC(CSc2nccn2-c2ccccc2)=C[C@H]1c1cccc([N+](=O)[O-])c1 100914498 YGPOWEBEWVERFC-NRFANRHFSA-N 462.531 4.591 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 138838663 NJKUOSYMBRZZAF-ZNZDAUKMSA-N 490.343 4.880 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409175958 FZMVXQVSWHNMJJ-MDWZMJQESA-N 457.895 4.701 5 40 JJBB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409189266 OEONISBAKLCILW-COYSUQGBSA-N 470.437 4.567 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 6906667 ZRCSODXCZOGZGP-UHFFFAOYSA-N 475.530 4.641 5 40 JJBB O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCOCC1 8843569 KIPNWELFYJLRIS-SYAXVNJYSA-N 462.654 4.941 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 9355979 OVQKUIULOHADAP-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)cc1 9892179 DGVTTWLQEISOOC-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13576938 PODJUYNVRGDGAR-LJQANCHMSA-N 461.470 4.652 5 40 JJBB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 19929137 GZNZNONLLCTHRF-UHFFFAOYSA-N 455.279 4.691 5 40 JJBB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 20632602 WNXWNZQLNHZPDI-OAHLLOKOSA-N 465.922 4.891 5 40 JJBB COc1cc(-c2noc(-c3ccc(N4CCCC[C@@H]4C)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 20897806 ACMQKLQDDAAMTA-AWEZNQCLSA-N 454.483 4.716 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224209803 YBMAIZNCRFTXPL-KRWDZBQOSA-N 478.014 4.671 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1912584 QXXAXQGDKDMGFM-QFIPXVFZSA-N 498.520 4.564 5 40 JJBB O=C(Nc1ccc2ccccc2c1)c1ccc(NCc2nnc3n2CCCCC3)c([N+](=O)[O-])c1 8720892 SRIMDZXOUAUBCA-UHFFFAOYSA-N 456.506 4.930 5 40 JJBB CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 9030661 LOORODDBINGTHV-UHFFFAOYSA-N 484.530 4.976 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 9668095 UAYOZYDCYHACKI-UHFFFAOYSA-N 476.533 4.802 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)Oc3ccc4c(c3)oc(=O)c3ccccc34)C2)cc1 11866755 JQGJKFNYCYEWPK-OALUTQOASA-N 491.565 4.697 5 40 JJBB COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 14276107 GDYLUCBMELEJKX-UHFFFAOYSA-N 482.518 4.585 5 40 JJBB COc1ccc(-c2noc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)n2)cc1 15833798 DJFZGSCCKLSAMN-UHFFFAOYSA-N 471.517 4.643 5 40 JJBB COc1c([N+](=O)[O-])cc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1[N+](=O)[O-] 21123693 ICITUNFJHQSQHD-UHFFFAOYSA-N 476.239 4.688 5 40 JJBB Cc1ccc(-c2nc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)sc2-c2ccc(C)cc2)cc1 58135400 FVQMKUGLXVXLAO-UHFFFAOYSA-N 460.515 4.803 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)[C@H]1CCC 102771950 NFBWHXRHXJKGAQ-ATIYNZHBSA-N 478.549 4.504 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 409355507 CGFUDAXWGFFGIX-SRZZPIQSSA-N 493.453 4.991 5 40 JJBB Cc1ccc(C(=O)n2nc(-c3ccccc3)nc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9057299 DPOPHPSTFDDVGY-UHFFFAOYSA-N 473.514 4.581 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9109205 XRYDYBKKKRWOKG-HFASVGIHSA-N 491.503 4.968 5 40 JJBB CC(C)C(=O)Oc1cn(CCCN2CCCC2=O)c2nc(C(C)C)n3c4ccccc4nc3c12 9242992 KRCWGHKIEZGQJY-UHFFFAOYSA-N 461.566 4.535 5 40 JJBB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2cccs2)ccc1F 9569338 BJVPDJNAQSPSRA-LJQANCHMSA-N 482.942 4.702 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223832102 KRTTUYZPNVJTKS-KRWDZBQOSA-N 490.025 4.958 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 408623235 RHKFIMMSMUWTAI-FPMFRTRJSA-N 458.901 4.993 5 40 JJBB COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 409198915 GEYAACNTIBUZBF-HSZRJFAPSA-N 473.514 4.873 5 40 JJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCCc2ccccc21 868984 JAJHURQPDYRIIS-UHFFFAOYSA-N 471.542 4.914 5 40 JJBB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] 950224 CWJXQGFNHRIDAR-UHFFFAOYSA-N 452.850 4.583 5 40 JJBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 8993450 JSCDKXLWJZCLOH-UHFFFAOYSA-N 488.500 4.760 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060466 KYWMMYWKNSWQLU-PKTZIBPZSA-N 485.500 4.585 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(N(C)C)c([N+](=O)[O-])c1 16682306 CUKFQCUDAKHWBO-UHFFFAOYSA-N 493.560 4.939 5 40 JJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409094925 GJQBLQSBHYEQIH-NSMHLIOHSA-N 492.509 4.925 5 40 JJBB CC(C)(C)c1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)NCc2ccccc2)cc1 1857793734 XVLSYRLIMYCNNX-UHFFFAOYSA-N 457.530 4.980 5 40 JJBB Cc1c(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC(C)(C)C2)cccc1[N+](=O)[O-] 8443696 QJVRZRDCBHZSRU-QYBDOPJKSA-N 496.564 4.865 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC 9187837 KWNCGDRNOUNLFZ-HOFKKMOUSA-N 492.576 4.812 5 40 JJBB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 89618685 OEXGTMQPUBNBML-UHFFFAOYSA-N 494.525 4.660 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 408548108 PIDOCCYKKLRIIC-UHFFFAOYSA-N 469.519 4.582 5 40 JJBB Cc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 408781666 FAABTTYMQAKPPT-LMSRTUJASA-N 479.561 4.535 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408918449 KPHHIAUFPCIMJZ-YCIYHOANSA-N 489.325 4.806 5 40 JJBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 409180294 WAPQHPAFXLQSAF-SANMLTNESA-N 476.485 4.798 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 9289008 PDNBSQMPNIOSDX-GOTSBHOMSA-N 455.474 4.576 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)o2)cc1 39762022 QXHALIVJPZJUPW-MDWZMJQESA-N 485.456 4.558 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223657873 SMDDJVVVCYBLSA-IBVKSMDESA-N 491.563 4.831 5 40 JJBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O 409180801 VSGLBFKCNKVQPH-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409333325 RWBOWBZIRQHPTE-UHFFFAOYSA-N 457.899 4.829 5 40 JJBB CC(C)c1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1357299 BOQOVOOEZYRLGH-MRXNPFEDSA-N 479.606 4.810 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CCCNC(=O)OCc3ccccc3)ccc12 2151979 QZEPQKUJWFHNQV-UHFFFAOYSA-N 461.470 4.567 5 40 JJBB biogenic COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(C)c2c1 2662596 ABCQFQRGBITHLC-CYBMUJFWSA-N 481.486 4.966 5 40 JJBB O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2685939 CGTYTXQWWXYVGZ-NRFANRHFSA-N 457.820 4.710 5 40 JJBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9192300 JMCLZHZNLZDCNX-UHFFFAOYSA-N 457.490 4.718 5 40 JJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(CN2CCCC2)cc1 9634917 DVFKKZLNDSQVFM-UHFFFAOYSA-N 453.486 4.618 5 40 JJBB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9829775 SMOMPFOVEQQAND-DHZHZOJOSA-N 476.514 4.863 5 40 JJBB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 15796362 RDSQXJCYTVZSKD-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 20518556 GWWBCAZAJVPJLP-IPVQETTRSA-N 485.565 4.722 5 40 JJBB COc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 21579265 BHOAZPCPSOKDMB-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408570232 ZXLCVJATWVFLRO-QXGAZULMSA-N 479.536 4.941 5 40 JJBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC 408574419 UTIOQOPMWSWQCO-SFHVURJKSA-N 493.383 4.774 5 40 JJBB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 8685116 JUIMWHRIWCASKD-UHFFFAOYSA-N 459.542 4.712 5 40 JJBB aggregator O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)o3)nc2c1 8848684 GKXIYIWZBDUYRF-BJMVGYQFSA-N 497.554 4.656 5 40 JJBB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 10219081 MZLFDVNBQBKOFH-UHFFFAOYSA-N 471.969 4.626 5 40 JJBB CC1(C)C[C@]2(C)C[C@@](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)[C@@]13O[C@]1(CC(C)(C)CC3=O)C2 103750290 SBUQBCVVCLTAGI-ZFFYZDHPSA-N 486.521 4.916 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 138259391 PKPFHGIUQUSLQN-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 138766590 YGRIMGAEWUMEJS-UHFFFAOYSA-N 477.473 4.678 5 40 JJBB Cc1cccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)c1 408588406 WAPDYLPOKVCGFC-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649482 DPTHZRGXNSZFHU-LMHXZZLNSA-N 465.292 4.692 5 40 JJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409012476 KHNAVYRBTNVWFE-QLPFJNHISA-N 493.541 4.894 5 40 JJBB Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2732677 GPTOORLYOWKIMC-LBPRGKRZSA-N 472.962 4.705 5 40 JJBB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 4125294 PHPANWRLEJLNHB-UHFFFAOYSA-N 480.609 4.745 5 40 JJBB CN(c1ccccc1)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1[N+](=O)[O-] 9670156 KBFXETNVFYWTSP-GHRIWEEISA-N 468.469 4.715 5 40 JJBB O=[N+]([O-])c1cnn(CCc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)c1 13643923 COMORVJOJNWWBN-UHFFFAOYSA-N 492.471 4.839 5 40 JJBB CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2s1 16161319 BZQBCBIUWIZBNP-UHFFFAOYSA-N 466.544 4.649 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 43572278 JBMAJIRBABAZQR-HWXYTADMSA-N 495.557 4.614 5 40 JJBB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 96921005 HGRKFTLTCUUFIX-YZILGEIOSA-N 489.962 4.559 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 408941619 WMCWITCOAYNYHM-UDWIEESQSA-N 463.471 4.838 5 40 JJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1[N+](=O)[O-] 2226581 ZIZJASTXDHGSPW-UHFFFAOYSA-N 456.506 4.855 5 40 JJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 2685916 HTVYDZWYXUWSJY-JOCHJYFZSA-N 498.308 4.989 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8445748 SHFSRVBFUIYTSW-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB COc1ccc(CN(C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H](C)Cc2cccs2)cc1 13159791 UGYDSKUBWWMZCX-SFHVURJKSA-N 482.558 4.790 5 40 JJBB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])o1 13306659 VVXPTXZBZATYJX-UHFFFAOYSA-N 456.263 4.548 5 40 JJBB COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-] 14291043 MJUDEEAQVICGRS-UHFFFAOYSA-N 480.952 4.831 5 40 JJBB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353311 RUIJVPDUMGSQLE-CQSZACIVSA-N 474.348 4.599 5 40 JJBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1cccc([N+](=O)[O-])c1 101010553 SEJDPDFQLOQJJW-OAQYLSRUSA-N 456.437 4.634 5 40 JJBB COc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] 408556395 KFSWMBATUQSFDH-UHFFFAOYSA-N 464.425 4.810 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 408585658 GWBAVPNRUWLKHH-UHFFFAOYSA-N 495.601 4.701 5 40 JJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1C 9284871 BQYGJXAMGGPPJD-UHFFFAOYSA-N 474.546 4.644 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1[N+](=O)[O-] 9661734 MXZXPRKPGTXSCI-KRWDZBQOSA-N 492.561 4.553 5 40 JJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 15634918 XGQFYTHKKLFTQN-PXRHCINRSA-N 454.445 4.743 5 40 JJBB Cc1ccccc1-c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2o1 22565004 BIBOCLLSPMRPRQ-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C(NCCCc1ccc(F)cc1)c1cc(C(=O)NCCCc2ccc(F)cc2)cc([N+](=O)[O-])c1 59506564 TYMJFUUXCKSYIQ-UHFFFAOYSA-N 481.499 4.598 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 408623616 RIVPLFWAMZGSRH-NCMKUFGYSA-N 465.292 4.778 5 40 JJBB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408652947 PHBBOYUAYBNNQN-XUZZJYLKSA-N 472.497 4.819 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409231198 IQMQCNXEOSCEFI-XDHOZWIPSA-N 482.905 4.714 5 40 JJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCCOC(C)C)C3=O 1876009 FSFMYTAJHNFBEX-JOCHJYFZSA-N 450.491 4.678 5 40 JJBB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9847129 SLCIOXTUXXLLCC-UHFFFAOYSA-N 456.506 4.716 5 40 JJBB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 13856555 XWMUJXOMXUPTRR-UHFFFAOYSA-N 492.484 4.931 5 40 JJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC 19929380 WFULXDGBEDSJBB-UHFFFAOYSA-N 475.958 4.883 5 40 JJBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 20550432 UPTUHNWOBYOXAE-UHFFFAOYSA-N 486.532 4.541 5 40 JJBB O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc2ccccc2c1 409178402 HHKPYQUXMJRHBS-UHFFFAOYSA-N 480.432 4.588 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2CC(C)C)cc1 9465481 QUJFZBMEBOSWGC-UHFFFAOYSA-N 475.958 4.902 5 40 JJBB COc1c(Cl)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 16194500 NEZUGTBJYMIMPG-UHFFFAOYSA-N 478.254 4.891 5 40 JJBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 8809520 VGNFPSITLPMDBM-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)ccc2[N+](=O)[O-])n1 8815919 OQOZDYDVBCJWRE-UHFFFAOYSA-N 460.563 4.847 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC 9452813 AEFDHDCVJCRGQK-WNCULLNHSA-N 492.576 4.812 5 40 JJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(C)cc3Br)nc12 10010675 MNDNKSBUPZWABG-UHFFFAOYSA-N 466.313 4.610 5 40 JJBB CCCCn1/c(=N\C(=O)c2ccc3ccccc3c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176562 SNNJGJCVPPHZDF-ZXPTYKNPSA-N 494.551 4.520 5 40 JJBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 224831698 JPWPOIGNDIPKEE-UHFFFAOYSA-N 497.529 4.688 5 40 JJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408837896 ANIXMBHVGXQNKL-LFYBBSHMSA-N 474.794 4.624 5 40 JJBB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 8682552 INCJEMPLSCAZIM-UHFFFAOYSA-N 465.341 4.687 5 40 JJBB O=[N+]([O-])c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 15205242 WGUHVGGKFVQUEO-UHFFFAOYSA-N 454.533 4.953 5 40 JJBB COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1Br 17246655 KEMFYNRPVFLRBR-UHFFFAOYSA-N 464.297 4.507 5 40 JJBB O=[N+]([O-])c1cccnc1Sc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 408603848 HLUHHEBNNAXQHS-UHFFFAOYSA-N 470.308 4.857 5 40 JJBB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1075064 JDGBTDXOPAHYFA-UHFFFAOYSA-N 491.834 4.631 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1[N+](=O)[O-] 3273608 KMZOJTRZKNAMEC-UHFFFAOYSA-N 462.516 4.890 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13811590 DICDTGNVYWHHSF-DUOVIKOCSA-N 489.528 4.553 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409162858 IUKQCOVTYYOFQR-CIAFOILYSA-N 493.497 4.847 5 40 JJBB CCOC(=O)c1sc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nc1C 1562369036 OISMWSQUEYBMLT-UHFFFAOYSA-N 456.480 4.650 5 40 JJBB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 3319611 WCVHWYGPTUMUEY-NEPJUHHUSA-N 494.953 4.795 5 40 JJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20142852 GDNZLMZTUSKIMZ-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB CCN(Cc1ccccc1)c1nc2ccccc2nc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 24203758 NCVCHKFJEUWQAE-UHFFFAOYSA-N 477.546 4.674 5 40 JJBB O=C(NCc1ccco1)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 33313337 VSCWHVJTVNICKX-RCCKNPSSSA-N 457.442 4.535 5 40 JJBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 101342826 WMNITMGIFJDFOY-PZJWPPBQSA-N 481.295 4.684 5 40 JJBB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4Cl)n3C)oc12 409350929 SXIOZWKLWDRNPC-UHFFFAOYSA-N 473.898 4.529 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 6194275 MYZSZBNIIRFTFY-UHFFFAOYSA-N 492.536 4.966 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1-c1ccccc1 9588923 RVFZIJPQDUHVNY-UHFFFAOYSA-N 465.512 4.803 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1c(Cl)cccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 26463696 FUKZIHRZBGOIES-NCMKUFGYSA-N 465.292 4.778 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 408838311 DKAIJVKZHUBXND-HSGJKIJMSA-N 484.464 4.957 5 40 JJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409058137 ILMUQSYUBOOGDP-UHFFFAOYSA-N 451.504 4.805 5 40 JJBB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-] 9125359 VOVPWTUPNVMZPW-UHFFFAOYSA-N 456.838 4.845 5 40 JJBB Cc1ccc(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9427700 HPLNTAFBCJQZMQ-UHFFFAOYSA-N 491.525 4.758 5 40 JJBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225283173 HECFJOPJZUHPAD-LJQANCHMSA-N 466.365 4.778 5 40 JJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408574431 QNPACEXOVFSISJ-UHFFFAOYSA-N 483.908 4.647 5 40 JJBB CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408848310 VSHQMWDMVAEPIT-KGENOOAVSA-N 472.453 4.752 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409151352 GHSHXOCQGRWNKM-CHHVJCJISA-N 452.275 4.577 5 40 JJBB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409190102 KSGPLCYMQUCWBG-FRRKYVQWSA-N 484.464 4.875 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409243797 ULGMAGHVRJJPRT-OEAKJJBVSA-N 487.512 4.974 5 40 JJBB COc1cccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)c1 2968984 DHNUEFANAVZROH-UHFFFAOYSA-N 486.513 4.592 5 40 JJBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9662287 LYTDRSZOYBGTJG-UHFFFAOYSA-N 466.475 4.660 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1cccc2ccccc12 14132512 UONWHTQFKOASIL-HAHDFKILSA-N 475.526 4.821 5 40 JJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 84372362 YZHWPYUPXXEOCU-LJQANCHMSA-N 459.836 4.565 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225094041 WUNMDSMFOAVVRD-HSZRJFAPSA-N 497.592 4.547 5 40 JJBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c(Br)cc1OC 408566386 FNOBEKZHXHHJEO-LJQANCHMSA-N 493.383 4.856 5 40 JJBB CCn1c(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408631855 GVAQXNPLXBLYRH-BOPFTXTBSA-N 460.899 4.753 5 40 JJBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] 409365036 WYQJCOJQPUEYFR-FYJGNVAPSA-N 496.522 4.912 5 40 JJBB Cc1cc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1 2732661 AYTJOGVBVWANGR-JGSRLKPESA-N 474.565 4.669 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC 9446743 SGWKIXWUNBOLGB-SQJMNOBHSA-N 498.967 4.849 5 40 JJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 9618775 ALNQIGKSTSHSAG-UHFFFAOYSA-N 474.498 4.988 5 40 JJBB CCOC(=O)c1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 11692055 HUBABCRLMIRMOF-UHFFFAOYSA-N 456.502 4.881 5 40 JJBB O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307655 DICDTGNVYWHHSF-ZGXDEKTJSA-N 489.528 4.553 5 40 JJBB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3431283 DFKZMNRCCHWYHZ-VOTSOKGWSA-N 473.844 4.505 5 40 JJBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC 408565469 CAFGLNYQSAAGHX-KRWDZBQOSA-N 497.346 4.605 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1893745 ZRLVTRXRBHPGMY-UHFFFAOYSA-N 486.575 4.535 5 40 JJBB FC(F)(F)c1nnc2sc3c(nn12)c1ccccc1c1nn2c(C(F)(F)F)nnc2sc13 3850789 NLNLVXODRXXWLF-UHFFFAOYSA-N 486.386 4.744 5 40 JJBB biogenic CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)c(C)c1 14278546 FEPAIRITWXZUSC-UHFFFAOYSA-N 488.548 4.809 5 40 JJBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215004184 FCRQWFVIBYNZPO-YBFXNURJSA-N 451.416 5.000 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225069254 DNQGLLGWTRMIDK-QHCPKHFHSA-N 451.567 4.702 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)cc(Br)c1O 4014127 QHDOMNZCLXHXPJ-UHFFFAOYSA-N 450.470 4.731 5 40 JJBB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 6135610 IPGXHUOOSKAULN-UHFFFAOYSA-N 480.472 4.568 5 40 JJBB Cc1ccccc1N1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O 9089992 SZIZUGUDGRYZFG-GJZUVCINSA-N 470.485 4.747 5 40 JJBB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 12371481 HKXBBAHARITPFJ-RUZDIDTESA-N 459.502 4.907 5 40 JJBB COc1cc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)cc(OC)c1OC 101321328 OIZHOOWUQDIPSK-UHFFFAOYSA-N 476.441 4.646 5 40 JJBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCCC2)c(C(C)(C)C)c1 226071462 RXBWYFHMLPDSEM-QFIPXVFZSA-N 457.591 4.842 5 40 JJBB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409244795 IWGQUBXAJLZFPG-XDHOZWIPSA-N 492.937 4.909 5 40 JJBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c([N+](=O)[O-])cc1C 409359963 NRZHBDGKCLPFMN-NDENLUEZSA-N 469.519 4.520 5 40 JJBB COc1ccc(C(=O)N2[C@@H](c3ccccc3)COC23CCN(c2ccc([N+](=O)[O-])cc2)CC3)cc1 8857342 CDGXMANWKUJFKU-RUZDIDTESA-N 473.529 4.814 5 40 JJBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2Cc2ccccc2)cc1 13424470 FFFPMWHBNIGVHT-UHFFFAOYSA-N 489.557 4.853 5 40 JJBB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 13856556 DEKYOCVDCUWWNE-UHFFFAOYSA-N 490.468 4.735 5 40 JJBB COc1ccc(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1 15023553 RZBDQFIMCYYPGM-ATIYNZHBSA-N 494.548 4.756 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)c(C)c1 408585620 GNDAOFCRTSUAKR-UHFFFAOYSA-N 473.595 4.791 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccc([N+](=O)[O-])cc1 991341 ISGRRPDRGAJASB-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 2401241 LLDIQRIMKKLWCQ-FQEVSTJZSA-N 492.285 4.917 5 40 JJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)o2)cc1 8843959 KZKQTMSOHAKURG-UHFFFAOYSA-N 474.564 4.502 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9281601 ZVCZCKLSNDIVET-XMMPIXPASA-N 470.481 4.806 5 40 JJBB Cc1csc(Sc2ccc(C(=O)N3CCCN(Cc4ccc(F)cc4)CC3)cc2[N+](=O)[O-])n1 24830158 NHZABICBTRXVND-UHFFFAOYSA-N 486.594 4.998 5 40 JJBB O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Br)cc1 32910837 WKMRSUCMCIGTGQ-UHFFFAOYSA-N 470.279 4.627 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224318270 BVWZIXBYQLIGIM-OAHLLOKOSA-N 466.365 4.634 5 40 JJBB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9097237 SWTFLYTZGHDRIY-UHFFFAOYSA-N 479.486 4.963 5 40 JJBB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 9579876 DQAJYSMSNMIKMZ-ZDUSSCGKSA-N 460.943 4.733 5 40 JJBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1cccc([N+](=O)[O-])c1 16399815 GOECRAZTHHSAHK-UHFFFAOYSA-N 492.404 4.869 5 40 JJBB CCOc1cc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2OC(=O)c3ccccc32)ccc1OC 984552 HJDFEEYYRRDUFE-GOTSBHOMSA-N 463.442 4.812 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2CCc1ccccc1F 2224141 NUUMWXUQLXKYGY-UHFFFAOYSA-N 467.504 4.880 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2cccnc2Cl)nc2cc([N+](=O)[O-])ccc21 9119934 UHZPLIFKHAVIRW-UHFFFAOYSA-N 469.910 4.722 5 40 JJBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 9829693 ZMEZKRJKIQQCMV-UHFFFAOYSA-N 459.281 4.802 5 40 JJBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)CC1 409343752 ITYYWZCLRXMZMO-YBFXNURJSA-N 489.937 4.803 5 40 JJBB Cc1nn(C[C@@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730984 FYMJULBYTRWOBK-LLVKDONJSA-N 490.952 4.844 5 40 JJBB Cc1cc(C)c(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c(C)c1 3324887 LKSOICAVEBDZSI-UHFFFAOYSA-N 454.504 4.848 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 3420534 YQBUJVPHPFARLN-UHFFFAOYSA-N 466.906 4.678 5 40 JJBB Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ccccc2o1 8590651 GTVQYTRSIXCEIA-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 9056670 XTAHFRCRKVTTHH-UHFFFAOYSA-N 469.704 4.792 5 40 JJBB COc1c(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc2ccccc2c1Br 20410818 OBOSYOQSMMFLOO-UHFFFAOYSA-N 486.322 4.608 5 40 JJBB CCc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc1-c1nc(-c2ccccc2C)no1 20898187 CEGWLMABPVSBNB-UHFFFAOYSA-N 465.491 4.657 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 409409025 FWJJQDISSBUMCT-UHFFFAOYSA-N 489.937 4.927 5 40 JJBB C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 8824993 UZXGRACJRARYFF-CYBMUJFWSA-N 484.848 4.953 5 40 JJBB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 8831769 BZXHMUWWICFVKC-QGZVFWFLSA-N 467.595 4.701 5 40 JJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 9585036 VNVNEABEJOQFHA-QHCPKHFHSA-N 495.285 4.761 5 40 JJBB O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 9662181 OVFWDEDZQACOTK-HSZRJFAPSA-N 452.470 4.900 5 40 JJBB CC(C)(C)NS(=O)(=O)c1ccc(SCc2ccc(Br)cc2)c([N+](=O)[O-])c1 13129161 JVWRVFRHXWKKBO-UHFFFAOYSA-N 459.387 4.726 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154391 BJCOVVYZBGDXPA-JXMROGBWSA-N 452.898 4.570 5 40 JJBB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 46007472 IMGGQOUWCHPBLA-UHFFFAOYSA-N 451.527 4.529 5 40 JJBB COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 72280656 GYMVVCWHASLRLT-KRWDZBQOSA-N 451.342 4.822 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2O)cc1 6280089 ZQNPOZKSUGGAPS-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 13068546 YVCNZORHBKXXJF-UHFFFAOYSA-N 465.940 4.912 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 13803858 VFYBMGMVZNNLCW-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 16476486 DKKZFFNACKYBFD-FQEVSTJZSA-N 487.249 4.980 5 40 JJBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408565961 DKRYPRDOXWYZNV-SFHVURJKSA-N 493.383 4.856 5 40 JJBB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2094624 XHGOLVBCJCMCNG-MZNJEOGPSA-N 493.581 4.862 5 40 JJBB biogenic Cc1ccc(OCc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2Cc2ccco2)cc1 2659147 FGDPPUAYKXKMQE-UHFFFAOYSA-N 494.529 4.874 5 40 JJBB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12 12140831 GYXYDLDOOKKSIZ-UHFFFAOYSA-N 470.576 4.945 5 40 JJBB Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 12621070 NJLOMHHJFRMSKB-UHFFFAOYSA-N 474.395 4.856 5 40 JJBB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(N2CCCCC2)c2ccncc12 30013261 WSVCQFIMPDJYDC-QPJJXVBHSA-N 460.490 4.652 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408671117 SVZYOISXJSGTTJ-SFHVURJKSA-N 474.513 4.888 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409066802 BMJBISFOBKBYCX-LPYMAVHISA-N 491.475 4.805 5 40 JJBB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409192442 XMEMUNOGHNHHLQ-TWSKGESGSA-N 484.464 4.875 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)c1ccc(Br)cc1 409224504 LZJHXISNXUQZGK-PXNMLYILSA-N 481.711 4.930 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 9335177 YGHWULNNVZHDMK-UHFFFAOYSA-N 460.895 4.684 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408620874 MRDLFHWKTMDJJH-UHFFFAOYSA-N 470.263 4.558 5 40 JJBB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409237698 LABZPUYFIROBIS-LICLKQGHSA-N 494.729 4.892 5 40 JJBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1 8587028 SGCXDRVJDLKMFG-UHFFFAOYSA-N 457.490 4.647 5 40 JJBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)nc2c1 9064882 KPWKXSMUGWGYKB-UHFFFAOYSA-N 462.487 4.798 5 40 JJBB COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCc3ccccc3[N+](=O)[O-])c2n1 21788892 DPAVTPUBRSHAAS-UHFFFAOYSA-N 472.379 4.689 5 40 JJBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 22854777 PWDZXEJUNFYDIV-HXUWFJFHSA-N 498.996 4.532 5 40 JJBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)cc2[N+](=O)[O-])cc1 32124569 SPDFVDIFPHCKLA-MOSHPQCFSA-N 483.571 4.713 5 40 JJBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccco1 2257234 MIQFFVTWKZSRBT-UHFFFAOYSA-N 455.905 4.946 5 40 JJBB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 3237760 YKNSLLHYIVPHRH-UHFFFAOYSA-N 499.526 4.520 5 40 JJBB Cc1ccc(CNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)cc1 9860255 OWQNXOHIRFHNBQ-UHFFFAOYSA-N 475.556 4.540 5 40 JJBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)sc2nc3ccccc3n12 12285170 WEPNADFHLFLTOY-CIAFOILYSA-N 463.902 4.598 5 40 JJBB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1-c1ccccc1 25393759 BDUCDLDBXBNLKJ-UHFFFAOYSA-N 464.865 4.691 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 408569764 XTOLVERTUVVGGT-UQBYDPJISA-N 489.959 4.974 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(C)c1 408574845 LVTXROBYWGYVBF-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 408640268 IHMVMHCQQZSZAQ-KRWDZBQOSA-N 461.474 4.696 5 40 JJBB COc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c([N+](=O)[O-])cc1OC(F)F 12609851 DBXSNBNKJKWSRK-UHFFFAOYSA-N 472.448 4.996 5 40 JJBB O=C(O)[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2n1[C@@H](C(=O)O)c1ccccc1)c1ccccc1 16477181 XTPPYDCZVVJLND-UXHICEINSA-N 463.471 4.537 5 40 JJBB CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 16790678 ZJPKVLDINOZOSO-AWEZNQCLSA-N 455.795 4.664 5 40 JJBB Cc1ccc(C(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408684188 MYWPVAZSTVETLH-HSZRJFAPSA-N 451.500 4.510 5 40 JJBB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc([N+](=O)[O-])cc1 862089 MUGBZBMHSGZHJF-UHFFFAOYSA-N 451.430 4.623 5 40 JJBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2422643 QJVPGYUGIVIWJS-UHFFFAOYSA-N 469.545 4.944 5 40 JJBB Cc1nn(CCNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] 2796588 ZHXMOSVMIRBJEC-UHFFFAOYSA-N 463.321 4.724 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)n1 8827419 KDLFLTWZTTVLGT-QGZVFWFLSA-N 498.314 4.978 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 13401480 UGTZNUVSKVRYCJ-UHFFFAOYSA-N 450.476 4.749 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 102772007 GWWBCAZAJVPJLP-ANNHOSHMSA-N 485.565 4.722 5 40 JJBB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 215011560 CIUWJLJGWMXJMJ-UDWIEESQSA-N 464.455 4.878 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4OC)c(C)nc32)cc1 2224977 UDAQSVQEALDOFR-UHFFFAOYSA-N 477.524 4.658 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC 9447362 BNPAIHBRPUINEB-BKMJKUGQSA-N 478.549 4.504 5 40 JJBB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 14271299 FUJFHLZUYQMUQZ-UHFFFAOYSA-N 472.910 4.984 5 40 JJBB COc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1 15023547 RZBDQFIMCYYPGM-GJZUVCINSA-N 494.548 4.756 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 409367442 ZEJDKAXFNFOIJM-UHFFFAOYSA-N 495.601 4.701 5 40 JJBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c(C)c1 409374477 QQDJZBYOXLMRPA-MFOYZWKCSA-N 459.911 4.848 5 40 JJBB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1927978 GVOROFQOMVDXIF-UHFFFAOYSA-N 456.476 4.526 5 40 JJBB COc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)nc(C)c2=O)c1 2239303 HQSWEQMNPUYXPP-UHFFFAOYSA-N 470.485 4.685 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6136668 AGYKBNDQKLGELV-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c([N+](=O)[O-])cc1OC 9569379 GDVNVTARCCOPNT-UHFFFAOYSA-N 467.503 4.519 5 40 JJBB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856561 KRGAAHKJDQVBRF-UHFFFAOYSA-N 492.484 4.931 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14271859 WKTQBVLEFBGTFT-UHFFFAOYSA-N 462.959 4.620 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2c1 14272241 NDXUTFILSLZJJM-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 26780130 NYUBSMQXGONDTH-HXOBKFHXSA-N 484.513 4.784 5 40 JJBB O=C1[C@H]2[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 102730078 CJNZCBZZPHBHJA-ISJGIBHGSA-N 481.464 4.906 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223030611 AKHSZPQFZBLWQO-SJORKVTESA-N 478.014 4.813 5 40 JJBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408657516 UKLHSCOHESJUKZ-QGZVFWFLSA-N 494.887 4.820 5 40 JJBB O=C1OC(c2ccco2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408840838 CEEWAYYABOBYRP-LFIBNONCSA-N 483.230 4.514 5 40 JJBB O=C(O)c1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408995027 KUPNIHSTDAWFSN-UHFFFAOYSA-N 482.404 4.612 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] 409331330 AWHMKZJQOQSYHI-HUUCEWRRSA-N 496.570 4.615 5 40 JJBB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 976290 LCPGCTKLUCIBIV-UHFFFAOYSA-N 494.499 4.876 5 40 JJBB O=C(N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3183890 LVPSODJDFAQMNB-AWEZNQCLSA-N 482.176 4.661 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14275395 MFRJIMODCFXJHC-UHFFFAOYSA-N 486.557 4.865 5 40 JJBB O=c1[nH]c(/C=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)nc2sc3c(c12)CCCC3 25423933 DYZSSQJKXAFTFE-VQHVLOKHSA-N 463.544 4.883 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225519719 VEGBZWJTCVBRSJ-JWQCQUIFSA-N 499.552 4.861 5 40 JJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 409181066 VJMKNULZAVXRER-UHFFFAOYSA-N 494.308 4.774 5 40 JJBB Cc1c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 2685907 GYUKMGDEPAIDNE-JOCHJYFZSA-N 480.318 4.850 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289000 JVTXRCVFKYRIHJ-PKTZIBPZSA-N 455.474 4.576 5 40 JJBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1cccc(Oc2ccccc2)c1 59417136 HMHHNOFISXITDB-UHFFFAOYSA-N 476.407 4.980 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102766970 AWEMUSNXCYCNEW-HBMCJLEFSA-N 483.402 4.665 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103590964 SUFMMOGATWGVPE-FPOVZHCZSA-N 481.295 4.684 5 40 JJBB COc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)c([N+](=O)[O-])c1 8833225 HCKCCWCXTHSOEQ-UHFFFAOYSA-N 490.335 4.655 5 40 JJBB O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1-c1ccc(OC(F)(F)F)cc1)CCS2 12140605 SMLPVRKTSXZSSK-UHFFFAOYSA-N 481.477 4.980 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686311 RMOBQWIQVZNIEU-BVGQSLNGSA-N 490.343 4.880 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409237776 LUAZBSYASSAGNH-HZHRSRAPSA-N 451.482 4.533 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2262366 AKXVBUASPDSNDS-UHFFFAOYSA-N 461.525 4.594 5 40 JJBB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 3321952 DAOPEHMXPXDRRF-UHFFFAOYSA-N 482.905 4.958 5 40 JJBB aggregator COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc2ccccc2c1Br 8833232 QUMNWJXBOGNWFS-UHFFFAOYSA-N 478.299 4.785 5 40 JJBB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8926621 USXFKICWWYCMML-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3oc(=O)sc3c2)c(C)c1 9971689 FITZBAIVNZJWBD-UHFFFAOYSA-N 498.538 4.724 5 40 JJBB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 10254338 SHVOFVBCUFNGHY-RMKNXTFCSA-N 476.514 4.863 5 40 JJBB Cc1ccc(NC(=O)COC(=O)CSC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 14197884 PZGQRJAKUKUBGW-UHFFFAOYSA-N 450.516 4.908 5 40 JJBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14291355 BMWLHSNIMCTHEQ-UHFFFAOYSA-N 476.474 4.590 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 16479890 UTOPKWXVSYHRDM-UHFFFAOYSA-N 450.926 4.823 5 40 JJBB CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1C 21907430 MNNYSACBQNODRO-UHFFFAOYSA-N 473.482 4.531 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 9186543 PKPFHGIUQUSLQN-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCCCc2ccccc2)nc1NCCCc1ccccc1 9907553 MMLAFZFEDCIZFM-UHFFFAOYSA-N 484.560 4.964 5 40 JJBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)Oc1ccccc1Cl 13870865 IFHXSYDQZZRHOK-ZDUSSCGKSA-N 461.931 4.730 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 100978731 PAKCWQZRQFKPKC-GVAUOCQISA-N 487.512 4.825 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102759800 JQULETKQGCNLTD-HKBOAZHASA-N 499.401 4.545 5 40 JJBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1 408550053 AYPDFKIFHJUSRO-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408685206 OZCOMXRRQLBKLS-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB Cc1sc2nc(-c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)nc(O)c2c1C 408991132 MXLVRTMICXMGQO-UHFFFAOYSA-N 477.531 4.716 5 40 JJBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1 409008890 OYZHZZAZNSBVDB-HMAPJEAMSA-N 458.426 4.557 5 40 JJBB CCOc1c(Br)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Br 2410067 IXENWVUGTKHZRL-DHDCSXOGSA-N 496.111 4.863 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 8445747 VKHAPAIOTDEQKW-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB COc1ccc(C)cc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9918614 NRNUXDZVJRNJKU-UHFFFAOYSA-N 465.472 4.806 5 40 JJBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11249136 ULCAIFXUKQMKBA-UHFFFAOYSA-N 470.447 4.837 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 22746304 XHFVGUNYWSJBKT-UHFFFAOYSA-N 488.491 4.604 5 40 JJBB CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 33758361 KQJHSFLYLUJMNV-UHFFFAOYSA-N 466.582 4.726 5 40 JJBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccc([N+](=O)[O-])cc1 101018421 ZMFXFOLZHYSMPM-OAQYLSRUSA-N 456.437 4.634 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223704404 NVYHXIZPMMDUTP-QHCPKHFHSA-N 471.623 4.860 5 40 JJBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1 408553940 XNKCLKLDNVRPHS-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1c(Cl)cccc1Cl 408582821 XYKHNSYQMDAPQO-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=C(N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 4017467 DHUPQXIIKIUASU-AWEZNQCLSA-N 482.176 4.661 5 40 JJBB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4198944 SLVJAHJLTWBVTK-UHFFFAOYSA-N 458.492 4.682 5 40 JJBB COc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 8711546 OHFMTZWLNYITRI-IBGZPJMESA-N 464.425 4.592 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810302 JTZRNJRURROKPO-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820567 GHLHCNTYFJXKOP-DNQXCXABSA-N 484.512 4.568 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39757384 LXBKEOOYQHOTHE-NTEUORMPSA-N 455.430 4.549 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 103590952 SUFMMOGATWGVPE-TZIWHRDSSA-N 481.295 4.684 5 40 JJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408817716 NURMAHKICMDWEF-IUXPMGMMSA-N 479.308 4.611 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1I 8834516 FJOTWUJMDRSALI-UHFFFAOYSA-N 451.245 4.575 5 40 JJBB COc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc([N+](=O)[O-])ccc4[nH]c3=O)=NN2)c(OC)c1 8925991 HZTMNPOXIJMLDR-OAQYLSRUSA-N 470.485 4.559 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(Cl)cc12 13576913 YVWKYIBSZJVZBR-NIJIEXERSA-N 467.934 4.685 5 40 JJBB CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 14137579 MTWKEQWXFGFJKR-UHFFFAOYSA-N 456.476 4.770 5 40 JJBB O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 33704233 WCXXQRNMLPSGFV-QCHRPKCSSA-N 475.457 4.761 5 40 JJBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)n1 44086077 KTJVJAFSFMFGMG-UHFFFAOYSA-N 451.533 4.943 5 40 JJBB Cc1c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 108242594 AOROLKQIOPIPKK-UHFFFAOYSA-N 465.959 4.519 5 40 JJBB CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223120996 QKQVUPYWSIHVFT-QHCPKHFHSA-N 487.622 4.596 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 408574424 QMORGIAEWQPHMC-DHZHZOJOSA-N 496.976 4.745 5 40 JJBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3O)nc2c1 8833350 KSHSVYZHLVIDQY-UHFFFAOYSA-N 492.513 4.806 5 40 JJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N1CCCC1 9129780 QETCIZJGWDLDGW-UHFFFAOYSA-N 450.442 4.667 5 40 JJBB COc1ccc(CN(c2ccccc2OC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1F 9612904 LCHMOTYWMIWGSF-UHFFFAOYSA-N 480.901 4.800 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14270357 NTFXNQAPRINMMG-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])CC1 14361484 CBKMHZXVDCEPIH-UHFFFAOYSA-N 453.539 4.924 5 40 JJBB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154383 YJIDHPXYOYDPCC-XBXARRHUSA-N 470.888 4.709 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519594 RLNBELBECOHQEU-TUGCOKMYSA-N 489.528 4.553 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610062 LYLIVININHKIKP-UHFFFAOYSA-N 485.456 4.858 5 40 JJBB C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 21736617 BOCVGZOSNGOEFG-LLVKDONJSA-N 484.266 4.715 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccccc2)C1 59489934 GRIMKADDUJTWRC-AJTFRIOCSA-N 480.609 4.601 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 102768094 FDQDELDTXWZPNF-PCCBWWKXSA-N 484.295 4.953 5 40 JJBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225335855 TVGPNINJKMDYFW-IBGZPJMESA-N 466.365 4.778 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1Cl)[C@@H]1CCCN12 408563286 AEPQMIHRTVIBJM-UQBYDPJISA-N 489.959 4.974 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409019558 ZRPBYDRQCKHNMV-UDWIEESQSA-N 479.876 4.933 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1Br 409373837 VKOLFPKXLYZYSC-LQDNNDEMSA-N 489.325 4.543 5 40 JJBB Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(-c4cccc([N+](=O)[O-])c4)nn23)cc1 2969088 NRQWZSYSBHEZEE-UHFFFAOYSA-N 484.541 4.570 5 40 JJBB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6280079 LGJWLQYWWSUMCV-UHFFFAOYSA-N 492.536 4.966 5 40 JJBB CCN(CC)S(=O)(=O)c1cc2c(SCC(=O)O)c3cc(C)cc(C)c3nc2cc1Cl 9329292 UMAMXGVBNSOMCS-UHFFFAOYSA-N 467.012 4.865 5 40 JJBB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-] 9366808 HZGUGKWZYXBLOM-UHFFFAOYSA-N 451.327 4.753 5 40 JJBB Cc1ccc(Nc2nc(COC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cs2)cc1 9868487 XGGRFWZFGURRBJ-UHFFFAOYSA-N 482.547 4.740 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224761795 WHKZRBMXHPAKFY-KRWDZBQOSA-N 457.958 4.657 5 40 JJBB O=C(Oc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 1810915 YOLMWFSVBZGFDB-UHFFFAOYSA-N 470.865 4.636 5 40 JJBB Cc1nc2c3c4c(sc3n3c(SCC(=O)Nc5cccc(Cl)c5)nnc3n2n1)CCCC4 9346062 SNDIPJNGNDFBTC-UHFFFAOYSA-N 484.010 4.558 5 40 JJBB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)n1C1CC1 9466255 XWZYBXMNHWBEDQ-AWEZNQCLSA-N 454.508 4.656 5 40 JJBB COc1ccc(-n2c(SCC(=O)c3ccc(C)c([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 9877370 GGNJKBGNKSCDQA-UHFFFAOYSA-N 461.503 4.530 5 40 JJBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 14270412 VBQBEEALTLLGCV-UHFFFAOYSA-N 451.291 4.793 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 102741937 GJVYHXULAHPFTM-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224833124 STFDORJUWPPNRB-SFHVURJKSA-N 491.610 4.516 5 40 JJBB CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3170120 VQEYYENZWRPZLK-UHFFFAOYSA-N 479.876 4.547 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 9159326 IMXSWBIGZWYZSW-QGZVFWFLSA-N 498.314 4.978 5 40 JJBB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10213528 PYILBDFRCYUHBU-SNVBAGLBSA-N 464.318 4.745 5 40 JJBB CC1(C)Cc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C(C)(C)N1 12378178 BMLOZMJCWYHZRN-UHFFFAOYSA-N 475.570 4.518 5 40 JJBB COc1ccc(Cc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1OC 19929162 CAZIVEKWHRVVHX-UHFFFAOYSA-N 499.332 4.623 5 40 JJBB O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc2ccccc2c1 102725695 HTMKSIUKRBNEIZ-ISJGIBHGSA-N 465.465 4.799 5 40 JJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1 408610633 QUBFOBIPZKZSIH-UHFFFAOYSA-N 486.322 4.996 5 40 JJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 2228791 ZHUOLXUONKWVRO-OAQYLSRUSA-N 453.410 4.901 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 8497971 ZOBDWJWOXOOQBT-ZQFKLAOWSA-N 474.900 4.741 5 40 JJBB COc1cc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8587031 FMWCTJQLIAKNIC-UHFFFAOYSA-N 462.462 4.950 5 40 JJBB aggregator COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 9722874 ZDNUBTMKRGAUCY-INIZCTEOSA-N 490.541 4.653 5 40 JJBB CC(C)(C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OC(C(F)(F)F)C(F)(F)F)n1 13894684 JCEMKWTUPFPZCF-UHFFFAOYSA-N 454.331 4.606 5 40 JJBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 20412563 VSFJTWPSJWCXPA-VQHVLOKHSA-N 491.375 4.858 5 40 JJBB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)cc1 100520108 FJOOXMFFILCEPE-RUZDIDTESA-N 485.500 4.628 5 40 JJBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8690141 PBTZDKNKXRSZPM-UHFFFAOYSA-N 450.520 4.972 5 40 JJBB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 57744452 VHTLOAHGWBUOME-CYBMUJFWSA-N 461.444 4.584 5 40 JJBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3515848 QSRIGHSHKZJNQL-UHFFFAOYSA-N 472.426 4.547 5 40 JJBB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 12365016 NPXOOCIUXUTBKR-HHHXNRCGSA-N 458.514 4.900 5 40 JJBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13562777 GOFPXQIRYWTZHO-VLVOFSMPSA-N 480.645 4.754 5 40 JJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 14831620 RAHSQTOOOKTLCT-OVCLIPMQSA-N 451.504 4.664 5 40 JJBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 20154205 RJXKNRZBEMCPJA-UHFFFAOYSA-N 451.335 4.778 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 35851808 GWWBCAZAJVPJLP-LAOBSVPGSA-N 485.565 4.722 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223980241 SRQIPYBZAVTFRJ-OAHLLOKOSA-N 478.376 4.920 5 40 JJBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833390 NEGLOKAKHROWOS-UHFFFAOYSA-N 477.908 4.880 5 40 JJBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 19856528 UTOCBYGAPFCOJK-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223772977 UMOBUZCVXAJGQZ-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225310006 KFRIFIRXNJFDQW-IBGZPJMESA-N 466.365 4.778 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)c1ccc([N+](=O)[O-])cc1 409364705 YCYWGHBCFODXKI-WSVATBPTSA-N 486.303 4.758 5 40 JJBB Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c3nc4ccccc4nc23)cc1 2211899 ZPFSUOFGZCPNTD-UHFFFAOYSA-N 493.932 4.859 5 40 JJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2431679 OWSAQYACRBXERQ-UHFFFAOYSA-N 470.485 4.685 5 40 JJBB O=C(OCc1ccccc1Br)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138263 LXIMOUDKPYNTFX-UHFFFAOYSA-N 483.230 4.834 5 40 JJBB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 9391272 XUHNYIYLBLUSDY-JOCHJYFZSA-N 466.465 4.570 5 40 JJBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12599871 XDYKQLWIVQKONS-UHFFFAOYSA-N 481.530 4.589 5 40 JJBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1 14154346 YLAPUDJEGRTBLA-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB CCOc1cc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc(OCC)c1OCC 17307152 SFRCYEOXHGEVPS-UHFFFAOYSA-N 458.496 4.562 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222566168 AGTYTJNLJDVIRE-WMZHIEFXSA-N 471.623 4.593 5 40 JJBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22567967 PKUTVBATBNWHFP-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565581 LLYVMWQYYFOCPI-FMNCTDSISA-N 481.911 4.580 5 40 JJBB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409164329 GWQPZWLSJSLADM-UHFFFAOYSA-N 463.313 4.755 5 40 JJBB Brc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)cc1 2380350 PGQVZSAJRABMIW-UHFFFAOYSA-N 471.409 4.920 5 40 JJBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)c1ccc(F)cc1 2968932 NFMOVKQSRSKYSO-UHFFFAOYSA-N 459.462 4.967 5 40 JJBB C[C@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 8685632 GMMMFKVWWVXRSJ-QGZVFWFLSA-N 492.513 4.792 5 40 JJBB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 9033850 FDZGIBMCXYYELL-WIOPSUGQSA-N 487.512 4.660 5 40 JJBB biogenic O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9427318 XRYDYBKKKRWOKG-WWPJHQMMSA-N 491.503 4.968 5 40 JJBB O=C(OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 12580814 YUNSWRPWRCTVDJ-UHFFFAOYSA-N 487.512 4.581 5 40 JJBB Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)c3ccccc3n12 14776243 NPXAZNUJHTZXTF-UHFFFAOYSA-N 472.570 4.888 5 40 JJBB O=C(c1ccccc1)c1ccc(NCc2ccc(N3CCCC[C@H]3CCO)nc2)c([N+](=O)[O-])c1 40149334 QQPXQMLEQBSWPS-QFIPXVFZSA-N 460.534 4.574 5 40 JJBB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F 48309544 PUMWNAJIRMSXGC-UHFFFAOYSA-N 470.429 4.543 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224202131 PJCCDPZYBUXMOH-RUZDIDTESA-N 493.991 4.957 5 40 JJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225548974 ZUGMSEJAFWWMNQ-RUZDIDTESA-N 491.613 4.523 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 6177106 URSUSRMYAGQZOA-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB C[C@H]1CCCN(c2cc(Nc3ccc(I)cc3)c([N+](=O)[O-])c3nonc23)C1 9009663 DNJFSOXSBUHYPS-NSHDSACASA-N 479.278 4.716 5 40 JJBB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 9962262 TTZYTZYBBRWBKQ-UHFFFAOYSA-N 464.478 4.817 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 13759647 JADYODXNLXOBCB-QHCPKHFHSA-N 474.444 4.637 5 40 JJBB Cc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 14361383 XQRAHVXXFMCBKM-UHFFFAOYSA-N 487.921 4.569 5 40 JJBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(F)cc2)no1 44087145 XTCDBOFFUNKHJZ-UHFFFAOYSA-N 453.455 4.614 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223397304 FJFDKKXUONOVLI-DNQXCXABSA-N 455.543 4.953 5 40 JJBB Cc1ccccc1CN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 408585193 CPRZHKFYUVJNHX-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)n2c(nc3ccccc32)N1 1428255 YQTRPDHGOWUUNN-QHCPKHFHSA-N 469.457 4.601 5 40 JJBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1 2195578 QJSYLGOARZGJTR-HXUWFJFHSA-N 453.546 4.805 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6280766 IQPQLSIPHVXLKX-UHFFFAOYSA-N 490.501 4.790 5 40 JJBB CCn1c(CNc2ccccc2Cl)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878545 WPUXHSRJLWLQBC-CYBMUJFWSA-N 460.947 4.591 5 40 JJBB Cc1c(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC(C)(C)C2)cccc1[N+](=O)[O-] 8443694 QJVRZRDCBHZSRU-DWXRJYCRSA-N 496.564 4.865 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225514521 AUQLKGPYJMJACC-DQEYMECFSA-N 499.552 4.861 5 40 JJBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(I)c1O 408993960 XRRKSTAYZAWWHU-UHFFFAOYSA-N 483.287 4.551 5 40 JJBB CC[C@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1 9473203 MZWVNXXWMDBYSM-IBGZPJMESA-N 485.407 4.528 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccccc2)N=C1C 248029712 LMWYGKCULRTENX-JNMKDEPVSA-N 479.496 4.510 5 40 JJBB Cc1cc(F)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408736754 GXRRNJXZDFKNGQ-QFIPXVFZSA-N 451.454 4.519 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc(F)c1 409243177 ZNSDXXNBRJRCAX-ODLFYWEKSA-N 467.434 4.669 5 40 JJBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3404383 JAPKUXKYVBKAPW-VIFPVBQESA-N 467.837 4.834 5 40 JJBB CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OCCCC 5665131 IFILWLJINXDARU-SMIHKQSGSA-N 498.532 4.572 5 40 JJBB O=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 13575566 KXZKFNWUHUIASF-UHFFFAOYSA-N 481.508 4.741 5 40 JJBB Cc1ccc(-c2csc3[nH]c(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)nc(=O)c23)cc1 15023462 QUWMNOYFZGMYRT-UHFFFAOYSA-N 466.544 4.907 5 40 JJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223879862 NNRFJQCGPCDVIX-AWEZNQCLSA-N 484.405 4.688 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc3ccccc23)cc1 408565063 BBXQOMLGFFBASJ-BPWSHVDZSA-N 479.536 4.987 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661590 RAYMEGUYZNCKGJ-AGYDLCDTSA-N 495.318 4.701 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8902056 HUVBJSMPVNGPJD-UHFFFAOYSA-N 486.484 4.663 5 40 JJBB O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9313248 USRYBOHFXGJQOI-UHFFFAOYSA-N 474.605 4.723 5 40 JJBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142667 HMACJTMBZSYZKN-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 26463675 FUKZIHRZBGOIES-PGPPMQCXSA-N 465.292 4.778 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35889779 WYCBNYHPRJBYPC-CHQSNSNVSA-N 485.565 4.722 5 40 JJBB Cc1cc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1F 102654476 LWOTUWMJFOLZPK-UFINEARASA-N 492.555 4.808 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408566081 MTJYGINMOFYIKJ-RHLLLVCUSA-N 481.911 4.626 5 40 JJBB COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3295917 MWPYMLMANNHKJR-UHFFFAOYSA-N 453.834 4.623 5 40 JJBB CCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 4017378 FOWMOMRQESHFAI-AWEZNQCLSA-N 455.795 4.664 5 40 JJBB Cc1ccc(Oc2cc(NC(=O)CCCn3nc(C)c([N+](=O)[O-])c3C)cc([N+](=O)[O-])c2)cc1 8682562 WYMOAJULZWQHEW-UHFFFAOYSA-N 453.455 4.836 5 40 JJBB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 9033852 FDZGIBMCXYYELL-DHLKQENFSA-N 487.512 4.660 5 40 JJBB biogenic Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 9087797 BYWKGOBFMDPYKH-GOSISDBHSA-N 482.246 4.510 5 40 JJBB CCc1cc2c(=O)n(Cc3ccco3)c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2s1 9127940 FEEPOWXWGHMXPO-UHFFFAOYSA-N 495.542 4.912 5 40 JJBB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9430458 GFZWBSLEKLISGO-RNODOKPDSA-N 455.507 4.805 5 40 JJBB CC(C)(C)c1ccc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 9516582 UEZCLSNOAJVASX-UHFFFAOYSA-N 476.577 4.948 5 40 JJBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1 14154019 FPJOHDAVHRCEHI-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccccc2)N=C1C 16607499 LMWYGKCULRTENX-NVCFSDIOSA-N 479.496 4.510 5 40 JJBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccc4ncccc4c3)c3nnnn3C3CCCCC3)CC2)cc1 20098388 UCBNMBXVWIHEHG-SANMLTNESA-N 498.591 4.546 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 22278250 UHOLIJLKDVUSKW-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 27019714 KLXIRKBCLOAHQU-UHFFFAOYSA-N 480.420 4.658 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224614155 KTWCBYQYVOWVOS-PKTZIBPZSA-N 457.515 4.663 5 40 JJBB COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 408568625 ICXOUHHMBPYPNK-SFHVURJKSA-N 463.357 4.765 5 40 JJBB COc1ccccc1NC(=O)CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409184115 WYFVWUHTNUMSNG-UHFFFAOYSA-N 450.447 4.858 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409213408 UKSHVFYRRUTRMX-CHHVJCJISA-N 496.726 4.686 5 40 JJBB CCc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 6150847 BXYDANWZOPBNEP-UHFFFAOYSA-N 457.534 4.519 5 40 JJBB C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 8686020 SPCHAWNOSBEXNH-AWEZNQCLSA-N 494.504 4.599 5 40 JJBB aggregator O=C1N(c2ccccc2)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1 8814514 JESHGLGVYSEIQL-DEOSSOPVSA-N 496.523 4.696 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N(C)Cc2ccccc2)nc2cc([N+](=O)[O-])ccc21 12563677 VBQLXEYGTWHADX-UHFFFAOYSA-N 462.531 4.693 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br 14271065 IKQCAZKKYURKRK-UHFFFAOYSA-N 472.748 4.845 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 14729669 AXNOTLNAXCWTIG-UHFFFAOYSA-N 475.548 4.766 5 40 JJBB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 21469398 BRFCDINLJBJPLH-UUOWRZLLSA-N 493.541 4.631 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 100889063 WMNITMGIFJDFOY-CTNGQTDRSA-N 481.295 4.684 5 40 JJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223085321 ABABBNCAZXPWMC-RUZDIDTESA-N 491.613 4.604 5 40 JJBB C/C=C1/C[N@@+]2(Cc3nc(-c4ccccc4)no3)CC[C@@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@@H]42 524729609 AIOJZLRCKQFELB-KXTXRBGRSA-O 467.549 4.977 5 40 JJBB biogenic Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 2348372 IYJIJPCFRGAHSX-UHFFFAOYSA-N 454.486 4.985 5 40 JJBB CCN1CCN(c2nn3c(=O)c4c(-c5ccc(Cl)cc5)csc4nc3c3ccccc23)CC1 8735707 UJCDXXCDPBPGSD-UHFFFAOYSA-N 476.005 4.920 5 40 JJBB CCCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc(CC)cc2c1=O 13129582 WDOYHQXOWWQCNO-UHFFFAOYSA-N 457.537 4.681 5 40 JJBB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100928749 DJUVYEUOMOBQDB-YZUKIZEGSA-N 478.504 4.920 5 40 JJBB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 101004432 MIIMRDNPAADAMH-QFIPXVFZSA-N 468.473 4.503 5 40 JJBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409010356 CIBHVQQPJAHOLN-NGZBARDMSA-N 479.514 4.586 5 40 JJBB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409027514 JNICVFHMGPJQRG-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1O 409412514 RLLFKXREXWFMBI-UHFFFAOYSA-N 468.322 4.616 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1[N+](=O)[O-] 5949418 JTNWUPYHFQERTH-UHFFFAOYSA-N 488.544 4.517 5 40 JJBB COc1ccc(Oc2ccc(/C=C/c3nc4sc(C(=O)O)c(C)c4c(=O)[nH]3)cc2[N+](=O)[O-])cc1 14022953 PWHNBJGODYKZTG-ONNFQVAWSA-N 479.470 4.871 5 40 JJBB O=C(O)/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633892 MVIIFRMSDNSPCC-MLPAPPSSSA-N 497.714 4.719 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409137409 WGPLVXNWDNWIST-XDHOZWIPSA-N 492.937 4.909 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409247959 FHCBCCUHSSIMTG-CIAFOILYSA-N 493.903 4.929 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409360779 PWLZFNLXJSYRQK-NDENLUEZSA-N 467.890 4.958 5 40 JJBB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 876198 WSSIYVQWAVFKRI-QGZVFWFLSA-N 487.969 4.725 5 40 JJBB O=C(COc1ccc(Br)cc1Br)Nc1nc2ccc([N+](=O)[O-])cc2s1 951560 SIBHUKDQXZZJPU-UHFFFAOYSA-N 487.129 4.747 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1 2302292 XFUWNNXWZRZMQI-UHFFFAOYSA-N 461.525 4.843 5 40 JJBB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3[N+](=O)[O-])c3cc(Cl)ccc32)cc1 8922791 VJQWOGSFHOFTBP-XMMPIXPASA-N 450.878 4.564 5 40 JJBB CN(C)CCCN(C(=O)CSc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 12342178 HDGSUNSXFUYZBG-UHFFFAOYSA-N 465.000 4.935 5 40 JJBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 12593372 QNKNLADAUOJLPJ-UHFFFAOYSA-N 493.873 4.576 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 16692023 LEZONUANNIOZPL-UHFFFAOYSA-N 462.487 4.929 5 40 JJBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)CC1 409340625 AAIGUSMOAKWQJY-YBFXNURJSA-N 489.937 4.803 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2247638 FIHFKFIPUQEPHI-UHFFFAOYSA-N 453.546 4.969 5 40 JJBB CC(C)c1ccc(Nc2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])cc1 13038066 RWPCUODALNUQSQ-UHFFFAOYSA-N 462.616 4.859 5 40 JJBB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13131991 VCWXXEPCEKXWRM-SANMLTNESA-N 485.496 4.694 5 40 JJBB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1 13370411 XRMGRSVYEKMYLH-UHFFFAOYSA-N 455.279 4.594 5 40 JJBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14240986 FHYSKBIQVDKNQN-LIRRHRJNSA-N 486.912 4.747 5 40 JJBB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21 33447158 IKFWPNXWDLHXNR-CJLVFECKSA-N 466.497 4.900 5 40 JJBB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 57316420 NZXNOAIAMHDOBW-UHFFFAOYSA-N 474.336 4.730 5 40 JJBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223434297 RWAYNISNVFBLRZ-RPBOFIJWSA-N 485.569 4.962 5 40 JJBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 408573382 DFWDNXHTWOPDMS-GTVROCOZSA-N 453.542 4.993 5 40 JJBB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1099241 SNARXHMCQLEWIM-UHFFFAOYSA-N 457.822 4.650 5 40 JJBB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cccc([N+](=O)[O-])c3)c3cc(Cl)ccc32)cc1 8922654 JPWTWYZYXZYXKT-DEOSSOPVSA-N 450.878 4.564 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 9158229 CIOOEDYFRDCZNM-XMMPIXPASA-N 486.480 4.506 5 40 JJBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 48340347 XPZYLFLFQDUHMP-UHFFFAOYSA-N 494.342 4.591 5 40 JJBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 408667195 VFEJILOKCBEXLF-SKGAXEKPSA-N 495.318 4.701 5 40 JJBB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1[N+](=O)[O-] 826395 ARGNWCMIKKNNJT-UHFFFAOYSA-N 470.279 4.871 5 40 JJBB O=c1[nH]c(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)nc2ccsc12 3372475 QHNIXPPRIOTPCY-UHFFFAOYSA-N 453.480 4.663 5 40 JJBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833171 OMHNUZKRJMPHCX-UHFFFAOYSA-N 473.986 4.575 5 40 JJBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)nc2c1 9064872 CTFOETVXCVIVID-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 9715997 IOSRSDLUKFKBLU-UHFFFAOYSA-N 463.471 4.676 5 40 JJBB Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 33463015 CSACYJRDJSKOEY-FYJGNVAPSA-N 497.536 4.911 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1O 100619335 CPUPBBKPKDIGSV-ILBGXUMGSA-N 481.512 4.965 5 40 JJBB C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 103949069 ZFPMVRVMAMAJJM-NZBQLKCUSA-N 476.327 4.983 5 40 JJBB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1 106728332 OVJGEJFPOMCSTB-ODLFYWEKSA-N 450.428 4.790 5 40 JJBB Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] 4090890 XFSHWLUTTWHRHF-UHFFFAOYSA-N 468.922 4.936 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c([N+](=O)[O-])c1 9141322 SOMWZDFMOGDEGL-UHFFFAOYSA-N 479.493 4.721 5 40 JJBB O=C(COc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1)N1CCCc2ccccc21 9254854 NKHTWFBHYFXVNU-UHFFFAOYSA-N 456.454 4.726 5 40 JJBB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2)ccc1Cl 9403089 OHLAGPOXWIECGV-UHFFFAOYSA-N 488.953 4.514 5 40 JJBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224542862 SCMCDXFAVUMZIU-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1 408658387 VACPOCJPCQJTLS-IBGZPJMESA-N 478.888 4.694 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409203474 YEMLFBPBXWVCGW-DEDYPNTBSA-N 470.503 4.553 5 40 JJBB CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 9288220 QLNQEFYNVAPPKE-AREMUKBSSA-N 494.555 4.582 5 40 JJBB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12311444 HCJCENRRDMOSBG-UHFFFAOYSA-N 454.376 4.746 5 40 JJBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14272279 ACDFWPZTAOAZBT-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc2c(c1)OCO2 25386834 CICSWHAYYVXSFQ-FQEVSTJZSA-N 454.822 4.514 5 40 JJBB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409122615 AGJFBOIZHPCTMP-VIZOYTHASA-N 483.285 4.602 5 40 JJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1 409156682 UAZYCRVCKVUZGR-CIAFOILYSA-N 493.497 4.847 5 40 JJBB CCc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 9508081 JXQJUCBEJXBRCD-MRXNPFEDSA-N 474.546 4.919 5 40 JJBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 14274114 HNYVKYPOLMBRDV-UHFFFAOYSA-N 475.530 4.912 5 40 JJBB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 101017437 NQPKDWVKMXHZKV-JOCHJYFZSA-N 468.473 4.503 5 40 JJBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C4CCCCC4)cc3)CC2)c([N+](=O)[O-])c1 408572090 GRZDZVFPJXUALF-UHFFFAOYSA-N 495.576 4.547 5 40 JJBB COc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1Cl 408606822 QNZQUDUUUORAHW-VMPITWQZSA-N 473.869 4.750 5 40 JJBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 408919165 UGWFJSCYEIRFMG-FGEXJBCWSA-N 458.901 4.959 5 40 JJBB Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])s2)cc1 1772165 JHTDATFAONROTF-UHFFFAOYSA-N 463.515 4.688 5 40 JJBB CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1OC 9714838 VQDPASUUVWTUCA-UHFFFAOYSA-N 498.561 4.503 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187967 UVOHSVBFRGMPAG-UHFFFAOYSA-N 451.788 4.729 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(Cl)cc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976894 FLQKERVVAFLAMX-UHFFFAOYSA-N 497.916 4.794 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223263856 SGFIMUXIYPDSIZ-HFZDXXHNSA-N 473.573 4.692 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 12494881 ALEBBVNYTHDZDP-UHFFFAOYSA-N 474.546 4.530 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 13816525 GWWBCAZAJVPJLP-AALWMKDKSA-N 485.565 4.722 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1O 100619330 CPUPBBKPKDIGSV-ZCYQVOJMSA-N 481.512 4.965 5 40 JJBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409210425 JWRUQJHZHWHBFL-CAOOACKPSA-N 464.883 4.744 5 40 JJBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cccc1[N+](=O)[O-] 8810463 BQVKVIUYBIWVSX-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1 16953552 JUKPVYUEGVPJDR-QFIPXVFZSA-N 463.515 4.812 5 40 JJBB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22753193 KZZMLGDQRKIJFJ-UHFFFAOYSA-N 494.511 4.571 5 40 JJBB CO[C@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1 40135237 SNUZIQRKAYTCFX-HSZRJFAPSA-N 455.536 4.812 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1cccc(F)c1 409246986 FNLFKOVYZZYYPM-VXLYETTFSA-N 494.460 4.596 5 40 JJBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 2429849 XJSKOCDDQIYFNU-UHFFFAOYSA-N 471.561 4.909 5 40 JJBB CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792408 PFPJUCSRWKCSRQ-UHFFFAOYSA-N 461.477 4.812 5 40 JJBB biogenic COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] 8831274 KAEZOKVPWVASNR-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC 9015686 QTRGXRJXNDGICW-NVQXNPDNSA-N 478.549 4.708 5 40 JJBB CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 9288217 QLNQEFYNVAPPKE-SANMLTNESA-N 494.555 4.582 5 40 JJBB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9463116 XWGOKBNAQIVXFQ-GFCCVEGCSA-N 466.441 4.927 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13814494 KMUSJELYDWZHEY-TUGCOKMYSA-N 489.528 4.553 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 20244225 HPIFTYQYGYICDS-RUZDIDTESA-N 461.543 4.972 5 40 JJBB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225564271 GAYCKQYOTRZJIK-OAQYLSRUSA-N 481.593 4.783 5 40 JJBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC 248131853 KMDKBKFJBUMUOR-GGLXGSTNSA-N 456.498 4.600 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 409155751 MOLMYYWBOLATED-CIAFOILYSA-N 493.497 4.847 5 40 JJBB O=C(C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 2708972 DRCMXWQKNRRROD-OAQYLSRUSA-N 459.531 4.920 5 40 JJBB COc1ccccc1-c1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1 8586854 ZWHPCXIGHBDWTC-UHFFFAOYSA-N 457.490 4.647 5 40 JJBB aggregator COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC(F)F 12751959 HXESUDVXBWEVRK-GFCCVEGCSA-N 463.462 4.834 5 40 JJBB Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cccc1[N+](=O)[O-] 14410897 PKBKMYVOWSFRKW-RUZDIDTESA-N 461.543 4.972 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16038086 CLPBGOJNBGQOBQ-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223434108 NHFIZIPEZGALEE-LOSJGSFVSA-N 485.569 4.962 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225751492 HTQWHCYTYLPBKV-WZONZLPQSA-N 487.622 4.559 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 408623621 RIVPLFWAMZGSRH-PGPPMQCXSA-N 465.292 4.778 5 40 JJBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 408660482 LTACPIYDLXCFDY-UHFFFAOYSA-N 477.473 4.596 5 40 JJBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3ncc[nH]3)cc2s1 408982173 IVINZPYEQZQJIV-UHFFFAOYSA-N 487.588 4.959 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c1)C2=O 409182041 HTRCSILQOWEAOQ-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2397239 YLIJZCOXNGKXQC-UHFFFAOYSA-N 489.535 4.682 5 40 JJBB C[C@@H](NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9064661 UFUIOEQWJIFNPA-ASXFNGKXSA-N 470.639 4.794 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)n1 9280923 YIGZXXGPSCZASC-QGZVFWFLSA-N 453.863 4.869 5 40 JJBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1 9680334 XFABIMMNQFMPBW-HXUWFJFHSA-N 480.590 4.587 5 40 JJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 12586031 PUVFDQFXIUAISZ-UHFFFAOYSA-N 460.895 4.683 5 40 JJBB O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 12976714 RSAOMLBYPHASJN-UHFFFAOYSA-N 492.753 4.905 5 40 JJBB O=C(Nc1ccc2ccccc2c1)c1ccc(NCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 40139252 ULDOHKWKDPAUJS-UHFFFAOYSA-N 475.526 4.886 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102766361 BFURDYFRTOVTEE-XPWALMASSA-N 493.903 4.698 5 40 JJBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 222715878 OVMKWEWUPJHWFU-AREMUKBSSA-N 491.563 4.689 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223481968 ZNHSWNBXQMAYGM-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225564147 VMXYVLVTTHIMCR-UHFFFAOYSA-N 467.566 4.537 5 40 JJBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 409163038 KZPPSKPDCFBLIX-UHFFFAOYSA-N 483.531 4.720 5 40 JJBB COc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 409179539 PUXLIWXMFDTSLV-UHFFFAOYSA-N 495.444 4.766 5 40 JJBB O=C(Oc1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl 1671467 JJMZAKWTRGGOSG-UHFFFAOYSA-N 470.004 4.628 5 40 JJBB O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 9013887 WVLMXBXUBXRQIE-UHFFFAOYSA-N 489.915 4.984 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 21124335 SCGSYAGRXXTKLJ-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 23157591 VRBZLRBNMFATBI-NRFANRHFSA-N 463.563 4.757 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 408623626 RIVPLFWAMZGSRH-QFKVYABISA-N 465.292 4.778 5 40 JJBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 2253202 GFDMDWLUXHUHKZ-UHFFFAOYSA-N 467.529 4.884 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1NS(=O)(=O)c1cccs1 3200372 QVLGTYPRMBAMDE-UHFFFAOYSA-N 452.901 4.755 5 40 JJBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 9711946 OYDLQRMAWKPIRM-UHFFFAOYSA-N 456.813 4.679 5 40 JJBB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 13114770 PQGQGZIGSFZWMQ-UHFFFAOYSA-N 466.548 4.553 5 40 JJBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccc(Cl)cc1 39759783 ZSNLKXDUNQZLMC-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409250567 RBLCKUDAQPPMCB-FYJGNVAPSA-N 451.504 4.671 5 40 JJBB O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 9394773 BJDUUILFFCVPRX-UHFFFAOYSA-N 474.542 4.710 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13758471 XMYGPLNWPYZVHL-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408681345 HVPFKICCUDRYQX-KMFMINBZSA-N 490.343 4.880 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684257 NDSTXVWPCQMTRZ-OALUTQOASA-N 488.327 4.800 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409231768 MDGMKYJSZQBQSI-LPYMAVHISA-N 473.485 4.584 5 40 JJBB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 3337036 DUUDXEUTOGSLIB-UHFFFAOYSA-N 487.468 4.680 5 40 JJBB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 4090979 ZQOCAPNGWHYHOJ-OUKQBFOZSA-N 460.515 4.682 5 40 JJBB COC(=O)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 9612901 CZRKRZOFBGYWSV-UHFFFAOYSA-N 485.301 4.677 5 40 JJBB COc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12517401 HEULVIWUKAKQCC-CQSZACIVSA-N 451.445 4.716 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1 13513518 CJNZCBZZPHBHJA-DSNGMDLFSA-N 481.464 4.906 5 40 JJBB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 14277375 CQALJOJPRFPZHI-UHFFFAOYSA-N 493.391 4.620 5 40 JJBB COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 408565692 CTXIAFXNGBUKGK-GOSISDBHSA-N 463.357 4.765 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092555 YLAHARPFSUADOY-QHCPKHFHSA-N 493.581 4.862 5 40 JJBB biogenic Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746378 XXLAQTHWGZUYKE-HSZRJFAPSA-N 454.442 4.741 5 40 JJBB Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)c1C 2959562 JUUPQGJARQUNHA-UHFFFAOYSA-N 467.598 4.904 5 40 JJBB Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccc([N+](=O)[O-])cc3)n2n1 2969643 IMTWETYZYFHSJM-UHFFFAOYSA-N 459.535 4.603 5 40 JJBB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 3319604 WCVHWYGPTUMUEY-NWDGAFQWSA-N 494.953 4.795 5 40 JJBB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 9013667 PBULHMMPLGAGRI-LJQANCHMSA-N 451.822 4.709 5 40 JJBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)cc1[N+](=O)[O-] 9138910 YYIBYISEWYIADX-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 12588687 PGAMUHDCNQXMGX-UHFFFAOYSA-N 490.541 4.732 5 40 JJBB CC(=O)O/N=C(/C)[C@H]1[C@H](C[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13362178 YLMHXCVWMFRELH-FEQUQBKYSA-N 474.598 4.939 5 40 JJBB biogenic Cc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1 16956927 LVGUGHMMFOGLPS-NVQXNPDNSA-N 470.485 4.747 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 224026255 YJBXQHFWLBWZNV-DNQXCXABSA-N 485.525 4.686 5 40 JJBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(OC)cc(OC)c1 408674850 JVQUDDPOUNDMIG-UHFFFAOYSA-N 462.915 4.519 5 40 JJBB Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 409130984 MLCPZNQPRJLBMZ-UHFFFAOYSA-N 471.848 4.793 5 40 JJBB CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 1905816 YVCDCXUEPGGYPN-VXKWHMMOSA-N 495.488 4.655 5 40 JJBB CCCCOC(=O)c1c2nc3c(C(=O)OCCCC)ccc(C)c3oc-2c(C)c(=O)c1NC(C)=O 4974693 KZAJHKQPWNTRHX-UHFFFAOYSA-N 482.533 4.782 5 40 JJBB Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 8884096 PTDUEEAGYZZMNH-UHFFFAOYSA-N 471.535 4.524 5 40 JJBB COc1cc(C(=O)OCC(=O)Nc2cccnc2Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9126427 KSSAFMOQRHHZKU-UHFFFAOYSA-N 492.271 4.893 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14404840 NNMCQEBJUZUERX-UHFFFAOYSA-N 455.474 4.902 5 40 JJBB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2093357 RXJCBCVXFFUMIL-HSZRJFAPSA-N 475.497 4.955 5 40 JJBB biogenic O=C(O)c1cc(Br)ccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 2196450 ITNAPUHZUNYROU-UHFFFAOYSA-N 483.230 4.648 5 40 JJBB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284449 AUWILWIKVCPLAV-GFCCVEGCSA-N 496.829 4.945 5 40 JJBB CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9317630 XGQMXOYHSGJTLC-ABVOBTCJSA-N 454.615 4.916 5 40 JJBB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 12365015 NPXOOCIUXUTBKR-MHZLTWQESA-N 458.514 4.900 5 40 JJBB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 1900826 WSAWBPJTBPEGHV-KRWDZBQOSA-N 468.878 4.518 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 3275575 WDDJLUFREPVTGW-UHFFFAOYSA-N 460.895 4.684 5 40 JJBB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 3326397 YYLCMNCLMWKZKM-HXUWFJFHSA-N 470.934 4.914 5 40 JJBB O=[N+]([O-])c1ccc(N(CCO)C(=S)Nc2ccccc2)c(NC(=S)Nc2ccccc2)c1 16489995 WBLVDJSYMSUWJK-UHFFFAOYSA-N 467.576 4.599 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 101205777 XFPFRSWGFYOUEZ-BDTNDASRSA-N 463.877 4.608 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225514552 AUQLKGPYJMJACC-RPBOFIJWSA-N 499.552 4.861 5 40 JJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 1165606 LJRSIHJVLQJPMD-WOJGMQOQSA-N 453.838 4.610 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 8686214 MCIRLFAXLUNNCG-HACGYAERSA-N 463.581 4.609 5 40 JJBB Cc1cc(C(=O)COC(=O)[C@@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1nccs1 13017578 GYROREHKNCDHSJ-GFCCVEGCSA-N 496.467 4.704 5 40 JJBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 15422523 ACCZNGYRWLRFDF-UHFFFAOYSA-N 475.910 4.700 5 40 JJBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1 19929218 BVFAKZSPRMYXOQ-UHFFFAOYSA-N 482.305 4.641 5 40 JJBB O=c1n(Cc2ccc(F)cc2)c2cc(N3CCCC3)c([N+](=O)[O-])cc2n1Cc1ccc(F)cc1 20059015 SRWJLQJEESEXNJ-UHFFFAOYSA-N 464.472 4.686 5 40 JJBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12)c1ccc([N+](=O)[O-])cc1 59417256 ISZNCIOOWZLRIB-UHFFFAOYSA-N 457.398 4.758 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566158 NHLBAOJETZZZMU-HGMMTPDKSA-N 481.911 4.580 5 40 JJBB Cn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 409122653 AQIQAUVQQBRRPK-UHFFFAOYSA-N 482.747 4.537 5 40 JJBB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409187724 AYNYLLXLQJEPFC-SDFSPDLMSA-N 470.437 4.567 5 40 JJBB O=C(CSc1nc2ccccc2s1)c1ccc(I)c([N+](=O)[O-])c1 973157 FGOAUZKPIDRECH-UHFFFAOYSA-N 456.286 4.784 5 40 JJBB biogenic Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 8846141 DMTMGXOOWGJKJC-FQEVSTJZSA-N 492.285 4.917 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1S(=O)(=O)c1ccccc1 8884100 BTGYVIMRTZDWCV-UHFFFAOYSA-N 497.916 4.794 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 14155436 SJYNHJHTBQYDBT-UHFFFAOYSA-N 489.937 4.927 5 40 JJBB CC(=O)c1ccc(SCCOCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16321917 IYHZYHQKSHABNA-UHFFFAOYSA-N 464.521 4.809 5 40 JJBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20212998 JOJUORYAXZFDNV-QFIPXVFZSA-N 474.498 4.973 5 40 JJBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 224578462 ZYLSVSMLNBVQHW-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2)cc1 408568280 SWZFHOQVBVDZBF-WLBXEJSFSA-N 469.541 4.629 5 40 JJBB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 1313046 UAUAIMRBCMZZSJ-UHFFFAOYSA-N 452.458 4.649 5 40 JJBB Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)c1 9062461 GANKTRHBJPVETD-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] 14270505 BAXLTMNJMZPZRQ-UHFFFAOYSA-N 462.556 4.984 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc2cc(Br)cc(Br)c2o1 15906455 DPLLQWDTFJSYHT-UHFFFAOYSA-N 456.046 4.824 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cccc1[N+](=O)[O-] 21576164 ILJSUJZVUPQMMD-UHFFFAOYSA-N 484.512 4.864 5 40 JJBB O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 199421328 GTIWILIBARNYJM-UHFFFAOYSA-N 474.904 4.623 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223145737 PRRBSHISCXKOGD-QGZVFWFLSA-N 478.014 4.815 5 40 JJBB O=c1c2ccccc2oc2nc(-c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c12 2202994 FTCUXHCQLIJAEH-UHFFFAOYSA-N 459.299 4.981 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 16692003 VPBKIVRFYIOYPS-UHFFFAOYSA-N 492.513 4.937 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102765141 JUJYJBMCGMULIJ-BHIFYINESA-N 463.877 4.608 5 40 JJBB CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 409144974 PRZILQBNRUVNDU-UHFFFAOYSA-N 490.383 4.983 5 40 JJBB COc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(OC)cc3)c2Br)cc1 2733537 FQFHMEJZUGTEPE-UHFFFAOYSA-N 484.310 4.607 5 40 JJBB CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 2805680 WVXSZQZGSZDPSH-UHFFFAOYSA-N 468.481 4.536 5 40 JJBB CCOc1cc(=O)cc2n(-c3cc(OCC)c(OC(C)=O)c(OCC)c3)c3ccccc3nc1-2 5389822 GHDZLEWVMCONSJ-UHFFFAOYSA-N 462.502 4.612 5 40 JJBB CCC(=O)Oc1cn(CCc2ccc(OC)c(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 8871210 NYUWRBISWGUHFO-UHFFFAOYSA-N 472.545 4.975 5 40 JJBB COCCn1c(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 9317298 ASJPIKFWLUAJEV-UHFFFAOYSA-N 475.958 4.501 5 40 JJBB O=C(Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2)c1ccc([N+](=O)[O-])cc1 9425689 UZPLRSNAASBGMC-UHFFFAOYSA-N 483.274 4.612 5 40 JJBB COc1ccc(NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c([N+](=O)[O-])c1 12571516 UBQQMBVWJRMILM-UHFFFAOYSA-N 479.514 4.778 5 40 JJBB O=C(NCCSCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32802018 IJTJCVYJHXLJER-UHFFFAOYSA-N 486.491 4.518 5 40 JJBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223242410 SSVOVBVRDWNCTE-LJQANCHMSA-N 484.405 4.688 5 40 JJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223320536 JRAOUFLSBGAJNI-DEOSSOPVSA-N 479.964 4.567 5 40 JJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1cccc2ccccc12 876194 BEZRAEWKXFXHRN-HXUWFJFHSA-N 489.557 4.916 5 40 JJBB COc1ccccc1NC(=S)N[C@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 3212765 LNALKZXMONTYPK-CQSZACIVSA-N 481.814 4.883 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 9307601 DDQWRVUFIHYGNV-GVAUOCQISA-N 487.512 4.825 5 40 JJBB C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111834 GLANWWBUQAZCRJ-LJQANCHMSA-N 495.601 4.965 5 40 JJBB COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])cc1OC 12441961 JOSMUDCGQBMPCG-UHFFFAOYSA-N 479.518 4.790 5 40 JJBB CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 13689749 RKCPGGHAUZDUES-UAFMIMERSA-N 456.340 4.566 5 40 JJBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16384499 GYDVQTOLBDQBOQ-UHFFFAOYSA-N 472.876 4.994 5 40 JJBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1C 32116464 CCBOGGFHASVQLH-UHFFFAOYSA-N 476.514 4.912 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 43572276 JBMAJIRBABAZQR-UQWVPHONSA-N 495.557 4.614 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101143947 PNRAUUFHWKLZIG-HBMCJLEFSA-N 484.295 4.953 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 9059417 LWOFSIVECVEFJA-OAHLLOKOSA-N 479.518 4.628 5 40 JJBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c(Cl)cc12 9874269 MMFJZUXOGGOKHY-UHFFFAOYSA-N 478.910 4.630 5 40 JJBB COc1cc(NC(=O)COC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c(C)cc1[N+](=O)[O-] 104599220 MIWYFSOHDNKCEJ-BXWMAURHSA-N 478.545 4.932 5 40 JJBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224542975 SCBALUMRGIJNRM-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB O=C1N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1 408933674 JWYQBKILNNABTL-ODLFYWEKSA-N 450.838 4.528 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409161150 YWBKBMHYXSIQLM-NVNXTCNLSA-N 452.275 4.577 5 40 JJBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 3411811 REYZBXUFYPUFNB-QMMMGPOBSA-N 477.684 4.756 5 40 JJBB CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCCCC 5665132 IFILWLJINXDARU-VXNXHJTFSA-N 498.532 4.572 5 40 JJBB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 13424176 LMQHVEXYPRMMIL-UHFFFAOYSA-N 459.531 4.556 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)cc1 19856292 QQQFWSWFTLMNFX-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1 21124560 USKNNTRRKDDWNE-UHFFFAOYSA-N 472.545 4.680 5 40 JJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786924 RPUUDLSJZVQPKU-UHFFFAOYSA-N 460.895 4.656 5 40 JJBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc1)=NCC2 35623007 GGMGQNYTAGSCMH-UHFFFAOYSA-N 460.490 4.844 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225529148 VPOBLCZBPFDXRQ-CVDCTZTESA-N 471.623 4.859 5 40 JJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408831463 ZQONPCSQZACOHT-SXGWCWSVSA-N 479.308 4.611 5 40 JJBB Cn1c(=O)c2c(-c3c4ccccc4cc4ccccc34)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 408979775 CVZQJLILRFIAPK-HHHXNRCGSA-N 471.516 4.668 5 40 JJBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(c2ccccc2F)CC1 8792389 NURDNHOTKFMWPO-UHFFFAOYSA-N 476.511 4.693 5 40 JJBB biogenic O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833385 HGFCOSCNKWZLBC-UHFFFAOYSA-N 477.908 4.880 5 40 JJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1Br 9358000 HSXWKGSYOKVLQO-UHFFFAOYSA-N 493.364 4.616 5 40 JJBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 27020157 QVMDZUOSGDHACG-HXUWFJFHSA-N 498.417 4.610 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102766972 AWEMUSNXCYCNEW-NJYVYQBISA-N 483.402 4.665 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409347967 PFIPPXAJIRUIFJ-JAIQZWGSSA-N 452.419 4.913 5 40 JJBB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 409364603 YOWHRRVFBMDZRV-CIAFOILYSA-N 492.465 4.561 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1Br 907402 DRUGSASWSCOTPZ-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)n1 1637100 JZORTXZNIMHWFA-UHFFFAOYSA-N 482.547 4.670 5 40 JJBB Cc1ccc(C2=N/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-] 8434996 QZTYYNWEVZOKJG-VCHYOVAHSA-N 490.384 4.856 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289009 VZKNFMORHXLKBU-DHIUTWEWSA-N 455.474 4.576 5 40 JJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 96305931 AIFSXJLGFVXCMO-UHFFFAOYSA-N 469.519 4.547 5 40 JJBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408662351 XXHOLQWAEHFDMO-LJQANCHMSA-N 491.887 4.563 5 40 JJBB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 409169021 OXFOGYWGMLVXSZ-UHFFFAOYSA-N 463.313 4.755 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(Cc4cccs4)n3Cc3ccco3)c1)OCOC2 2656964 JIOIBDWDFWRSMN-UHFFFAOYSA-N 470.532 4.639 5 40 JJBB Cc1c(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cccc1[N+](=O)[O-] 4090879 ZAPPKWYLYAOBPD-UHFFFAOYSA-N 467.894 4.887 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 9072499 DXESFSHJJLWBDI-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB CCOc1ccc(-c2nc(COc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])cs2)cc1 9283227 YAPLAPFOPBGOAT-UHFFFAOYSA-N 491.591 4.727 5 40 JJBB CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1 12659313 QRXIRYSJINMMHC-UHFFFAOYSA-N 483.546 4.688 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 12975327 YNWMBRGIBOSNFH-AREMUKBSSA-N 461.518 4.507 5 40 JJBB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13131989 VCWXXEPCEKXWRM-AREMUKBSSA-N 485.496 4.694 5 40 JJBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 21578223 JEJXERLKBAEBJZ-UHFFFAOYSA-N 465.337 4.603 5 40 JJBB COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 22563818 ILELNBRXJPCCLX-UHFFFAOYSA-N 457.320 4.647 5 40 JJBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)ccc2OCc2ccccc2Cl)nc1O 409346380 KCSUXBJGECSTLO-YVMONPNESA-N 478.686 4.961 5 40 JJBB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 3431835 MGWHRPGDQGWPBW-VAWYXSNFSA-N 493.907 4.916 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl 4558646 KFQQBSCPTZKXGH-OAHLLOKOSA-N 491.784 4.812 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 8497974 ZOBDWJWOXOOQBT-QQNJPBSNSA-N 474.900 4.741 5 40 JJBB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9613104 MKQJGHMCIUSPRS-UHFFFAOYSA-N 476.514 4.517 5 40 JJBB O=C(OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccccc1[N+](=O)[O-] 12580914 YKTYTTQLJWMVLF-UHFFFAOYSA-N 487.512 4.581 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(OC)cc2)c1C 20395826 HXQIOOHPYHYEKD-UHFFFAOYSA-N 483.502 4.573 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100548526 QKCDBPJBTQIQFW-WTVOAAGRSA-N 490.941 4.546 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224026180 LLSOZVXTTZDPRZ-ZEQRLZLVSA-N 485.525 4.686 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409155048 LHDNKXBLTBFYHZ-UNOMPAQXSA-N 482.905 4.714 5 40 JJBB C[C@@H](NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)OCO2 8760840 DIYYKCNKECQKIR-OAHLLOKOSA-N 456.527 4.734 5 40 JJBB COc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 9884215 NJAJOYNWEVNVMK-UHFFFAOYSA-N 462.222 4.744 5 40 JJBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)CC1 10010485 QRYWJQLONCZTDR-UHFFFAOYSA-N 482.924 4.737 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(Sc3nc(-c4ccccc4)n[nH]3)c([N+](=O)[O-])c2)c(C)c1 12507842 LSIBCBKWDBRYCP-UHFFFAOYSA-N 481.559 4.949 5 40 JJBB O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCN(c2ccccc2)CC1 12849524 IWTUAFQPPDXCMV-MDZDMXLPSA-N 474.473 4.657 5 40 JJBB Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992543 IQZNUFYFGDBEIS-UHFFFAOYSA-N 481.965 4.895 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223478474 UETXZHPFEQSRNL-RPWUZVMVSA-N 487.541 4.826 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl 408964607 DUPBRNAODYJFBU-HSWYMVSQSA-N 471.900 4.616 5 40 JJBB CCOC(=O)c1c(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)sc(CC)c1C 32957515 RPBPXAORTCKAPE-UHFFFAOYSA-N 464.543 4.808 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 35851598 JBMAJIRBABAZQR-ZGDJDIHISA-N 495.557 4.614 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6878383 KCWXZBDVOJYWCO-UHFFFAOYSA-N 460.947 4.511 5 40 JJBB COc1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9439993 CBHIRQUNPHKYGF-UHFFFAOYSA-N 453.838 4.648 5 40 JJBB Cc1c(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 19856791 YIIFXVWHQVAZLC-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)c1 23553323 FNUFCROZCPQURH-UHFFFAOYSA-N 466.548 4.553 5 40 JJBB Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c(C)c1 8685156 PKYOKWSTIYSJTO-UHFFFAOYSA-N 452.536 4.732 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3)nc2N1 17243266 RBRIRVBYUKQEGC-JOCHJYFZSA-N 499.556 4.801 5 40 JJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671731 WOBOWJJWVAZSTO-UHFFFAOYSA-N 474.498 4.988 5 40 JJBB CC[C@@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223120934 QKQVUPYWSIHVFT-HSZRJFAPSA-N 487.622 4.596 5 40 JJBB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 2403695 XTFAWEHQVBNDKT-KRWDZBQOSA-N 468.878 4.518 5 40 JJBB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 3319606 WCVHWYGPTUMUEY-VXGBXAGGSA-N 494.953 4.795 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 6194265 ZSYWEWQHZXWUGE-UHFFFAOYSA-N 489.557 4.814 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 8923733 SOVJSPHAABTQOD-QHCPKHFHSA-N 471.296 4.909 5 40 JJBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(SCCO)ccc1[N+](=O)[O-] 9971855 PYWGEOOZBNJCJC-UHFFFAOYSA-N 453.907 4.699 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14270367 UUOJZQNPPFHMGW-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 408977764 YANZSIVTNNUMHC-INIZCTEOSA-N 460.607 4.542 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccccc1 409225403 QGWZFTYSLYISLO-NDENLUEZSA-N 461.455 4.701 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1Cc1ccccc1Cl 2256691 DASMCJVJTQLEHJ-UHFFFAOYSA-N 495.926 4.757 5 40 JJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 2685918 HTVYDZWYXUWSJY-QFIPXVFZSA-N 498.308 4.989 5 40 JJBB Cc1c(N(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] 224861604 WTMUDXRTNAYPDL-UHFFFAOYSA-N 481.530 4.988 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225460141 RVMKGBHLGOBROV-AVRDEDQJSA-N 457.596 4.550 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 247860881 GCOCJEDTOZNSAO-BKKFENPESA-N 493.519 4.610 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409179759 UUTARQBRIMBJPV-VWLOTQADSA-N 491.456 4.698 5 40 JJBB COc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 27019767 HVUXMCPIHFKIPS-UHFFFAOYSA-N 481.313 4.946 5 40 JJBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225138841 GGIKYDXGQCFZPV-KRWDZBQOSA-N 478.014 4.815 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408681347 HVPFKICCUDRYQX-UKPHBRMFSA-N 490.343 4.880 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683308 LCSUBGVNYBKRAK-ZNOIYHFQSA-N 490.343 4.880 5 40 JJBB CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(-c3ccc([N+](=O)[O-])cc3)c1C)C2=O 408973813 BXRIEUITUGRPAU-UHFFFAOYSA-N 454.442 4.554 5 40 JJBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 409210311 JYXLFDGVEMXZOA-APSNUPSMSA-N 466.302 4.885 5 40 JJBB COC1CCC(Cc2cccc(-c3ccccc3[N+](=O)[O-])c2)(C(=O)NC2CCN(C)CC2)CC1 643550856 PSIZXCJSEPZENM-UHFFFAOYSA-N 465.594 4.590 5 40 JJBB Cc1cccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 793873 KZUZMYJWAQMVFG-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 8686217 MCIRLFAXLUNNCG-IFIJOSMWSA-N 463.581 4.609 5 40 JJBB CCOc1ccc(-c2csc(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)n(C)n3)n2)cc1 35683050 XQHQRSFUKOGRML-UHFFFAOYSA-N 463.519 4.699 5 40 JJBB COc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4c(OC)cccc4[C@H]3C2)cc1OC 36099485 MAELGRJYCNVOHT-NLFFAJNJSA-N 461.474 4.863 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1O 100619331 CPUPBBKPKDIGSV-UKILVPOCSA-N 481.512 4.965 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225751521 HTQWHCYTYLPBKV-FDDCHVKYSA-N 487.622 4.559 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408689526 YKXPUWLBVVWSKN-YXKFXFPPSA-N 488.327 4.656 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 409177103 ARHYCBXBCDFPAE-ISQHLFTMSA-N 493.288 4.637 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409389394 QGEQISJZMRAEHE-UHFFFAOYSA-N 491.928 4.525 5 40 JJBB Cc1nc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1I 10035117 QHGGTGSADUWXHF-YRNVUSSQSA-N 475.242 4.815 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl 13857294 DBRAKYSZZOOMOC-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3)nc2N1 17243270 RBRIRVBYUKQEGC-QFIPXVFZSA-N 499.556 4.801 5 40 JJBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72328742 DXAAXHBKPUYMGK-UHFFFAOYSA-N 467.529 4.532 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 9373087 MXLYOJBFGQUKDQ-UHFFFAOYSA-N 490.541 4.650 5 40 JJBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2[nH]c3ccccc3c2C1 9901747 UGYJHJATHZCKDA-UHFFFAOYSA-N 472.467 4.896 5 40 JJBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cs1 10086003 LIRILMFJESJYBE-VQHVLOKHSA-N 471.922 4.951 5 40 JJBB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 14183328 RMNWGTAMDKEILS-FQEVSTJZSA-N 487.484 4.540 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 14208070 XSPBTNQMVZEAIY-UHFFFAOYSA-N 481.474 4.649 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 16692053 AHJICKPJQDYBIU-UHFFFAOYSA-N 462.487 4.929 5 40 JJBB CO[C@@H](CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1 40135236 SNUZIQRKAYTCFX-QHCPKHFHSA-N 455.536 4.812 5 40 JJBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8832135 CENHGCFYZVHEKQ-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc([N+](=O)[O-])c1 14270558 KKZTYABHOZLCLC-UHFFFAOYSA-N 451.895 4.918 5 40 JJBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 16450654 SXQYYOVKEDHQAN-UHFFFAOYSA-N 456.374 4.937 5 40 JJBB CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC 32114903 SVTXIAQIQREBJZ-UHFFFAOYSA-N 450.289 4.747 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 409209115 FXAHHWBQXVUZKK-APSNUPSMSA-N 482.301 4.585 5 40 JJBB CCOc1cc(/C=C/c2ncc([N+](=O)[O-])n2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 9467800 KIEKWWKNSIFMHE-CSKARUKUSA-N 490.438 4.934 5 40 JJBB Nc1nc(=O)n(CCCSc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(Cl)c(Cl)c1 17039640 LMVFNWBJNOWIGW-UHFFFAOYSA-N 451.335 4.890 5 40 JJBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3nc4ccccc4n3C(F)F)c([N+](=O)[O-])c2)C1 103910950 PDDDBCWLXUFQFZ-LSDHHAIUSA-N 493.536 4.933 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225800976 JLIHCLOWJBWWJR-UHFFFAOYSA-N 489.962 4.782 5 40 JJBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1 1395401 YXPZTMGBVSRLRH-UHFFFAOYSA-N 480.468 4.572 5 40 JJBB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 9456787 NBENICRVKZFFOO-QHCPKHFHSA-N 479.554 4.697 5 40 JJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(I)ccc3Cl)nc12 10010554 BLBBXWLNADCCGK-UHFFFAOYSA-N 489.678 4.723 5 40 JJBB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 12616848 KPCZHHYFGNCPCR-UHFFFAOYSA-N 469.291 4.744 5 40 JJBB COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142618 USIUYYCHQWUUGL-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20213002 JOJUORYAXZFDNV-JOCHJYFZSA-N 474.498 4.973 5 40 JJBB CCCOc1c(I)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408558280 QWLJXTZKRGXJQV-UHFFFAOYSA-N 456.280 4.999 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 409156176 SVKCSDMWDADNLF-UDWIEESQSA-N 463.471 4.838 5 40 JJBB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8826293 ZITJNQXGCPSBKO-UHFFFAOYSA-N 461.400 4.519 5 40 JJBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16450620 XIIDOTWCVBNORA-UHFFFAOYSA-N 490.394 4.744 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 32125036 YTZKZBQXMWIBRT-YVLHZVERSA-N 450.925 4.569 5 40 JJBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224828396 FZQDLHGDNVHPDJ-UHFFFAOYSA-N 497.573 4.683 5 40 JJBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409129257 GBSPNYGMGWRRFE-UHFFFAOYSA-N 466.548 4.728 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409234223 JFFXBXSKBHLTNF-OEAKJJBVSA-N 487.512 4.974 5 40 JJBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205701745 HVZFYZAKACOULI-YBFXNURJSA-N 451.416 5.000 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 6194296 WLXAWAVZGHNGBF-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)n2)cc1 8586916 RBJQBYHCJWMSBK-UHFFFAOYSA-N 457.490 4.647 5 40 JJBB COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 9391271 XUHNYIYLBLUSDY-QFIPXVFZSA-N 466.465 4.570 5 40 JJBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(C)n1C[C@H]1CCCO1 25422341 VIYGTMJFEIDUNT-JOCHJYFZSA-N 491.544 4.844 5 40 JJBB C[C@@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 976356 VKSFZWGWMVEQCY-QGZVFWFLSA-N 475.530 4.874 5 40 JJBB Cc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2C(=O)C2CCCCC2)cc1[N+](=O)[O-] 8435614 PWCSMRZGBBEIDX-UHFFFAOYSA-N 480.550 4.508 5 40 JJBB CCOc1cc(CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)ccc1OC(F)F 8726547 BTXBRJXAJIENQH-UHFFFAOYSA-N 469.872 4.851 5 40 JJBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC 9008907 KMDKBKFJBUMUOR-WSZJRCBQSA-N 456.498 4.600 5 40 JJBB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 13096570 NSEATDMQOORHQX-UHFFFAOYSA-N 465.940 4.912 5 40 JJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1cc2ccccc2oc1=O 22742887 NCEJSAZOOGGAAF-UHFFFAOYSA-N 485.496 4.766 5 40 JJBB Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3Sc4ccc([N+](=O)[O-])cc4[C@H]2N3C)cc1 100064895 MACLCUAUEDKUJH-FCHUYYIVSA-N 453.545 4.847 5 40 JJBB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225563934 XKNBKOCBKDWZNH-SFTDATJTSA-N 481.593 4.638 5 40 JJBB COCCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2ccc(O)cc12 8783621 QROUXKTXCYBOMI-UHFFFAOYSA-N 461.902 4.522 5 40 JJBB biogenic,in-vitro O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8835415 PQLXKUUCHUNUNR-UHFFFAOYSA-N 475.983 4.975 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Cl 9064937 YWOPZEPMNGYJCJ-UHFFFAOYSA-N 458.721 4.536 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C)CC2 12921488 RIQZWXISVVZVKL-VWLOTQADSA-N 481.574 4.877 5 40 JJBB Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 25445379 AZOFHFJZGOORJF-JTQLQIEISA-N 499.467 4.824 5 40 JJBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106719528 ZMGDHAILXHRILF-BNCCVWRVSA-N 453.259 4.867 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223516363 SOLCQEIMPBLNPH-ZEQRLZLVSA-N 487.541 4.826 5 40 JJBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796831 HPDLYYRZULSHCU-AREMUKBSSA-N 473.573 4.610 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2293138 SVXFYYZTULTJFY-UHFFFAOYSA-N 461.525 4.903 5 40 JJBB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 9539609 DLQKXEUUYYXYMI-AWNIVKPZSA-N 487.921 4.710 5 40 JJBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 22854776 PWDZXEJUNFYDIV-FQEVSTJZSA-N 498.996 4.532 5 40 JJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1OC 36874862 XUOWNCSTUZFRGQ-UHFFFAOYSA-N 465.293 4.806 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCCCC1 106758093 QPNVVAGYTNDZRO-WQRHYEAKSA-N 475.910 4.557 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408684555 NSWBMKOMGWQMOS-WMZOPIPTSA-N 488.327 4.800 5 40 JJBB Cc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 408781673 FAABTTYMQAKPPT-RISWYLRJSA-N 479.561 4.535 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)o1 409160086 SNGYVFJRALOZAB-CIAFOILYSA-N 493.497 4.847 5 40 JJBB COc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409194622 PUYQNZZHAPVKFX-VCQCOGNXSA-N 470.437 4.567 5 40 JJBB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2095401 GPDYOIJWNAQGLJ-JOCHJYFZSA-N 475.497 4.874 5 40 JJBB biogenic Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)n1 3314671 NLPYGDMYASLSAO-LJQANCHMSA-N 483.571 4.862 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 8836723 VKSRDTJRSHXIAK-UHFFFAOYSA-N 475.552 4.902 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cc(C)ccc2C)c1C 13388379 MMWOTMDHURCHRI-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 20528523 KNVAUXQRUVGAMI-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 101342829 WMNITMGIFJDFOY-FPOVZHCZSA-N 481.295 4.684 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225316005 QEIQSSIFWGGMKS-LSDHHAIUSA-N 466.365 4.776 5 40 JJBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408748462 AONJQMZIIQTQDB-AFHBHXEDSA-N 463.540 4.808 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 409309364 GAWYDPOQFBEDDR-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB C[C@@H](NC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)c1ccccc1 845325 NJYPJCHUAJIDSN-CYBMUJFWSA-N 455.396 4.814 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccco4)n3Cc3ccccc3)c1)OCOC2 2664583 NVEOAPSMGDOFQL-UHFFFAOYSA-N 450.476 4.653 5 40 JJBB COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c2ccccc12 10903109 QYASXQRUPWPUEJ-KRWDZBQOSA-N 495.963 4.921 5 40 JJBB Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33659569 IKCZCWMBATUFNF-UHFFFAOYSA-N 495.601 4.967 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 408608494 WVUADKDTNXZBDR-UXBLZVDNSA-N 482.449 4.694 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C(=C/c1cccs1)c1cccs1 12624574 CGPMULJGBYALTD-MLDYKZIASA-N 458.517 4.837 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2cccc(Cl)c2)cc1 108066643 GFPJIEIYOXWYHF-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225263834 AZLYOBUBHHFQFU-SANMLTNESA-N 473.573 4.694 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1C1CCCC1 2249380 KHVCKRSWWWLOQU-UHFFFAOYSA-N 460.881 4.960 5 40 JJBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6245437 ILUKWLUTSOPJHK-UHFFFAOYSA-N 474.546 4.827 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 8832722 WUMWPFRIBWDRRP-UHFFFAOYSA-N 489.384 4.892 5 40 JJBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 9562133 AGPVXNBYLVRICA-HSZRJFAPSA-N 495.285 4.761 5 40 JJBB CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 17306585 YKCYZRUKSPUOBX-UHFFFAOYSA-N 450.476 4.708 5 40 JJBB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26297062 PDTDJKOBPLLHHF-TZMCWYRMSA-N 468.398 4.566 5 40 JJBB COc1cc(C(=O)Nc2ccccc2SCC(N)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 69885961 LVNFYPJMLMPZLE-UHFFFAOYSA-N 487.921 4.879 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225519658 VEGBZWJTCVBRSJ-RPBOFIJWSA-N 499.552 4.861 5 40 JJBB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 1884575 LOESIGZUODTJDJ-HXUWFJFHSA-N 456.882 4.715 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-] 3143063 KWKVDGGBIREVQT-UHFFFAOYSA-N 493.560 4.939 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 8743293 VNXNXPWXWMFJCI-UHFFFAOYSA-N 482.084 4.787 5 40 JJBB CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9317641 XGQMXOYHSGJTLC-DKERFCRFSA-N 454.615 4.916 5 40 JJBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1 408922439 AUFGTWNSAIOBME-UHFFFAOYSA-N 471.560 4.576 5 40 JJBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 409002031 SBSKDGLVZBPQGR-UHFFFAOYSA-N 495.447 4.872 5 40 JJBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccccc1)CC2 2980101 XECHHEJIPKHIBE-JOCHJYFZSA-N 463.490 4.822 5 40 JJBB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 10220626 COWUMEIZERCFBU-UHFFFAOYSA-N 486.575 4.534 5 40 JJBB CN(C)C(C)(C)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 48289494 UCWKUMINFNOTIF-UHFFFAOYSA-N 478.373 4.572 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccccc1 102755227 MNXKREDWCRGYCZ-GVAUOCQISA-N 481.464 4.906 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 870205 DZMLJRQVOOPUOT-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 3770740 KHFIDTCAPGMVCY-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 9127848 WVUJEWNNTFELFX-JOCHJYFZSA-N 490.545 4.668 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1 13425229 HKLYIBRCYMOGRE-UHFFFAOYSA-N 475.530 4.646 5 40 JJBB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13590270 HLTUEVQBDVNCRJ-UHFFFAOYSA-N 494.323 4.646 5 40 JJBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 14272518 SPVMUJMBABSLDL-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 102766359 BFURDYFRTOVTEE-RJGXRXQPSA-N 493.903 4.698 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223870410 XDQIFGTVSVDHSN-GOTSBHOMSA-N 457.515 4.663 5 40 JJBB COC(=O)c1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 2445134 NZSRZORFAZFPLX-QFIPXVFZSA-N 466.449 4.779 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 9716154 QOHLMGSANFKXKN-UHFFFAOYSA-N 463.471 4.676 5 40 JJBB Cc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)c([N+](=O)[O-])c1 9730875 YURZCPSUMWDLRN-UHFFFAOYSA-N 458.106 4.754 5 40 JJBB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 408594576 IMTXWJPBNMTEGP-UHFFFAOYSA-N 493.545 4.678 5 40 JJBB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408652946 PHBBOYUAYBNNQN-URXFXBBRSA-N 472.497 4.819 5 40 JJBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1 409348329 OVUOSTYYUHXKOI-LPYMAVHISA-N 490.541 4.736 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1Cc1ccccc1Cl 2252656 CQJBCHDNMXFNFT-UHFFFAOYSA-N 481.899 4.714 5 40 JJBB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3219202 QCAOLKRRCJLTNN-UHFFFAOYSA-N 466.877 4.892 5 40 JJBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)C[C@H]1c1ccccc1 9420245 HCOMUMJIHYSWFU-QHCPKHFHSA-N 452.470 4.801 5 40 JJBB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 9679176 XUXJBUOFNOKBRR-JAIQZWGSSA-N 493.269 4.921 5 40 JJBB CCCCOC(=O)c1cc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 16638936 JYNXNSXWQGAVEO-JXMROGBWSA-N 461.927 4.732 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1 20453439 KJAUAERORSJCPI-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22569833 LYZIKCOZOQTWCN-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])c(OC)c1OC 24968200 JWPGAWBZGGHIOS-UHFFFAOYSA-N 491.953 4.904 5 40 JJBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N2CCCCC2)cc1 33908026 FJFIMVPOGKEPLM-QJOMJCCJSA-N 459.502 4.947 5 40 JJBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NCC(C)C 225747576 PSIXVVVRMPRVLM-HHHXNRCGSA-N 487.600 4.858 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 408574407 QIWWVHYVOZXZIO-ZRDIBKRKSA-N 496.976 4.745 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 409200733 ITEGTKJOXXYJIY-VAODSVERSA-N 458.492 4.850 5 40 JJBB COc1ccc(C(=O)n2c(C)c(Sc3ccccc3[N+](=O)[O-])c(=O)n2-c2ccccc2)cc1 3189184 QBPXLSPYFFPJFL-UHFFFAOYSA-N 461.499 4.704 5 40 JJBB C[C@H](NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9064660 UFUIOEQWJIFNPA-DUXBZUBYSA-N 470.639 4.794 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 13301412 WBPUKBFHWJFTNO-ZCOIRKDISA-N 454.482 4.564 5 40 JJBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 22706514 ALBSSRMFWJMMOL-VGOFMYFVSA-N 470.529 4.518 5 40 JJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)nc12 22710336 AAZFFNKMSKZBKT-UHFFFAOYSA-N 474.506 4.534 5 40 JJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225573096 DINVYCOXIWUKHI-VWLOTQADSA-N 491.613 4.523 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408730494 GRACRZGYACRUJA-JFWNMISASA-N 494.503 4.733 5 40 JJBB O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccccc1 409228911 HCKYKITWFDBWFE-OEAKJJBVSA-N 452.470 4.691 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 3256512 ZVSCXRDUUOVOPB-UHFFFAOYSA-N 478.358 4.687 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 8398907 XATOSEUUPCDBDS-UJKMTWAASA-N 475.298 4.754 5 40 JJBB COc1ccc(C(=O)N2[C@H](c3ccccc3)COC23CCN(c2ccc([N+](=O)[O-])cc2)CC3)cc1 8857341 CDGXMANWKUJFKU-VWLOTQADSA-N 473.529 4.814 5 40 JJBB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8901063 OLXPCLRYSLDRBL-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc([N+](=O)[O-])s1 12002313 ACJNROAZOQADAV-UHFFFAOYSA-N 457.274 4.637 5 40 JJBB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12886387 KTTRRJIWIFGLLU-LBPRGKRZSA-N 471.832 4.849 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274717 YCBMZFBFOVFZFW-UHFFFAOYSA-N 488.529 4.525 5 40 JJBB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 35272003 WISDYCVQLVWKTC-UHFFFAOYSA-N 468.922 4.936 5 40 JJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)OCc1ccccc1 408738880 WSPOXXFMGVBTEK-NRFANRHFSA-N 498.333 4.834 5 40 JJBB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 2245756 RKCPGGHAUZDUES-YRPNKDGESA-N 456.340 4.566 5 40 JJBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC)c(C)nc32)cc1 2420378 SSVZYFSYYJJZTK-UHFFFAOYSA-N 469.545 4.959 5 40 JJBB Cc1c(C(=O)OCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cccc1[N+](=O)[O-] 3447928 ADEDQVXEELRDJN-OAQYLSRUSA-N 488.949 4.823 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1[N+](=O)[O-] 8833320 MULCOWLTTFNOPF-UHFFFAOYSA-N 478.486 4.552 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4ccccc4)nc2c31 8877728 ARMUVIXKGQJRFY-UHFFFAOYSA-N 463.493 4.539 5 40 JJBB biogenic COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 9289032 BHVJXZRRQQIGJX-ZEQRLZLVSA-N 469.501 4.885 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528879 VRRDGQMMMMOJSI-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224792225 YCNDPGRFDVNXTO-QGZVFWFLSA-N 457.958 4.657 5 40 JJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 2228789 ZHUOLXUONKWVRO-NRFANRHFSA-N 453.410 4.901 5 40 JJBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc([N+](=O)[O-])cc1 6878484 IGLZKIBMTOGTPW-UHFFFAOYSA-N 466.548 4.728 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810461 HOVPKNLXNIKLKJ-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 9056678 VBIDDTUMKLJTJB-NSHDSACASA-N 463.313 4.835 5 40 JJBB C[C@H]1CCc2c(sc3nc([C@@H](C)SCc4cc([N+](=O)[O-])cc5c4OCOC5)[nH]c(=O)c23)C1 9591701 KQHYZVWLHSYAAG-NWDGAFQWSA-N 473.576 4.879 5 40 JJBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3ccccc3c2=O)c1 10368236 RDRAIJRAIVRHHN-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB CN(C)[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 12565972 PIDSRHNJSNUDBH-PKTZIBPZSA-N 497.393 4.930 5 40 JJBB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC 13536791 MAELGRJYCNVOHT-NBGIEHNGSA-N 461.474 4.863 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14270369 FPGOJROINPOZCI-UHFFFAOYSA-N 469.350 4.724 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 30869149 PJWQOCBEGYTKIU-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 102747080 XHJPICMRXHBYBX-PCCBWWKXSA-N 484.295 4.953 5 40 JJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C)c(C)c1 102921404 UVARXPNATAVGGY-GKPLWNPISA-N 498.583 4.689 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223406920 LDJPKZDLFPRQCJ-OAQYLSRUSA-N 475.586 4.689 5 40 JJBB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 8831770 BZXHMUWWICFVKC-KRWDZBQOSA-N 467.595 4.701 5 40 JJBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832223 XQSVYTOLPGDYSB-UHFFFAOYSA-N 460.469 4.629 5 40 JJBB C[C@H](Nc1cc(N2CCN(C(=S)NC(=O)c3cccs3)CC2)ccc1[N+](=O)[O-])c1ccccc1 8974585 PFHAHRYLDPWQEK-KRWDZBQOSA-N 495.630 4.666 5 40 JJBB CCCCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccc(C)cc2s1 9130954 LSLHGAVAEKNCNG-UHFFFAOYSA-N 454.552 4.796 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 12985394 UZBWDMBHFLFOQF-AREMUKBSSA-N 461.518 4.507 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 13564561 YIGHDGQXVNRDNI-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1Br 14605063 GFIHUHWQOGYOJE-UHFFFAOYSA-N 479.268 4.650 5 40 JJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O 16476480 UVTOEXNTBVOKQM-FQEVSTJZSA-N 456.248 4.844 5 40 JJBB O=C(c1ccc(F)cc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851526 DICDTGNVYWHHSF-ICLZECGLSA-N 489.528 4.553 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 138838418 NJKUOSYMBRZZAF-UPRAQXHNSA-N 490.343 4.880 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223181446 XTWPYPLYKAYMET-JOCHJYFZSA-N 471.623 4.859 5 40 JJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409064058 BJEPHPXAJULGKI-NGZBARDMSA-N 479.514 4.504 5 40 JJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 2685915 DVYUEMVGWZMACV-QFIPXVFZSA-N 480.318 4.850 5 40 JJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCCc1ccccc1 8792307 CLUPFBPYGSUQLB-UHFFFAOYSA-N 461.521 4.720 5 40 JJBB biogenic O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1Cc1ccc(Cl)cc1 8871108 PGUXEEDEVQVXOW-UHFFFAOYSA-N 495.926 4.757 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C 13424279 UHLLXHSPLTVGMW-UHFFFAOYSA-N 479.942 4.720 5 40 JJBB CCOC(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1=Nn2c(nnc2-c2cccs2)SC1 96792825 ALCDKXLJWZSWTO-XYOKQWHBSA-N 475.939 4.525 5 40 JJBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409391786 JUNVVRMPSMCRFK-CFRMEGHHSA-N 487.537 4.570 5 40 JJBB O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1559442 VGAGLMHHQYXUTP-UHFFFAOYSA-N 479.452 4.786 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9353073 BNRPMTUMQDZPAK-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB CNc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1[N+](=O)[O-] 9493234 RUHSQNLSJWUZHM-UHFFFAOYSA-N 476.411 4.529 5 40 JJBB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 9892023 HOIKXECPJGYFAR-UHFFFAOYSA-N 483.274 4.612 5 40 JJBB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12588096 LRBGIIUYDAWFIO-UHFFFAOYSA-N 466.519 4.732 5 40 JJBB COc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13109992 NURWCUCZXOQPBW-UHFFFAOYSA-N 474.828 4.984 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224530569 VTFAUEIJPAEBCH-XMMPIXPASA-N 499.633 4.703 5 40 JJBB CCOc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408994627 ZZWPFTCQRHHKFJ-SUMWQHHRSA-N 463.562 4.543 5 40 JJBB C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9219826 PDDDBCWLXUFQFZ-CABCVRRESA-N 493.536 4.933 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060400 RFPOWBXUAVXHSC-FGZHOGPDSA-N 455.474 4.576 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)C2=O 13361966 NDHSZBUHUGEMJK-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB COc1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 29330903 MYLHKIHQTGDJAX-UHFFFAOYSA-N 479.880 4.941 5 40 JJBB Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc(C)c1Cl 33736392 OMVMEWHJLJYNRC-UHFFFAOYSA-N 487.000 4.583 5 40 JJBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCCO)C3=O)cc1C 408992346 AKBXCMXLEWXFEM-UHFFFAOYSA-N 498.333 4.849 5 40 JJBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1Cn1cc([N+](=O)[O-])cn1 2271450 UJYOUSICZXTTHQ-DEOSSOPVSA-N 473.464 4.758 5 40 JJBB O=C(COC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Br 3337778 ZNDGMHGSIYTODD-UHFFFAOYSA-N 493.257 4.650 5 40 JJBB COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc(OC)c1OC 10120219 UJFKVUMIWWZSET-UHFFFAOYSA-N 463.446 4.990 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102724484 FPWJGVZMUJRDLG-NJYVYQBISA-N 484.295 4.953 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC 215027363 CQWZGDAJLAGPLE-CXUHLZMHSA-N 479.308 4.611 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223226597 BMNOEWJOCOFYRQ-JOCHJYFZSA-N 471.623 4.859 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1C 408546545 FDXDKBJKASNROB-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1464951 BBIRDRCJVJWSAF-UHFFFAOYSA-N 468.354 4.559 5 40 JJBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Cl)cc4)n32)CO1 2408653 JOAUPKRCORZORV-UHFFFAOYSA-N 456.984 4.784 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289002 JVTXRCVFKYRIHJ-GOTSBHOMSA-N 455.474 4.576 5 40 JJBB COc1cc(Br)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC 13546514 GOKOTQSDETUIHB-PXNMLYILSA-N 479.308 4.611 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 102572585 ZHSXWBZNQBSUEY-NOZRDPDXSA-N 481.512 4.965 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccccc1 214669074 BJJVDGWVFLQKAM-HYARGMPZSA-N 489.509 4.849 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225285962 BBLOSWSSMOTVSX-LSDHHAIUSA-N 466.365 4.776 5 40 JJBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)c(C)c1 408586257 MIGVDDCTXGSONS-UHFFFAOYSA-N 497.573 4.671 5 40 JJBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409339535 JVDHWSROJFIHRY-CLTKARDFSA-N 494.338 4.694 5 40 JJBB [O]/C(=C1/CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1)N1CCOCC1 1560405213 QSQGQLNENVAPGR-UHFFFAOYSA-N 484.620 4.668 5 40 JJBB O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 3118818 JIOSQNGGAOMWBO-UHFFFAOYSA-N 487.345 4.703 5 40 JJBB O=C(NC[C@@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8763316 CSXIPRMXWPTRKN-SVBPBHIXSA-N 486.572 4.879 5 40 JJBB CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9114529 DKWLHBUAJBPVTK-JTQLQIEISA-N 456.505 4.581 5 40 JJBB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2c2cccs2)cc1 9539144 CUSANSFYXUBIDB-OFNKIYASSA-N 494.525 4.669 5 40 JJBB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Br 9884940 NBHAHXSBMWGMDW-UHFFFAOYSA-N 492.330 4.821 5 40 JJBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1C 409411398 WDJBQZQYBNINNM-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2618605 UANHXYGTKQQXOV-SNVBAGLBSA-N 452.323 4.816 5 40 JJBB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3293643 QSHGRCJPZSNNLO-CYBMUJFWSA-N 466.548 4.633 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3sc(C)c(C)c3c2=O)cc1 13401789 IYFYJOGOPGUUSE-UHFFFAOYSA-N 496.570 4.712 5 40 JJBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 15947037 MKWLSRKFINRYDL-INIZCTEOSA-N 451.346 4.614 5 40 JJBB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224862912 GXTHBLSGGQWUSW-LJQANCHMSA-N 475.611 4.816 5 40 JJBB O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 408556235 ZSOXYAIZGPBQKV-UHFFFAOYSA-N 496.328 4.720 5 40 JJBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)c(C)nc21 9462049 JODNAPWSGFOQAI-QGZVFWFLSA-N 459.937 4.733 5 40 JJBB CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OC(C(F)(F)F)C(F)(F)F)n1 12285239 PFNDZQBRAGXRAE-QMMMGPOBSA-N 454.331 4.606 5 40 JJBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 13098760 XKMLCARJMVBYBF-UHFFFAOYSA-N 481.484 4.911 5 40 JJBB CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777771 ABFLPHHDSFDTCG-UHFFFAOYSA-N 455.883 4.592 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223263800 SGFIMUXIYPDSIZ-QFQXNSOFSA-N 473.573 4.692 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223520212 JUWPGSDDCXMDEH-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB Cc1ccc(N(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2nc3ccccc3s2)cc1 9509432 DJHKYFYOWMZMHD-UHFFFAOYSA-N 462.487 4.617 5 40 JJBB Cc1cc(NC(=O)c2ccccc2I)nc2c1c(=O)oc1ccccc12 11726695 NGVNJUWOYJGUID-UHFFFAOYSA-N 456.239 4.507 5 40 JJBB Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1C 12540462 MMQGZBPJQIARDT-UHFFFAOYSA-N 455.294 4.859 5 40 JJBB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14030094 WAKDQZGHDLLQQW-UHFFFAOYSA-N 452.330 4.663 5 40 JJBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 34851598 RITSCBHLSHJSDQ-UHFFFAOYSA-N 482.747 4.537 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 102707373 XDGUDTSUVLEHAK-CCDWMCETSA-N 465.465 4.799 5 40 JJBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C(=O)N1CC1CCCCC1 409141967 JWCBCLYVLAEGSY-VGOFMYFVSA-N 488.303 4.522 5 40 JJBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 409177175 CUIXLUDSOIFVMY-UHFFFAOYSA-N 459.911 4.539 5 40 JJBB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8671251 VMNBJKNBNIHETB-UHFFFAOYSA-N 494.323 4.646 5 40 JJBB aggregator CC(C)(C)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 13130509 WLRZMMTXXJCVHM-UHFFFAOYSA-N 494.997 4.690 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1Cl 20610790 PVMGGUTUEJVGPE-UHFFFAOYSA-N 458.261 4.896 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225173933 NLKSAQQZYSLBPS-DLBZAZTESA-N 478.014 4.813 5 40 JJBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225195665 POBWUHGNRHOQPK-NRFANRHFSA-N 478.014 4.815 5 40 JJBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225761900 FTTUAMHBGKPSCV-HHHXNRCGSA-N 487.600 4.858 5 40 JJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2303302 HOJFQBLTVDOGGN-UHFFFAOYSA-N 461.525 4.925 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9714739 SSDKMBBMTNZVDR-UHFFFAOYSA-N 480.527 4.771 5 40 JJBB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccco1 13425373 HECHVFQUHBWCSG-INIZCTEOSA-N 493.545 4.931 5 40 JJBB CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 15906673 QUYZRWIQUYUIMB-UHFFFAOYSA-N 471.513 4.835 5 40 JJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 36774050 ZVJWBTPCWUDZIE-UHFFFAOYSA-N 451.523 4.511 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCCCC1 205819111 ZFRVXAIPGWGAEB-WOJGMQOQSA-N 475.910 4.557 5 40 JJBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223434164 NHFIZIPEZGALEE-JWQCQUIFSA-N 485.569 4.962 5 40 JJBB COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 3407707 ZXSIBJMJYTUBFB-UHFFFAOYSA-N 493.497 4.858 5 40 JJBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565376 KAMVDAGBUQBGQL-INLHRRLZSA-N 487.556 4.541 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-] 408906839 IYMYLJWYNHPNCV-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2431677 GRTLFSPUAMCTQP-UHFFFAOYSA-N 461.953 4.980 5 40 JJBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc([N+](=O)[O-])c1 3226427 CISJNYZPSFYROQ-UHFFFAOYSA-N 491.500 4.723 5 40 JJBB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c(=O)nc3c4cccc5cccc(c(=O)n3c2c1)c54 4015296 DYZMCMICKZKVQB-UHFFFAOYSA-N 493.478 4.906 5 40 JJBB biogenic O=C(NCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 6142566 AGSUWEQCNUMHIZ-UHFFFAOYSA-N 483.308 4.530 5 40 JJBB COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccccc1Cl 8832314 RQNBZPDEFDUPSL-UHFFFAOYSA-N 455.854 4.527 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC 9510505 QFGSOVFGTYDQQW-WNCULLNHSA-N 492.576 4.812 5 40 JJBB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 12566579 HVQUHLDEAHQTHV-CQSZACIVSA-N 475.929 4.597 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528623 ZXKQWNVIIVIABM-UHFFFAOYSA-N 488.972 4.594 5 40 JJBB NC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCN(Cc1ccccc1)C2 23153831 DZZUJPBPYTYVNC-UHFFFAOYSA-N 492.582 4.781 5 40 JJBB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409189414 GIPDMHUKERMZSI-CEFCJMCMSA-N 470.437 4.567 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 947109 NHIBLAGQBTXFOU-UHFFFAOYSA-N 480.517 4.881 5 40 JJBB biogenic O=[N+]([O-])c1ccccc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 13101837 UAGVVAMBGJLBMT-UHFFFAOYSA-N 458.883 4.504 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 20529022 VYLBCQGWZNFNLD-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1F 108126488 PNRUCZTUVWKPOD-VXLYETTFSA-N 485.424 4.808 5 40 JJBB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 248274498 RKCPGGHAUZDUES-FYQPLNBISA-N 456.340 4.566 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408686829 SHWHBSIBXZATIV-DUXSXAKTSA-N 488.327 4.656 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408688646 WKTJXWPFDLALCM-SJLPKXTDSA-N 488.327 4.800 5 40 JJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 409165635 AMMWBGBREBPGAI-RGVLZGJSSA-N 497.460 4.678 5 40 JJBB O=C(Oc1c(Sc2ccccc2[N+](=O)[O-])c(=O)oc2ccccc12)c1ccccc1[N+](=O)[O-] 3218649 PZDJSSXNNVBTTA-UHFFFAOYSA-N 464.411 4.980 5 40 JJBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 3346203 ZIUVMAKRUXAJFA-UHFFFAOYSA-N 456.281 4.726 5 40 JJBB COc1ccc(-c2csc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)n(C)n3)n2)cc1OC 35683120 XARUSPLUPHKXDO-UHFFFAOYSA-N 479.518 4.697 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 408728648 QPXNMHLVNCCPDO-PJYWLYPCSA-N 458.901 4.993 5 40 JJBB COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)c1 9373023 JALOQBMHUPGCKM-UHFFFAOYSA-N 496.932 4.687 5 40 JJBB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 39743019 UHVOKAHUMWMBAC-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 57312841 XFCGCLAHPQTHIF-DHZHZOJOSA-N 450.501 4.991 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649481 DPTHZRGXNSZFHU-CSKPTYFESA-N 465.292 4.692 5 40 JJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccccc1 408841852 IBADHBJGEPVLLR-CPNJWEJPSA-N 493.269 4.921 5 40 JJBB Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nn5c(C)nnc5s4)cc3)o2)c([N+](=O)[O-])c1 10035103 IFGGROLZVFUFRR-UHFFFAOYSA-N 474.502 4.568 5 40 JJBB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10433945 GZUJUGYUGQVKRQ-UHFFFAOYSA-N 477.901 4.606 5 40 JJBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 16226771 NSWAGLCESZCHBN-UHFFFAOYSA-N 480.952 4.831 5 40 JJBB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 870497 BTNABZFBTFBYPO-UHFFFAOYSA-N 474.974 4.819 5 40 JJBB Cc1c(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC(C)(C)C2)cccc1[N+](=O)[O-] 8443695 QJVRZRDCBHZSRU-HFJWLAOPSA-N 496.564 4.865 5 40 JJBB O=C(Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1F 9264841 XVMWFDXCFGGVPQ-UHFFFAOYSA-N 463.494 4.788 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 18145293 VFYBMGMVZNNLCW-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 21469405 BRFCDINLJBJPLH-KOSHJBKYSA-N 493.541 4.631 5 40 JJBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 33720003 MFVMWYPGZRIXOW-NHDPSOOVSA-N 492.465 4.781 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 59503339 NCCQVXXQHDZUMO-CAZKKTPXSA-N 465.292 4.778 5 40 JJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1C 89643247 FTQIQPPSECCUIN-UHFFFAOYSA-N 474.922 4.909 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223272163 HYNDWSOPHDSHNE-QFIPXVFZSA-N 471.623 4.859 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 223519997 LZKMVDOCLZUAQZ-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225251111 KRLYNPRBTBCAIC-HUUCEWRRSA-N 466.365 4.776 5 40 JJBB Cc1c(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408585436 DSAVJBRQVKMUCG-UHFFFAOYSA-N 491.928 4.525 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(F)c1 409241666 LIUDCCSJDQYBLA-ODLFYWEKSA-N 467.434 4.669 5 40 JJBB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 9469849 FPQBBXDPDXYHHQ-UHFFFAOYSA-N 479.493 4.721 5 40 JJBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)Nc1ccon1 9585642 LNLIURVOPBRRBN-GHRIWEEISA-N 484.468 4.803 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274369 GTARORFBFABXCZ-UHFFFAOYSA-N 493.545 4.557 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037904 PIHWZSSHCMEQBB-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n2c4ccccc4nc32)cc1OC 20643560 BOCIKAYVYAEREE-UHFFFAOYSA-N 458.543 4.688 5 40 JJBB biogenic Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 21469395 BRFCDINLJBJPLH-MHECFPHRSA-N 493.541 4.631 5 40 JJBB COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33693808 ZYJFVUZYPLOBHW-UHFFFAOYSA-N 493.391 4.863 5 40 JJBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC1CC(C)(C)NC(C)(C)C1 8792378 UBYYFXMOIJUGEB-KRWDZBQOSA-N 496.611 4.785 5 40 JJBB biogenic Cc1ccc(-c2nn([C@@H]3CN(C)CCN3c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1C 8892104 PMZKWCILKCTREQ-RUZDIDTESA-N 469.545 4.539 5 40 JJBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 9076167 WCLBPXUUJCKJKL-UHFFFAOYSA-N 467.529 4.885 5 40 JJBB CCCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1N1CCOCC1 9933571 TUHKCMMYHADEFY-UHFFFAOYSA-N 479.489 4.511 5 40 JJBB Cc1cccc(CSCC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 21247809 LYVSRIKVPBWKJZ-UHFFFAOYSA-N 456.545 4.608 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39762609 ACOYVSUTWBYYGK-OUKQBFOZSA-N 455.430 4.549 5 40 JJBB CCN1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229372 XSQFYXFPNXNTIJ-UHFFFAOYSA-N 457.745 4.949 5 40 JJBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 107568946 QSEBDBLDIAJULG-RMKNXTFCSA-N 468.926 4.937 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225101024 KWTSGEPKUNNEBG-HSZRJFAPSA-N 451.567 4.702 5 40 JJBB COc1ccc(N2C(=O)c3cccc4c(C(=O)c5cccc([N+](=O)[O-])c5)ccc(c34)C2=O)cc1 991338 LZRNNKSBXHYSMD-UHFFFAOYSA-N 452.422 4.788 5 40 JJBB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746377 XXLAQTHWGZUYKE-QHCPKHFHSA-N 454.442 4.741 5 40 JJBB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 8682561 QRUUKLNMJBKFEO-UHFFFAOYSA-N 479.368 4.995 5 40 JJBB Cc1ccc(NC(=O)[C@@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 9581159 ADMQOWBLEMIWMO-QFIPXVFZSA-N 452.488 4.851 5 40 JJBB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12553185 NCGWBUGUKRFHPZ-UHFFFAOYSA-N 488.500 4.818 5 40 JJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 15391706 DKZVMOHXVDWADT-UHFFFAOYSA-N 460.487 4.660 5 40 JJBB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)nc12 3323334 DQTNUZCPRDDPBD-UHFFFAOYSA-N 474.542 4.866 5 40 JJBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(c2ccc(F)cc2)CC1 8792406 PXOSZSHBUJFEOD-UHFFFAOYSA-N 476.511 4.693 5 40 JJBB biogenic COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1Cn1cc([N+](=O)[O-])cn1 9008857 JDXKMPQZTCHOQC-XMMPIXPASA-N 473.464 4.758 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n2CC(C)C)cc1 10021548 NUPFOKNIFRHYNN-UHFFFAOYSA-N 469.567 4.866 5 40 JJBB COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 62569312 AUXQCAORJGPJQF-UHFFFAOYSA-N 476.411 4.519 5 40 JJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224392887 CVTRDCJKRBVHND-RUZDIDTESA-N 491.563 4.831 5 40 JJBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC 248131849 KMDKBKFJBUMUOR-DTGGKOQTSA-N 456.498 4.600 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 408605908 NJTCGJBMYZLDEX-FQEVSTJZSA-N 468.922 4.940 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661596 RAYMEGUYZNCKGJ-SKGAXEKPSA-N 495.318 4.701 5 40 JJBB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2326225 BGOVNRFVBGLSDS-UHFFFAOYSA-N 457.917 4.626 5 40 JJBB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 2622947 CRHXSRJVGBKWNZ-UHFFFAOYSA-N 468.720 4.527 5 40 JJBB O=C(NCc1ccc(Cl)cc1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1 3244013 HMQNUWPRHHTFRI-UHFFFAOYSA-N 484.339 4.918 5 40 JJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 12377803 UHNUNGITDZRJNE-SQFISAMPSA-N 454.486 4.786 5 40 JJBB CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 60276871 LBOPRVFEYOMGKB-PZJWPPBQSA-N 481.597 4.712 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661324 QPBTVWWOONYKHU-CSKPTYFESA-N 483.282 4.832 5 40 JJBB COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 409004090 WMMINDGJSMPWLV-NRFANRHFSA-N 483.908 4.733 5 40 JJBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409226154 SLNNZDFBTBIFAG-CIAFOILYSA-N 491.481 4.710 5 40 JJBB Cc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])nc3ccccc3c2=O)c1C 9912399 NDYQYOLOSIYJSE-UHFFFAOYSA-N 478.505 4.781 5 40 JJBB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154381 IZNZOBOODPVBDO-JXMROGBWSA-N 497.349 4.679 5 40 JJBB COc1cc(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c(C)cc1[N+](=O)[O-] 35241045 PVHPDWIXKZIOLW-GZTJUZNOSA-N 470.478 4.835 5 40 JJBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106740099 FHXPFVRJKGRULG-XRVIQIRUSA-N 453.259 4.867 5 40 JJBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224542913 SCMCDXFAVUMZIU-DNQXCXABSA-N 471.542 4.966 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 408988522 RBPHCEKFXSDBDQ-FYJGNVAPSA-N 488.452 4.566 5 40 JJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409248340 PYDVOEGABCWJKF-UDWIEESQSA-N 494.891 4.602 5 40 JJBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C 409340985 BTEJTDIOFMDYEI-NHDPSOOVSA-N 470.503 4.557 5 40 JJBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409408996 FPVLXKJWIZCVDN-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 4109836 HXMYZGCVWCIHQP-UHFFFAOYSA-N 472.876 4.994 5 40 JJBB COc1c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc2ccccc2c1Br 14270022 ZPMQELABRTYPBU-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408570236 ZXLCVJATWVFLRO-WOEHHYBBSA-N 479.536 4.941 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683304 LCSUBGVNYBKRAK-VMDGZTHMSA-N 490.343 4.880 5 40 JJBB COc1ccc(NCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 868994 MEBAHDJVNCOBOI-UHFFFAOYSA-N 490.545 4.527 5 40 JJBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)c1 2256912 FWIXSRQXMQDBBZ-UHFFFAOYSA-N 477.524 4.658 5 40 JJBB COc1ccc(Nc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc3ccccc23)c(OC)c1 9113781 QXJYMRDCSRJLFU-UHFFFAOYSA-N 486.532 4.625 5 40 JJBB O=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(Cl)c1 9546250 DXPNWWAOCOAFHD-UHFFFAOYSA-N 456.867 4.785 5 40 JJBB C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 11278350 OOKFWBPEWBLORR-SFHVURJKSA-N 484.552 4.954 5 40 JJBB O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384642 MHUNFNKDVAHVHR-UHFFFAOYSA-N 492.679 4.992 5 40 JJBB Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 59417227 FDACDNJUTKECKE-UHFFFAOYSA-N 479.514 4.807 5 40 JJBB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 75629721 IGWRHRQJZDOTQJ-IBGZPJMESA-N 499.593 4.828 5 40 JJBB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 251923442 BQRZUJOAIBJIQW-JDFFJWHXSA-N 493.519 4.550 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1 1382292 MOSGAKOZLCFXSX-UHFFFAOYSA-N 452.805 4.918 5 40 JJBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12312022 AGNCKRXOOZBWCP-NSHDSACASA-N 459.808 4.558 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 13804074 TXRMFAGOPOCSLU-VABKMULXSA-N 477.904 4.916 5 40 JJBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1-c1ccc(CO)o1 20142864 OFOLEDGCRIJYPY-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 100821767 ZZANMYVURWTKRN-GOSISDBHSA-N 498.948 4.628 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 102772003 GWWBCAZAJVPJLP-JPYYHWIRSA-N 485.565 4.722 5 40 JJBB COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCN(C)C2 408573350 CCPSGNHILFWPKK-XSFVSMFZSA-N 477.542 4.610 5 40 JJBB COCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(C)nc21 2330657 FEEZKNHEPBXBBF-UHFFFAOYSA-N 454.317 4.545 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 6232796 GDCOIAAFAQJRNE-YCIYHOANSA-N 489.325 4.928 5 40 JJBB C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)C(=O)Nc1ccccc1[N+](=O)[O-] 9140229 PYRLDMYEALCFBM-ZDUSSCGKSA-N 496.570 4.616 5 40 JJBB CCCOc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9633090 AISQWBOXTWPUCS-CQSZACIVSA-N 496.438 4.936 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 13140325 MCIRLFAXLUNNCG-SUYBPPKGSA-N 463.581 4.609 5 40 JJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767717 GIFDUYSJPKFZOR-UHFFFAOYSA-N 459.424 4.832 5 40 JJBB Cc1nn(-c2ccccc2)c(O)c1C(c1cc([N+](=O)[O-])ccc1O)c1c(C)nn(-c2ccccc2)c1O 100190968 ZBAVVGZRHSVKGD-UHFFFAOYSA-N 497.511 4.880 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408681264 HNBSLZUQZVTZHM-IAGOWNOFSA-N 476.316 4.634 5 40 JJBB COc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 409182191 JBACHMAURAYEOR-UHFFFAOYSA-N 495.444 4.766 5 40 JJBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 409312395 LGCWMDWDNZOMAR-KXFIGUGUSA-N 464.261 4.861 5 40 JJBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 13930070 IPIIZTGGTVIMAP-ACAGNQJTSA-N 489.052 4.851 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 15178621 FOXMTGJYGDJZDQ-KRWDZBQOSA-N 453.520 4.537 5 40 JJBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1C 33468795 QVVPSSLFBNAOLI-UHFFFAOYSA-N 498.992 4.962 5 40 JJBB CN(CC(=O)N1CCc2sccc2[C@H]1c1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl 57442527 AEHPYJYMEUZFMU-NRFANRHFSA-N 461.996 4.977 5 40 JJBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1O[C@@H](C)CC 225770819 KVAVHAYFQXCBJN-KRWDZBQOSA-N 470.522 4.636 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 409177718 ICOGATFGENGHTH-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB COc1ccc(-c2nc3c(c(=O)c(C)nn3-c3ccccc3)c3nc4ccccc4n23)cc1OC 9002154 YXGYVVLFNPLVGY-UHFFFAOYSA-N 463.497 4.574 5 40 JJBB O=C(Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl)c1cccs1 9508849 XKGWIBDGZQPMCG-UHFFFAOYSA-N 470.938 4.524 5 40 JJBB CCc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3ccccc3c2=O)cc1 11199176 AQOHGERKHVRYLS-UHFFFAOYSA-N 474.542 4.896 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59559256 BOJLXQFFTRFPPT-UHFFFAOYSA-N 485.588 4.770 5 40 JJBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223434417 RWAYNISNVFBLRZ-JWQCQUIFSA-N 485.569 4.962 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223610713 BPCBOTCDZSKZCU-HSZRJFAPSA-N 471.623 4.860 5 40 JJBB Cc1cc2nc3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n3c2cc1C 2904975 IVRFEZCMLHYHSO-JMIUGGIZSA-N 451.891 4.895 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])c1 8927011 WBPUKBFHWJFTNO-PGAZUGQPSA-N 454.482 4.564 5 40 JJBB COCCN(CCOC)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(C)C 35442690 CQHYKILOLYQRAA-FIXSFTCYSA-N 486.613 4.637 5 40 JJBB biogenic,in-vitro CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223194567 CZZRBBRWPBBEPU-KRWDZBQOSA-N 478.014 4.815 5 40 JJBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-] 408642674 PJNIUYFAPOVPSZ-GFCCVEGCSA-N 466.719 4.619 5 40 JJBB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)[C@H]2C=C[C@H]1C2 408750676 QEYUMPBFUORZEN-FEBSWUBLSA-N 481.555 4.958 5 40 JJBB COc1ccccc1[C@H]1CN2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789692 HTHQYWWLJVVXKR-HRFSGMKKSA-N 482.496 4.914 5 40 JJBB biogenic COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC4CCCCCC4)cc3c3ccnc2c31 8792244 KGBWWMUJITUINE-UHFFFAOYSA-N 499.567 4.827 5 40 JJBB biogenic Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316786 KDICDMDZZDYTQB-UHFFFAOYSA-N 468.391 4.932 5 40 JJBB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)c1cccc([N+](=O)[O-])c1 9540028 IAAGVWILXGEFFP-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB CCCCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cccc(C)c3nc21 100851728 VQRLWVNKFPRNCZ-UHFFFAOYSA-N 485.009 4.504 5 40 JJBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 408999026 REPRBUDDGMNMHP-UHFFFAOYSA-N 496.431 4.920 5 40 JJBB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409342206 APNVRCKFTQQNJI-ZDLGFXPLSA-N 491.319 4.675 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2250122 XVSJUYOAMVLFST-UHFFFAOYSA-N 467.916 4.994 5 40 JJBB COc1ccc(CCn2c(-c3ccccc3Cl)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2328421 JTKAPHIIZZOJRL-UHFFFAOYSA-N 471.944 4.820 5 40 JJBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(CC(C)C)s1)C3=O 2418085 ADNLWXKSKLBJCR-FQEVSTJZSA-N 476.514 4.809 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060434 HUYZBCQYFQRAAN-PKTZIBPZSA-N 469.501 4.885 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408693736 CSRILAKQXHFKBX-UHFFFAOYSA-N 464.279 4.857 5 40 JJBB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc12 6142802 CQFSDAMAKJTNJC-UHFFFAOYSA-N 476.507 4.806 5 40 JJBB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)ccc2[N+](=O)[O-])n1 20353022 YQRSMGGRQGEUST-UHFFFAOYSA-N 462.941 4.926 5 40 JJBB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2767162 FMDJVYATVSKKOJ-UHFFFAOYSA-N 455.323 4.564 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 8952068 PEJQYTXOBPSDST-QHCPKHFHSA-N 465.465 4.594 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 9289704 FDQDELDTXWZPNF-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB COc1ccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C3CCCCC3)n2)cc1OC 9426399 GRXOTDOGXVWLKQ-UHFFFAOYSA-N 480.521 4.566 5 40 JJBB COc1cc2c(cc1NC(=O)[C@H](C)Nc1cc3c(cc1[N+](=O)[O-])OCCO3)oc1ccccc12 9562269 PUNAEJNWKHPLNA-ZDUSSCGKSA-N 463.446 4.713 5 40 JJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 9714963 IPBPMDHJFOFOOA-UHFFFAOYSA-N 488.934 4.911 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 12975325 YNWMBRGIBOSNFH-SANMLTNESA-N 461.518 4.507 5 40 JJBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c(C)n1C[C@@H]1CCCO1 25422335 VIYGTMJFEIDUNT-QFIPXVFZSA-N 491.544 4.844 5 40 JJBB CC(C)(C)c1ccc(-c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 55399089 UOHMUQNGNHOPRL-UHFFFAOYSA-N 453.568 4.858 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684256 NDSTXVWPCQMTRZ-MOPGFXCFSA-N 488.327 4.800 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408728373 KOSXUJIUXXTRFN-ZKKFKWFVSA-N 489.325 4.928 5 40 JJBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408919168 UGWFJSCYEIRFMG-ZQFKLAOWSA-N 458.901 4.959 5 40 JJBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccc(Br)cc2)cc1 9425912 VPEBPLFBGBGKJD-UHFFFAOYSA-N 484.258 4.616 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)c(C(=O)O)c3c2)cc1[N+](=O)[O-] 11615805 BZELKXNCEXQTJA-UHFFFAOYSA-N 452.444 4.815 5 40 JJBB CC(C)CCn1c(-c2cccc(Br)c2)nc2c(c(=O)c3ccccc3n2C)c1=O 13591467 LPADACIGVBQSBI-UHFFFAOYSA-N 452.352 4.724 5 40 JJBB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1Cl 32116376 ZNWNRVKRIKCBFT-UHFFFAOYSA-N 450.470 4.731 5 40 JJBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408563476 NFMDHHQOHGIFQB-CPNJWEJPSA-N 462.458 4.578 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CCCN12 408569352 VUVACKKCPDPJNG-BGBNXGLDSA-N 489.959 4.974 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569364 VYXSHYYRQOVGKY-MQVPCNEGSA-N 481.911 4.580 5 40 JJBB COCCCn1c(-c2ccc(Cl)cc2Cl)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2323778 ZADRHNGVSDMTMV-UHFFFAOYSA-N 461.301 4.522 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060436 HDMPPHRSASDTPY-DHIUTWEWSA-N 469.501 4.885 5 40 JJBB O=[N+]([O-])c1ccc(N=P(N2CCOCC2)(N2CCOCC2)C23CC4CC(CC(C4)C2)C3)cc1 25501447 OEMXIRTXNWUHOI-UHFFFAOYSA-N 474.542 4.891 5 40 JJBB COc1ccc(OC)c(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1 95681998 RPZCSPODOTWNCP-UHFFFAOYSA-N 494.372 4.906 5 40 JJBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)[C@H]1c1ccccc1 16976237 XLJRKLBIWWKJAI-BWKNWUBXSA-N 474.448 4.577 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6280087 WDTDEOUGULLPNY-UHFFFAOYSA-N 490.501 4.790 5 40 JJBB COc1cc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c([N+](=O)[O-])cc1OC 9569520 VJXIVBDQEPBFOH-UHFFFAOYSA-N 461.927 4.670 5 40 JJBB CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16610525 AJCIRMQUXVFUJE-INIZCTEOSA-N 465.472 4.855 5 40 JJBB Cn1cnnc1Sc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 34852784 NRNKMILWEBZSMH-UVTDQMKNSA-N 467.532 4.890 5 40 JJBB COc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1OC 100045970 YLFVEEBHHRKQCO-UHFFFAOYSA-N 494.372 4.906 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224614255 KTWCBYQYVOWVOS-GOTSBHOMSA-N 457.515 4.663 5 40 JJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc2ccccc12 408604447 JGYXMJHHXHWQSL-ACCUITESSA-N 466.471 4.991 5 40 JJBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409058346 NYFDDPQPNCPNSE-UNOMPAQXSA-N 497.916 4.656 5 40 JJBB CCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(OC)cc1 2625453 SGKKSBSNXHTWSI-UHFFFAOYSA-N 456.524 4.821 5 40 JJBB Cc1ccc(NC(=O)[C@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 9581158 ADMQOWBLEMIWMO-JOCHJYFZSA-N 452.488 4.851 5 40 JJBB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13591497 PBIWFUHSYZKSRR-LJQANCHMSA-N 461.470 4.571 5 40 JJBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277442 IVUIDYKHNVUZLK-UHFFFAOYSA-N 479.880 4.540 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCCCC1 205805513 NBAGENXVFSLKKQ-WOJGMQOQSA-N 475.910 4.557 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1O 215022795 GWQKRFHXVXEXOL-CXUHLZMHSA-N 479.308 4.698 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 408977024 CDWVREHYGMGRJA-QFIPXVFZSA-N 467.547 4.568 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289028 SVFRHZYVFMVDOQ-RPWUZVMVSA-N 469.501 4.885 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1c(Cl)cccc1C(F)(F)F 9633519 PXPGKHZBYSCQAF-UHFFFAOYSA-N 471.819 4.663 5 40 JJBB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1 19929289 CBNDGSQFFUULQF-UHFFFAOYSA-N 462.915 4.866 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(Br)c2)cc1 408565457 BZLDVDFMMIPOCE-LJQANCHMSA-N 493.383 4.856 5 40 JJBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccc2)CC1 408977147 VMRLARKDHSGRDQ-UHFFFAOYSA-N 470.536 4.842 5 40 JJBB CCOC(=O)C1CCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 409336127 MIMCDLYNZUTQFB-UHFFFAOYSA-N 450.589 4.970 5 40 JJBB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] 9671258 RWAZJGIMEHRQJK-UHFFFAOYSA-N 478.505 4.695 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 408576332 SJMWYRKWAJVXOP-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 1475729 GPZONUGILIVNFV-UHFFFAOYSA-N 488.387 4.638 5 40 JJBB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 9033848 FDZGIBMCXYYELL-RDGATRHJSA-N 487.512 4.660 5 40 JJBB biogenic CSc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9335495 WWTARPOZAJYZNQ-UHFFFAOYSA-N 457.533 4.678 5 40 JJBB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C 20608580 FVEPLVWGCDMEHN-UHFFFAOYSA-N 481.958 4.918 5 40 JJBB COc1ccc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408651133 GOUAJSWHWZSZTG-AGYDLCDTSA-N 495.318 4.701 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2(Cl)c2ccccc21 408918276 IIGLHPCOQPGXFW-ISQHLFTMSA-N 465.292 4.995 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 409222780 CTKWXMFOLYTCIM-UUASQNMZSA-N 470.265 4.716 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 409354376 DJJWDPGINRGUHD-UHFFFAOYSA-N 453.520 4.584 5 40 JJBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 409355021 BCRRXRXYTTZYPA-APSNUPSMSA-N 466.302 4.885 5 40 JJBB C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111832 NKMZFOPFYRFBSH-LJQANCHMSA-N 495.601 4.965 5 40 JJBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 21124319 SOXXLLZLWHZWIL-OVCLIPMQSA-N 484.556 4.772 5 40 JJBB CNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccc([N+](=O)[O-])cc4)nn13)CCCC2 27526479 UKHPEELVBNTLMI-UHFFFAOYSA-N 461.547 4.521 5 40 JJBB O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(C(F)(F)F)cc1 32910840 OLFGFDLHJIMQMD-UHFFFAOYSA-N 459.380 4.883 5 40 JJBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 408575613 WRUHBUYUPWJMFZ-SFHVURJKSA-N 463.357 4.847 5 40 JJBB O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9122086 AIQOLHXZFQDCTK-JLHYYAGUSA-N 468.557 4.520 5 40 JJBB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c([N+](=O)[O-])c1 9335306 HOMGAOOCPRICFM-GOSISDBHSA-N 459.252 4.796 5 40 JJBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)C(c1ccccc1)c1ccccc1 14273777 LQEPTVJDMIZBHK-UHFFFAOYSA-N 495.004 4.603 5 40 JJBB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)O[C@H](C)C2 15583717 GEOQSZXCDLELSS-NEPJUHHUSA-N 453.417 4.775 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 57317136 LGKAISNZVRJMSD-ONNFQVAWSA-N 470.957 4.595 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224318328 BVWZIXBYQLIGIM-HNNXBMFYSA-N 466.365 4.634 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225644087 AUUAEIMUVHSSQX-VGSWGCGISA-N 475.586 4.689 5 40 JJBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 408529348 CRPOPDRBNVKSIM-RMKNXTFCSA-N 486.072 4.977 5 40 JJBB Cc1ccccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1 3536645 CNFAWXNEXRJLAP-UHFFFAOYSA-N 461.503 4.705 5 40 JJBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 8923731 SOVJSPHAABTQOD-HSZRJFAPSA-N 471.296 4.909 5 40 JJBB C[C@@H](Sc1nnc(CNc2cc(Cl)ccc2Cl)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13423953 ZSFHWVRXVHYZEN-LLVKDONJSA-N 481.365 4.762 5 40 JJBB O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274708 VPQGBNUGBFPZBA-UHFFFAOYSA-N 488.529 4.525 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc(CSc4nc(C)n[nH]4)cc3)o2)c([N+](=O)[O-])c1 20293632 INSWXQZTTYZPEB-UHFFFAOYSA-N 465.491 4.835 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc([N+](=O)[O-])c1O 106726423 QHEOXCNLRWCZQZ-SXGWCWSVSA-N 479.308 4.698 5 40 JJBB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 408700352 DPCDFYYRPMTHQY-UHFFFAOYSA-N 471.560 4.703 5 40 JJBB CC1CCN(C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)c2ccccc2)CC1 8769011 IGFCHNYBNKJNEY-QJOMJCCJSA-N 459.502 4.884 5 40 JJBB C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9166886 HZFWJTDQPDVVOA-SECBINFHSA-N 482.337 4.726 5 40 JJBB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9730586 VTMALPXYFQHBFL-MUUNZHRXSA-N 497.599 4.642 5 40 JJBB biogenic CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14240987 FHYSKBIQVDKNQN-AUUYWEPGSA-N 486.912 4.747 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35889783 WYCBNYHPRJBYPC-ANNHOSHMSA-N 485.565 4.722 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409241762 UQKPXHJQOTYRLW-OEAKJJBVSA-N 487.512 4.974 5 40 JJBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N(CCO)C1=CCCC=C1 409336143 SLBQXGPBWCVMHI-UHFFFAOYSA-N 462.513 4.940 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)nc2N1 940809 AAUURVBRHHBKGE-OAQYLSRUSA-N 487.907 4.829 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13815626 CIEPJQVBYARERO-IPVQETTRSA-N 485.565 4.722 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 786322 CSRLLYJKXQUKEJ-UHFFFAOYSA-N 489.557 4.814 5 40 JJBB CC(C)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 839697 JDZPTMFWLWVKEH-UHFFFAOYSA-N 453.520 4.552 5 40 JJBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 2632220 QKYOVTONDVUQJL-UHFFFAOYSA-N 494.504 4.563 5 40 JJBB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(Br)c([N+](=O)[O-])c1 12770410 CJJYWQKOYFSDDH-UHFFFAOYSA-N 470.327 4.985 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 16037668 GCOCJEDTOZNSAO-QUMGSSFMSA-N 493.519 4.610 5 40 JJBB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18102910 HVHAQXLUHGXITG-VXNXHJTFSA-N 471.513 4.943 5 40 JJBB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 32116695 UHOUYAJWLPZDMH-UHFFFAOYSA-N 450.470 4.731 5 40 JJBB O=C(O)/C(=C/c1cc(Br)cc([N+](=O)[O-])c1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632027 CQGICBNXINOSGO-MLPAPPSSSA-N 497.714 4.719 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 18068587 GJVYHXULAHPFTM-HKBOAZHASA-N 484.295 4.953 5 40 JJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 409351618 VBBAUVIZLIRJRA-FQEVSTJZSA-N 453.568 4.934 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1-c1ccccc1 6280873 AVPXLHRMQSNPKE-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB O=C(Nc1ccccc1N1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 9613545 UCEUFEKZFRFMIQ-UHFFFAOYSA-N 466.925 4.949 5 40 JJBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1 9680333 XFABIMMNQFMPBW-FQEVSTJZSA-N 480.590 4.587 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 20528399 AZKZLTFYNSQIFO-AWNIVKPZSA-N 490.947 4.863 5 40 JJBB Cc1cc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1 102651163 AYTJOGVBVWANGR-ITYMFSOSSA-N 474.565 4.669 5 40 JJBB C[C@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 976355 VKSFZWGWMVEQCY-KRWDZBQOSA-N 475.530 4.874 5 40 JJBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6174542 RXNRGZURASBQFP-ZCYQVOJMSA-N 479.558 4.692 5 40 JJBB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 9885410 LUZRDWIIHRREEH-QFIPXVFZSA-N 471.542 4.955 5 40 JJBB CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101175928 OFCILHBPDUWKEH-VABKMULXSA-N 477.904 4.862 5 40 JJBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225761876 FTTUAMHBGKPSCV-MHZLTWQESA-N 487.600 4.858 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2Cl)cc1 408585414 DDHGRJCOWTVPNF-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 870431 WOEIAPRKSBHWFI-UHFFFAOYSA-N 459.531 4.556 5 40 JJBB CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2910568 TWSPRKKOHCESJU-RGVLZGJSSA-N 476.416 4.696 5 40 JJBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6444217 ZVPIXOCQXUMCON-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc3ccccc32)cc1 8686318 KCGIIZHEPGRIEZ-UHFFFAOYSA-N 464.503 4.682 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC 9446745 SGWKIXWUNBOLGB-OFVILXPXSA-N 498.967 4.849 5 40 JJBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccccc1[N+](=O)[O-])OCc1ccccc1 19911129 DFFPCLXLSPHOFZ-NRFANRHFSA-N 459.458 4.519 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 57316866 WVKMLWBQMAQEFJ-VZUCSPMQSA-N 470.957 4.595 5 40 JJBB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 62588307 QMXZUXLIPDESRW-SKPFHBQLSA-N 481.596 4.978 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2 100890066 PBIORJXJEQIECQ-WOOPDLCSSA-N 464.485 4.894 5 40 JJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Br 408572181 QSLCHHHMYPFSDO-GOSISDBHSA-N 463.357 4.765 5 40 JJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 408575196 SMQWRROOGPEDTC-UHFFFAOYSA-N 483.908 4.647 5 40 JJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c1[N+](=O)[O-] 408603972 HXVUMEWFSOMHQK-NYYWCZLTSA-N 463.368 4.978 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408683233 KWQZUMSJRPAKSL-IRXDYDNUSA-N 476.316 4.634 5 40 JJBB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409129411 GADZXKHGGYNIKO-WOJGMQOQSA-N 478.910 4.519 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409207910 CLHUPRJYKFUUGI-LBFZPMSMSA-N 464.883 4.886 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 409337207 RLCOGYIBNQTJEC-CALCHBBNSA-N 496.570 4.615 5 40 JJBB COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 8835592 VSANNALMIQDOGH-UHFFFAOYSA-N 484.921 4.636 5 40 JJBB CCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O 9302953 YOALDVQZOGGRTN-UHFFFAOYSA-N 477.561 4.522 5 40 JJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccccn1)N1C(=N2)C(O)=Nc2ccccc21 9403933 QOGMFFZUNDOEFR-OAQYLSRUSA-N 451.446 4.725 5 40 JJBB CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 10000254 FWRXIKIVXLHDLN-RUZDIDTESA-N 474.513 4.790 5 40 JJBB Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)c1C 13070869 HHTULCSQXQYWKM-UHFFFAOYSA-N 490.526 4.796 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc2ccccc12 18030419 XGFJOELKMOGKSN-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]12 59433433 MDTZQDXNDUZTLX-ZCOIRKDISA-N 454.482 4.564 5 40 JJBB Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 89623992 OAMTVSJRRNJUCQ-UHFFFAOYSA-N 474.922 4.909 5 40 JJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc13)CC2 223529468 KXVXHPUZPFFINO-UHFFFAOYSA-N 487.537 4.681 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8693868 OGEGNEBPWJKGOI-AWEZNQCLSA-N 482.876 4.672 5 40 JJBB aggregator C[C@H](Sc1ccc(NC(=O)c2ccccc2C(=O)O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22575362 JQCZTZXFADVXJX-AWEZNQCLSA-N 465.487 4.665 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@@H]1CCCN12 408569354 VUVACKKCPDPJNG-FCRYVSRXSA-N 489.959 4.974 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 408571012 MSXHALUUQCFAMN-IBGZPJMESA-N 493.383 4.856 5 40 JJBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409099748 TXLOINQCFWYUFR-SRZZPIQSSA-N 479.514 4.586 5 40 JJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 409335110 XNUSHHALPXIJHR-HXUWFJFHSA-N 453.568 4.934 5 40 JJBB COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 3405127 UAAZQDAFMQIQIW-UHFFFAOYSA-N 483.860 4.536 5 40 JJBB COc1ccc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)cc1S(=O)(=O)NC(C)C 8824543 SMTZLXRAZNMEOX-FYWRMAATSA-N 490.581 4.840 5 40 JJBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)nc2c1 9304805 SJTBNLORIWUFPC-UHFFFAOYSA-N 488.500 4.814 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1C 409340902 BWWRVVRBBYWLIQ-LPYMAVHISA-N 490.541 4.736 5 40 JJBB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 8922780 QECQEXCTBLACAW-DEOSSOPVSA-N 450.878 4.564 5 40 JJBB COc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1Br 9492634 ZYAUHZASZDMFMS-UHFFFAOYSA-N 493.339 4.614 5 40 JJBB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 10970751 JVVXCOSOFXCWTF-UHFFFAOYSA-N 489.351 4.570 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccccc1[N+](=O)[O-] 12377960 FVDKMCGREKRZGS-QHCPKHFHSA-N 482.500 4.790 5 40 JJBB CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 16692360 OQVZAOHJJWEGSB-UHFFFAOYSA-N 457.836 4.628 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519244 IQEGCBKLGKPGQO-TUGCOKMYSA-N 489.528 4.553 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307652 DICDTGNVYWHHSF-QTZVNIFKSA-N 489.528 4.553 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225138810 GGIKYDXGQCFZPV-QGZVFWFLSA-N 478.014 4.815 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccccc2)C1 253564581 GRIMKADDUJTWRC-CUNXSJBXSA-N 480.609 4.601 5 40 JJBB Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408665459 FKEOEFCTVSBRMH-UHFFFAOYSA-N 491.500 4.905 5 40 JJBB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Br 408674821 IUNWYOZETAKATG-UHFFFAOYSA-N 461.341 4.535 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1C 409211008 LQSBJHDLHSYLGG-MFOYZWKCSA-N 490.335 4.649 5 40 JJBB CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1422929 QUFWRJRXMSGILR-GOSISDBHSA-N 482.345 4.865 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 9087933 RYAHVHBGHKSZTJ-WWPJHQMMSA-N 491.503 4.968 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9312795 FPWJGVZMUJRDLG-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1Br 9512332 IYRMNAFTPZHZAN-UHFFFAOYSA-N 466.342 4.683 5 40 JJBB C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111833 GLANWWBUQAZCRJ-IBGZPJMESA-N 495.601 4.965 5 40 JJBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120394 CDNDIFWAXGRGTR-UHFFFAOYSA-N 486.528 4.786 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 12274607 PQWLOXJMHDGCQY-HXUWFJFHSA-N 452.850 4.963 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13815622 CIEPJQVBYARERO-QRXMYIDTSA-N 485.565 4.722 5 40 JJBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1Cl 39612096 CWNRTFOBWWYDEE-QFIPXVFZSA-N 477.904 4.814 5 40 JJBB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 57316963 KJYJRRATRYGQQU-VQHVLOKHSA-N 454.899 4.629 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138058 CMSGLDKPEQOAIW-WCJKSRRJSA-N 470.909 4.867 5 40 JJBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2)cc1 408568273 SWZFHOQVBVDZBF-QALYSUAOSA-N 469.541 4.629 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(SCc3ccccc3)nc2N1 6144741 GYEQTUWGSDBRQY-QFIPXVFZSA-N 499.556 4.801 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060408 CURHWWJWBBIZPA-FGZHOGPDSA-N 455.474 4.576 5 40 JJBB C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1Cl 11277305 UEVOUAAERHBYIN-AWEZNQCLSA-N 452.869 4.518 5 40 JJBB COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(C)cc1[N+](=O)[O-] 12588675 HAIIXGIGETTXOK-UHFFFAOYSA-N 490.541 4.650 5 40 JJBB O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccccc1Cl 22717883 IPOICZQXPVOKTJ-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 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CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 40717732 IRPWMIRCSSCHKO-UHFFFAOYSA-N 476.533 4.802 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(F)ccc1NC(=O)c1ccccn1 59352747 HVEUHJKLMHHVMX-UHFFFAOYSA-N 466.472 4.580 5 40 JJBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccccc1OCC 408993330 WENKYDPBQQSKAA-NRFANRHFSA-N 455.536 4.764 5 40 JJBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1Cn1cc([N+](=O)[O-])cn1 9008858 JDXKMPQZTCHOQC-DEOSSOPVSA-N 473.464 4.758 5 40 JJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998307 WZHLRQNULXQDBK-UHFFFAOYSA-N 486.550 4.537 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408668311 VXBXWKHSSQDTCG-CSKPTYFESA-N 465.292 4.692 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408919035 RWBRMKJGXCXNHC-ZKKFKWFVSA-N 489.325 4.806 5 40 JJBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1CCCc1ccccc1 409132397 ZPSMYPMNSUKQDI-MHWRWJLKSA-N 463.309 4.732 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409177105 ARHYCBXBCDFPAE-ZRDDSIGQSA-N 493.288 4.637 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409250970 ZBNDBEBNMORDKH-RGVLZGJSSA-N 497.460 4.678 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)c(C)c2)cc1 409312420 LQVOPGOCWWHOHP-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2439217 AKIOLUMSJMRUCG-INIZCTEOSA-N 471.561 4.834 5 40 JJBB Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1-c1ccccc1 9616876 LELYKVBSXZOCRY-CYBMUJFWSA-N 466.548 4.727 5 40 JJBB CN(C)[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 12631142 HNFXULIAWRNTKV-GOTSBHOMSA-N 452.942 4.821 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 13476416 MTBCJADFJXKJJT-UHFFFAOYSA-N 468.804 4.686 5 40 JJBB Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4s3)cc2)cccc1[N+](=O)[O-] 14270507 FGOQKHYNYSVURU-UHFFFAOYSA-N 462.556 4.984 5 40 JJBB COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1Cl 16753849 MRAFSIORHDJEDQ-UHFFFAOYSA-N 451.803 4.550 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408730628 GRACRZGYACRUJA-ZFILCQGISA-N 494.503 4.733 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c(C)c1 14831567 BELGYUAIEKNDGV-NTUHNPAUSA-N 451.504 4.664 5 40 JJBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 32854085 JFDMLXXHVCGNNY-NIYFSFCBSA-N 489.528 4.928 5 40 JJBB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 33649879 ONXJFUJULFJSEH-UHFFFAOYSA-N 480.609 4.610 5 40 JJBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 39747648 BJPUQKUGEPMQKY-UHFFFAOYSA-N 490.457 4.526 5 40 JJBB CC(C)n1ncc2c(-c3cc4cc5c(cc4[nH]c3=O)OCO5)c3oc4cc(O)ccc4c3nc21 96114351 CVJVNVQFWKZZCK-UHFFFAOYSA-N 454.442 4.854 5 40 JJBB biogenic COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 100821766 ZZANMYVURWTKRN-SFHVURJKSA-N 498.948 4.628 5 40 JJBB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409029307 YTWDBEVNLNMLLA-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Br 9245524 VZGWLEZDXAVSJI-UHFFFAOYSA-N 468.720 4.527 5 40 JJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C 9699027 JUQLORGLRQEKGR-LJQANCHMSA-N 457.531 4.765 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060294 BVVAEYXHSTXRQL-PKTZIBPZSA-N 455.474 4.576 5 40 JJBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 10119904 VMMCEZRPGZXMSU-UHFFFAOYSA-N 486.922 4.890 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 16637140 NHJMEZZVFFNFHU-UHFFFAOYSA-N 464.931 4.512 5 40 JJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20142656 QGXIAWYJYSVYBU-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1 20489252 NQYQIPKUWXQGKU-UHFFFAOYSA-N 453.520 4.945 5 40 JJBB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21 27530931 IKFWPNXWDLHXNR-JWGURIENSA-N 466.497 4.900 5 40 JJBB CCN1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229376 SYEDFSMIBYTNEO-UHFFFAOYSA-N 457.745 4.949 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102724480 FPWJGVZMUJRDLG-HBMCJLEFSA-N 484.295 4.953 5 40 JJBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 408600069 STNMTPIZHFFJOS-HNNXBMFYSA-N 488.562 4.780 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409200646 JENOCFAFRYTPRS-VIZOYTHASA-N 496.726 4.686 5 40 JJBB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc21 9282778 IGZJUIUVGNYNLO-UHFFFAOYSA-N 461.547 4.574 5 40 JJBB O=C(CCSc1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14827095 KREBSILEMRDEQN-UHFFFAOYSA-N 483.980 4.658 5 40 JJBB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 14923275 PFLDACDBUQACJQ-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=C(COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 15981314 GYZUPSJULNYFTI-UHFFFAOYSA-N 499.751 4.880 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 33719455 PIHWZSSHCMEQBB-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 57317148 XEYNGGKCCCANGL-UHFFFAOYSA-N 476.533 4.802 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223475020 PVRZUSYXVIJNFV-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225495102 PZRJMERRXBVPGR-XXBNENTESA-N 471.623 4.859 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 13810954 BZPAHXGGPZOEPF-VJBWXMMDSA-N 477.904 4.916 5 40 JJBB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 20796314 HMMMEKYTDQITPU-HNNXBMFYSA-N 465.922 4.891 5 40 JJBB COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 22744991 MKYGAIRKWVCARU-UHFFFAOYSA-N 487.129 4.990 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)C1 409330934 ATPQSHZBQYINED-MRXNPFEDSA-N 461.591 4.508 5 40 JJBB Cc1ccccc1-n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 3412367 NJFPRPCFNUBGON-UHFFFAOYSA-N 471.502 4.888 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 9064586 HWUDOMZPRNTJLI-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB COc1ccccc1CNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897834 LPOCSNSEKZDZGQ-UHFFFAOYSA-N 492.488 4.958 5 40 JJBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808549 YVWKYIBSZJVZBR-LERMDLETSA-N 467.934 4.685 5 40 JJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 84372360 YZHWPYUPXXEOCU-IBGZPJMESA-N 459.836 4.565 5 40 JJBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565377 KAMVDAGBUQBGQL-JXRAHNLSSA-N 487.556 4.541 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409245873 AFAPYRLKEMYTPN-OEAKJJBVSA-N 487.512 4.974 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-])CC2 12810226 YUCYPSNMYGEORC-VWLOTQADSA-N 481.574 4.877 5 40 JJBB C[C@H]1CN(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 13525968 NSVIJPBQLIMCRI-OKILXGFUSA-N 498.479 4.557 5 40 JJBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 14276301 SKNSKXAYKHHRSA-UHFFFAOYSA-N 481.622 4.948 5 40 JJBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820573 GHLHCNTYFJXKOP-ZEQRLZLVSA-N 484.512 4.568 5 40 JJBB O=C(O[C@@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 30691722 ASMXXROZKSBQIH-QHMKHHNBSA-N 484.663 4.667 5 40 JJBB world O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc12 102711914 CFLOBRJPPPOLTK-SDHSZQHLSA-N 465.465 4.799 5 40 JJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224849538 MNQZOXDHIDJLCD-VWLOTQADSA-N 493.991 4.955 5 40 JJBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C 408657530 UMCNIDMXFXSAOE-HXUWFJFHSA-N 488.496 4.783 5 40 JJBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409361022 PSTCVUQSBTXYIY-APSNUPSMSA-N 466.302 4.885 5 40 JJBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 16639170 JYWUHQSJSHBVLJ-UHFFFAOYSA-N 466.582 4.726 5 40 JJBB CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccccc3)C(=O)N=C2O)[C@H]1C(C)C 17028253 QABPEIJJCONUHH-BWKNWUBXSA-N 464.522 4.748 5 40 JJBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(Cl)ccc1Oc1ccccc1 25387807 KZPWZVKJPNWTIN-UHFFFAOYSA-N 466.925 4.801 5 40 JJBB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223922995 ZMGQZERBWWSFBU-CQSZACIVSA-N 484.405 4.688 5 40 JJBB O=C1N/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 408933009 GOWAXFQUBLHBAE-NDENLUEZSA-N 463.877 4.920 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1[N+](=O)[O-] 915377 YSHLESLTHJOBQX-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 2250009 ZOMLJXWZWGWKFZ-UHFFFAOYSA-N 453.502 4.575 5 40 JJBB Cc1c([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cnn1-c1ccc(F)cc1 32801582 JFBVUBOOGOMVMC-QGZVFWFLSA-N 454.505 4.665 5 40 JJBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc1)=NCC2 35623009 DJWXJRCCXMTMPE-UHFFFAOYSA-N 478.480 4.983 5 40 JJBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccc(Cl)cc1 39751606 WIMXCTFKIMIQKO-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 205774623 AWOFUAYAFXLWMG-LZYBPNLTSA-N 482.392 4.615 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 408566376 FMBVRUZUXDRFRD-HXUWFJFHSA-N 478.958 4.755 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 408696328 ZTMDHLUVORCGRO-UHFFFAOYSA-N 482.269 4.996 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Cl 409184201 YDHYFMLKYGBOCF-APSNUPSMSA-N 466.302 4.885 5 40 JJBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 9423408 ADZOOHXXDUAGPM-UHFFFAOYSA-N 474.473 4.506 5 40 JJBB O=C(CCCSc1ccc(F)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 10218148 DZUVJARTZLWKPE-UHFFFAOYSA-N 460.556 4.565 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 13839003 PDNBSQMPNIOSDX-PKTZIBPZSA-N 455.474 4.576 5 40 JJBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223333333 UENAUWWMDOKTGE-HNNXBMFYSA-N 466.365 4.778 5 40 JJBB CC(=O)O/N=C(/C)[C@H]1[C@H](C[N+](=O)[O-])C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 5225416 YLMHXCVWMFRELH-LOLTYDPTSA-N 474.598 4.939 5 40 JJBB biogenic CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCCCC 5665130 IFILWLJINXDARU-HJOGWXRNSA-N 498.532 4.572 5 40 JJBB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(O)cc2)cc1 6177389 UMYMOYJOGPDDIB-OAHLLOKOSA-N 491.529 4.676 5 40 JJBB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2cccs2)ccc1F 9569337 BJVPDJNAQSPSRA-IBGZPJMESA-N 482.942 4.702 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060301 NATOKUDHFORUJM-GOTSBHOMSA-N 455.474 4.576 5 40 JJBB CCOc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c([N+](=O)[O-])cc1OC 25092870 GMVNYCLAXQNBNM-UHFFFAOYSA-N 450.451 4.898 5 40 JJBB CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc2nc3c4ccccc4c(=O)c(O)c-3sc2c1 25694036 RMCXJEISTYKBCM-UHFFFAOYSA-N 492.578 4.893 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409239204 OUQVDHKYAZEMSU-CIAFOILYSA-N 473.485 4.584 5 40 JJBB CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 409325408 YHRFWMKAOMPHJU-UHFFFAOYSA-N 467.547 4.608 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092557 YLAHARPFSUADOY-HSZRJFAPSA-N 493.581 4.862 5 40 JJBB biogenic O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(S(=O)(=O)N2CCCCCC2)c1 2725876 XUMMWNYJQOEVNA-UHFFFAOYSA-N 491.565 4.868 5 40 JJBB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6135642 PGXDTXOIAQDMRO-CYBMUJFWSA-N 494.499 4.956 5 40 JJBB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1 8778896 BAMCPSVOFATWIT-CQSZACIVSA-N 459.911 4.540 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])nc3ccccc3c2=O)cc1C 9912391 BLUUKYJOVWOOTA-UHFFFAOYSA-N 478.505 4.781 5 40 JJBB CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16575800 GMCHHUKPLDAOPF-UHFFFAOYSA-N 480.512 4.574 5 40 JJBB CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 3404306 YSSNSBHNGKXRLC-FQEVSTJZSA-N 458.971 4.826 5 40 JJBB CCOC(=O)c1c(CNc2ccc([N+](=O)[O-])cc2)n(C)c2cc(Br)c(OC(C)=O)cc12 4015339 BYGOSCXXZVBLLO-UHFFFAOYSA-N 490.310 4.563 5 40 JJBB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cccc2c1=O 8687536 YISLRSIFEGJCKN-UHFFFAOYSA-N 469.497 4.639 5 40 JJBB aggregator O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 8878582 CMSGLDKPEQOAIW-RLWDANHASA-N 470.909 4.867 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(C)cc(C)c2)cc1 19856594 UZXHOVNSFWWPJO-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153069 XXIWYMKOZSSMTF-UHFFFAOYSA-N 494.573 4.773 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 138616099 GHOONJYGIIHUAT-ASUYLVSUSA-N 488.327 4.656 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409182392 LEZDZNMEERSBJH-UHFFFAOYSA-N 451.287 4.987 5 40 JJBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Cl 4125319 HWJLEROZGCGJEN-UHFFFAOYSA-N 472.973 4.600 5 40 JJBB COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OC 12442068 RJLYVMSBAHZTGH-UHFFFAOYSA-N 483.481 4.621 5 40 JJBB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 13070965 YRUBJLVDFWBJOR-CMDGGOBGSA-N 486.527 4.757 5 40 JJBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1 16995465 VIIUZRFDNPKPBJ-DPOVEGGPSA-N 468.897 4.519 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102733484 BNRPMTUMQDZPAK-HBMCJLEFSA-N 484.295 4.953 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409044453 CGQSRBPVQJCNRD-LPYMAVHISA-N 492.509 4.926 5 40 JJBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O 409182673 NAXBQYXUISMQSD-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(F)c1 409247608 IPLYLAVQCGYQHU-YBFXNURJSA-N 467.434 4.669 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678494 PBJSZSZIRDKLSR-HXUWFJFHSA-N 484.295 4.748 5 40 JJBB Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 3228827 HLSSKIYQVNCPCR-UHFFFAOYSA-N 480.937 4.930 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 3668380 GOLRPYWOPDWENP-MSVKLTOBSA-N 468.509 4.651 5 40 JJBB Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@H]3Sc4ccc([N+](=O)[O-])cc4[C@H]2N3C)cc1 15188028 MACLCUAUEDKUJH-VXKWHMMOSA-N 453.545 4.847 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 21124305 SWCDXFIOIMQNQN-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408848014 WNWACVUKNMRZKR-KGENOOAVSA-N 472.453 4.866 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409343719 GBUVWDVTZNBZFC-UHFFFAOYSA-N 457.899 4.829 5 40 JJBB COc1cc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)cc1[N+](=O)[O-] 9561739 COTTXPXJKPVGMH-UHFFFAOYSA-N 477.498 4.984 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9589323 ANZZPWDZJUJQNT-UHFFFAOYSA-N 492.768 4.594 5 40 JJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9714936 YXAAKGUEGQAMJI-UHFFFAOYSA-N 498.517 4.911 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 21123769 BGJXBKYTCGKOSG-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(N(C)Cc3ccccc3)c(F)c2)c1[N+](=O)[O-] 96028288 CPELRHANEAJYQU-UHFFFAOYSA-N 497.454 4.890 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408689522 YKXPUWLBVVWSKN-DUXSXAKTSA-N 488.327 4.656 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21)c1ccccc1 409371142 GKPWHRFHOCUNQQ-NBJYBMASSA-N 465.303 4.752 5 40 JJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 13871355 PQYKIABQSUAQBD-CYBMUJFWSA-N 475.958 4.810 5 40 JJBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224932667 KTGUFMAZXRYBCQ-IBGZPJMESA-N 499.633 4.703 5 40 JJBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916312 BQJTVFVWGFZBSH-XDHOZWIPSA-N 450.432 4.530 5 40 JJBB CC[C@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(OC)cc4)n32)CO1 2446958 ZAZWMNNQCZEJQH-JOCHJYFZSA-N 466.592 4.529 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 35272012 GKCOGAYKGCRVCH-UHFFFAOYSA-N 499.892 4.536 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409098392 OPJXWGWHCYVJBC-VXLYETTFSA-N 479.876 4.933 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 976265 FTTVTFKHFOHEIR-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 12421532 WOLAKQCOOGPUTO-UHFFFAOYSA-N 479.439 4.596 5 40 JJBB COc1ccc2c(C)cc3nnc(Sc4ccc(S(=O)(=O)C(F)(F)F)cc4[N+](=O)[O-])n3c2c1 12644092 OBAWIYCMXBXTPA-UHFFFAOYSA-N 498.464 4.552 5 40 JJBB Cc1ccc(-n2nc(C)c(S(=O)(=O)c3ccccc3)c2OC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 13097534 FVXRKPPDDCGZQE-UHFFFAOYSA-N 491.525 4.758 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 14405122 IFLVEVMVEGJEPT-UHFFFAOYSA-N 455.474 4.902 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 103140250 YQAIIBRNBTWWED-ILBGXUMGSA-N 484.512 4.556 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661593 RAYMEGUYZNCKGJ-JUJAOGAQSA-N 495.318 4.701 5 40 JJBB Nc1ccc(C(=O)OCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)cc1[N+](=O)[O-] 13040842 DNFHNHJFRUDIGU-JOCHJYFZSA-N 485.290 4.904 5 40 JJBB O=C(NC(=S)Nc1ccccc1I)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14274103 QWJWXWJNAXRAGU-UHFFFAOYSA-N 493.282 4.586 5 40 JJBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc1)=NCC2 33416693 KJOXAVSGTRUAFU-UHFFFAOYSA-N 478.480 4.983 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N(CC)c1ccccc1 408606152 OWKAFCMMNJEDMR-WYMLVPIESA-N 451.479 4.892 5 40 JJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408682510 JKAAPBOFCHAGPM-JOCHJYFZSA-N 471.918 4.855 5 40 JJBB COc1ccccc1Cn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 9461147 CQWUBXIPFLPDOE-UHFFFAOYSA-N 456.418 4.520 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399969 GLJRPQZQIBPKTM-UHFFFAOYSA-N 463.471 4.734 5 40 JJBB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 95079685 CADIJTHMWDIOPX-UHFFFAOYSA-N 460.233 4.591 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3Cl)C2=O)cc1 102745374 BOPVQJYHDXWSQO-FDFHNCONSA-N 463.877 4.608 5 40 JJBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1Cc1ccc(Cl)cc1 214178908 DXQFBHJQCUPMRA-MKMNVTDBSA-N 469.700 4.953 5 40 JJBB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408639402 FZVNFBWUICDABB-LBPRGKRZSA-N 466.719 4.619 5 40 JJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCOC(C)C)C3=O 1880370 ZTQJOJLRIZZMEJ-QFIPXVFZSA-N 450.491 4.678 5 40 JJBB O=C1S/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2992924 SNIANHRLHPTUGH-AUWJEWJLSA-N 469.700 4.953 5 40 JJBB Cc1cc(C)n(-c2cnc3cc(-c4cnn(C)c4C(F)(F)F)nn3c2-c2cccc([N+](=O)[O-])c2)n1 8873584 DAOAWILHKMHQEI-UHFFFAOYSA-N 482.426 4.526 5 40 JJBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)n2CC 12529383 YZDKWYNSSXRGRP-UHFFFAOYSA-N 479.562 4.741 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N(Cc1ccccc1)Cc1ccccc1 13146220 SFNUXBFMKIYRPP-UHFFFAOYSA-N 451.548 4.586 5 40 JJBB C[C@H]1CN(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 13525972 NSVIJPBQLIMCRI-KBPBESRZSA-N 498.479 4.557 5 40 JJBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 35165744 SOHLPJRJYDTVKJ-KWNHSTDBSA-N 488.931 4.552 5 40 JJBB O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36311735 KMUSJELYDWZHEY-ZGXDEKTJSA-N 489.528 4.553 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1C 409353743 QSAZBQWKJJGEMR-LPYMAVHISA-N 490.541 4.736 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 6280137 ACNKZACTUHESHA-UHFFFAOYSA-N 489.557 4.814 5 40 JJBB CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 26121597 RGCVIDFHSMRNAU-UHFFFAOYSA-N 465.554 4.604 5 40 JJBB O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2ccccc12 55398859 GHHQUFWWJHZDAI-UHFFFAOYSA-N 473.451 4.746 5 40 JJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 89637208 ZETAWWJQHGPTPO-UHFFFAOYSA-N 460.895 4.601 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102773120 IQEGCBKLGKPGQO-ZGXDEKTJSA-N 489.528 4.553 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 863635 FHPOBTXBLCDPHU-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB COc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)n2)cc1 9127984 FHRHIDNNUBISKZ-IBGZPJMESA-N 488.953 4.773 5 40 JJBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 9883949 WWRGMSKFJPVWCW-UHFFFAOYSA-N 482.876 4.666 5 40 JJBB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16044195 DVGUHAGJXUGVQG-LBPRGKRZSA-N 476.407 4.961 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC 19929383 GWHRKBSCEFCTBW-UHFFFAOYSA-N 461.931 4.574 5 40 JJBB Cc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 2720963 BPPKHIIUKXSNQA-UHFFFAOYSA-N 485.525 4.814 5 40 JJBB CCn1c(CNc2cccc(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878544 PBMNRRFCLYKKLN-CYBMUJFWSA-N 460.947 4.591 5 40 JJBB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9592424 OFOYANUKCPVIOL-UHFFFAOYSA-N 460.364 4.782 5 40 JJBB Cn1cnnc1Sc1ccc([N+](=O)[O-])c(-n2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1 9971839 KQDHIJRNTAUZDV-UHFFFAOYSA-N 490.932 4.894 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 102708239 ZZGDUMSFNPCPEV-ZJOUEHCJSA-N 484.295 4.953 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 6280810 DFXFPDJOLIWJMX-INIZCTEOSA-N 475.530 4.976 5 40 JJBB COc1ccc(NC(=O)/C=C\c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1OC 9087701 ZAWPGXVOHCFEJS-TWGQIWQCSA-N 465.418 4.964 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 9507865 MOFOFKWHUMAQNR-UHFFFAOYSA-N 493.520 4.780 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCCCC1 205790094 KBVBZVJZOPOKNQ-WOJGMQOQSA-N 475.910 4.557 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224644299 OLNJLGAMXNDHCX-LJQANCHMSA-N 469.607 4.694 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(Cc4cccs4)n3-c3ccccc3)c1)OCOC2 2656958 BUAQOQKGZYXCGE-UHFFFAOYSA-N 466.544 4.987 5 40 JJBB Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1cc2ccccc2oc1=O 4088039 USMOKTJDNZUEAX-UHFFFAOYSA-N 459.483 4.803 5 40 JJBB C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 9411177 BQRZUJOAIBJIQW-NOEGTZNFSA-N 493.519 4.550 5 40 JJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CC[C@H](CC)C2 9968812 VJLGMWBBYKLAMH-HNNXBMFYSA-N 482.562 4.845 5 40 JJBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 13632899 VZXPLFPYKZTVNR-UHFFFAOYSA-N 478.549 4.941 5 40 JJBB COc1ccc(CN(CC(F)(F)F)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 22142173 ZEAZRODCKXIKFB-UHFFFAOYSA-N 454.448 4.754 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223478430 UETXZHPFEQSRNL-DNQXCXABSA-N 487.541 4.826 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223991450 SWXJQADBMNHUNK-HSZRJFAPSA-N 487.622 4.560 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408681267 HNBSLZUQZVTZHM-IRXDYDNUSA-N 476.316 4.634 5 40 JJBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc1C2 409054574 SLZONRSERVUBTE-UHFFFAOYSA-N 491.279 4.554 5 40 JJBB CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@@H](C)C2 2601659 WYGKLADCMGSXQP-LLVKDONJSA-N 468.963 4.535 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9271805 IFNNTLRWUOBOLE-BUZMGHMJSA-N 499.910 4.521 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(I)cn1 16450596 KHOAKURIRLXMRI-JXMROGBWSA-N 461.215 4.506 5 40 JJBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1 20153241 XCBWPRSKWAJUJH-UHFFFAOYSA-N 494.573 4.773 5 40 JJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223273735 CULDYRVACFDRIS-XMMPIXPASA-N 479.964 4.567 5 40 JJBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224542809 SCMCDXFAVUMZIU-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB C/C=C1/C[N@+]2(Cc3nc(-c4ccccc4)no3)CC[C@@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@@H]42 524729610 AIOJZLRCKQFELB-SGLCOOTISA-O 467.549 4.977 5 40 JJBB biogenic O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 2634360 GXXDLQJUVYVECJ-UHFFFAOYSA-N 469.910 4.879 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 9368862 ZPGMALCKNWWXRU-VOMDNODZSA-N 458.430 4.807 5 40 JJBB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9891973 ZGQRFYFXZASGKI-UHFFFAOYSA-N 496.486 4.777 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060299 NATOKUDHFORUJM-XZOQPEGZSA-N 455.474 4.576 5 40 JJBB O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12532170 QRWDRMUBNRZFMK-UHFFFAOYSA-N 483.883 4.707 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1Cc1ccc(Br)cc1 12609349 OXLKUFWDPUVJQZ-UHFFFAOYSA-N 487.357 4.801 5 40 JJBB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O2)cc1 16321183 ZMKBDNHZGCJPSN-YBFXNURJSA-N 496.273 4.920 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 35132479 GWJVIADYVQTXQI-FRKPEAEDSA-N 452.847 4.728 5 40 JJBB COCCn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(Br)ccc21 100872546 DBRJOFMKBSATPG-VZCXRCSSSA-N 492.376 4.976 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225558211 KQNDWEQZPWEGGW-WMZHIEFXSA-N 471.623 4.859 5 40 JJBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)cc([N+](=O)[O-])c1C 409209484 BWNKDVNXJCSWJY-DJKKODMXSA-N 458.492 4.707 5 40 JJBB O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8898701 BQQPYIVLKZBGLG-UHFFFAOYSA-N 489.915 4.984 5 40 JJBB CCCCn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 9283467 NIXIXYZLNZOXLR-UHFFFAOYSA-N 459.503 4.532 5 40 JJBB Cc1cccc(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)S(C)(=O)=O)c1 10357731 RFUUEFKVHCIIHT-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCN(Cc2ccccc2)CC1 11740461 NYKOQTHIHGNUAS-UHFFFAOYSA-N 490.526 4.565 5 40 JJBB COc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 16194484 GDDHEWSZLIHBGN-UHFFFAOYSA-N 493.583 4.984 5 40 JJBB CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 68885770 MTAXIYGNAYHJPE-GFCCVEGCSA-N 483.575 4.853 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 101194413 DDQWRVUFIHYGNV-SDHSZQHLSA-N 487.512 4.825 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408566084 MTJYGINMOFYIKJ-RTFLAGNKSA-N 481.911 4.626 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409175985 WLRNRPYOTQTJKD-UNOMPAQXSA-N 482.905 4.714 5 40 JJBB COc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c1OCc1ccc(Cl)cc1Cl 409342509 FLVTYFMPFBAVJB-VURMDHGXSA-N 464.261 4.861 5 40 JJBB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2674960 CXQACENVVWDSKW-UHFFFAOYSA-N 460.471 4.546 5 40 JJBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 8832535 DNVHNMKGNUQEPM-UHFFFAOYSA-N 462.506 4.556 5 40 JJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc(OC)cc1 8868905 DZKGQEWOAQWCNQ-UHFFFAOYSA-N 461.411 4.762 5 40 JJBB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8880898 DTERJVAORWCWDH-UHFFFAOYSA-N 486.435 4.993 5 40 JJBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14271312 UYEJSOVGVQBATJ-UHFFFAOYSA-N 467.595 4.702 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 4786741 NZDZHDZQNBEVCA-QHCPKHFHSA-N 455.474 4.881 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 32124866 QVNOBOSXIIJVNQ-MFOYZWKCSA-N 468.915 4.708 5 40 JJBB CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409140686 HXEMOIIZEMMCTQ-UHFFFAOYSA-N 467.547 4.554 5 40 JJBB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 9634793 IJKPKRHBDVLGIJ-UHFFFAOYSA-N 481.306 4.925 5 40 JJBB Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1cc([N+](=O)[O-])ccc1Cl 10059674 RHWOHLRFXVMRCF-QGZVFWFLSA-N 479.711 4.861 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060410 CURHWWJWBBIZPA-FCHUYYIVSA-N 455.474 4.576 5 40 JJBB O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 14945368 PIERYNMVCAMDAW-UHFFFAOYSA-N 455.883 4.820 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccc([N+](=O)[O-])cc1)[C@]21C(=O)N(c2ccccc2)N=C1C 16607469 YTKVKPSZZLYYEO-KAYWLYCHSA-N 479.496 4.510 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 408573253 AAWOLDGXZTXMOG-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] 409331329 AWHMKZJQOQSYHI-GJZGRUSLSA-N 496.570 4.615 5 40 JJBB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 9691638 ZPWYADAJUYGXJT-VWLOTQADSA-N 459.498 4.940 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 16637112 WGAQFXZHAQQQCQ-UHFFFAOYSA-N 455.323 4.767 5 40 JJBB Cc1nc2ccccc2c2c(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)c3ccccc3n12 25316548 SMCYBVRANDPIDJ-UHFFFAOYSA-N 489.535 4.837 5 40 JJBB CC(=O)N1CCN(C(=O)/C=C\c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1 37858894 HTGGAYLWTDOFDK-LUAWRHEFSA-N 453.564 4.573 5 40 JJBB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)oc1ccccc12 58219018 BOKQNHQJHMNFNQ-QGZVFWFLSA-N 474.517 4.652 5 40 JJBB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409180039 VPPDBIHLZPDLCJ-UHFFFAOYSA-N 451.287 4.987 5 40 JJBB O=C1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2685943 JUKDCPTZLWHCQH-OAQYLSRUSA-N 457.820 4.710 5 40 JJBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 3664894 DZXQNSSZFNLLLJ-UHFFFAOYSA-N 456.794 4.988 5 40 JJBB CCCCOc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16639309 AHWROANKGMGCEO-UHFFFAOYSA-N 451.445 4.755 5 40 JJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222557152 NPZWKWXUBNGGFC-OAQYLSRUSA-N 478.014 4.813 5 40 JJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225490881 RNOLRRURXLXHGC-AREMUKBSSA-N 491.563 4.833 5 40 JJBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(O)cc2)C3=O)c1 408994100 FRJONWWVGJXBSC-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2cccc(OC)c2o1 409360279 ZRICIEQDOKHFAF-UHFFFAOYSA-N 467.507 4.667 5 40 JJBB CCOc1cc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2OC(=O)c3ccccc32)ccc1OC 984551 HJDFEEYYRRDUFE-DHIUTWEWSA-N 463.442 4.812 5 40 JJBB CCOC(=O)c1c(N)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c2nc3ccccc3nc12 3187818 JGNOUEZOGZTMOY-UHFFFAOYSA-N 453.458 4.908 5 40 JJBB Cc1csc(Sc2ccc(C(=O)OCC(=O)NCCC3=CCCCC3)cc2[N+](=O)[O-])n1 3298294 NFILGDFQZVJUHV-UHFFFAOYSA-N 461.565 4.674 5 40 JJBB O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 9119541 NEUFEZIFNFPYEY-UHFFFAOYSA-N 462.483 4.598 5 40 JJBB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9847131 YIMZQFBBNLDTDY-UHFFFAOYSA-N 456.506 4.716 5 40 JJBB COc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 16227838 CRPQSPWASXZZBX-UHFFFAOYSA-N 454.489 4.600 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc3cc([N+](=O)[O-])ccc3[nH]1)CC2 40157223 QVAVYXXLHUCSBU-QHCPKHFHSA-N 463.515 4.943 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106715845 VSINZZUVVPAMFR-ODLFYWEKSA-N 494.356 4.975 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409161806 ZIXFGDHRTSXSLB-UHFFFAOYSA-N 454.508 4.519 5 40 JJBB Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 409189660 MLGADIBFJUINQK-CEFCJMCMSA-N 454.438 4.867 5 40 JJBB CCOc1cc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc(OCC)c1OCC 2476119 WGFVGXHRSGSFDL-UHFFFAOYSA-N 498.561 4.976 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O 10331079 ODBMJRZXDLMKBA-UHFFFAOYSA-N 489.937 4.754 5 40 JJBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCC(C)CC1 26119413 VJDKFUGTYDFOAD-UHFFFAOYSA-N 483.999 4.643 5 40 JJBB CCOc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 32690733 PPNPGHICZKTISH-YVMONPNESA-N 478.288 4.839 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101143950 PNRAUUFHWKLZIG-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB O=C(COc1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 951692 PQXFBJUEVAOFII-HKBQPEDESA-N 488.387 4.852 5 40 JJBB COc1cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc(OC)c1OC 10120213 QMGGJFUNURYHOO-UHFFFAOYSA-N 463.446 4.990 5 40 JJBB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 12590644 XTWPGJKZWXANHU-UHFFFAOYSA-N 478.559 4.907 5 40 JJBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 19929250 VAVRPJNTVUZQMV-UHFFFAOYSA-N 482.305 4.641 5 40 JJBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C 22712595 HFFUWYLKKYVBJQ-UHFFFAOYSA-N 476.514 4.912 5 40 JJBB O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 1224397 POGQRRBQFQIUPB-UHFFFAOYSA-N 493.932 4.926 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)cc1 3223295 UNDRWVTXLJIALL-UHFFFAOYSA-N 480.933 4.987 5 40 JJBB O=[N+]([O-])c1cc(Br)c(OCc2nnc(-c3ccccc3)o2)c(Br)c1 3281853 MNEYIZPSDCZPRS-UHFFFAOYSA-N 455.062 4.749 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1 3288305 MCIRLFAXLUNNCG-JDFRZJQESA-N 463.581 4.609 5 40 JJBB CN(Cc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 8685115 CIUXZABXCCLQKZ-UHFFFAOYSA-N 458.367 4.713 5 40 JJBB aggregator COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 9714517 VTESAZDVDRAUEL-UHFFFAOYSA-N 454.508 4.588 5 40 JJBB Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 27232061 KGEVSRNCRVDYRN-UHFFFAOYSA-N 483.528 4.845 5 40 JJBB CCOc1cc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 9381052 SUIRARQPIAWMMH-UHFFFAOYSA-N 473.551 4.536 5 40 JJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408814542 FZCSPDMAEAXCEA-SXGWCWSVSA-N 479.308 4.611 5 40 JJBB COc1ccc(CCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1C 409343672 INDDVEYWEWWREJ-UHFFFAOYSA-N 489.985 4.600 5 40 JJBB Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409390982 WSWNGYLRILEATI-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Br)c3oc4c(c3c2)CCCC4)c1 6088984 SILHENOUKQMPIM-UHFFFAOYSA-N 451.298 4.783 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6157250 IIEIUSPILXKTNX-UHFFFAOYSA-N 475.530 4.506 5 40 JJBB CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9699081 QGWPUKXELRQNER-UHFFFAOYSA-N 452.536 4.639 5 40 JJBB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269565 GQMDTMYYMNTINI-UHFFFAOYSA-N 450.520 4.571 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccccc3)C(=O)N=C2O)[C@H]1c1ccccc1 17028041 ZGTMASBEDXBCCC-GJZUVCINSA-N 470.485 4.828 5 40 JJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)CC1 20153277 QCEHGBFNISQYAJ-UHFFFAOYSA-N 494.573 4.710 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20610407 SIQLVVLGLUJMGW-UHFFFAOYSA-N 473.420 4.989 5 40 JJBB CN(CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl 57442525 AEHPYJYMEUZFMU-OAQYLSRUSA-N 461.996 4.977 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC 9187065 KWNCGDRNOUNLFZ-WNCULLNHSA-N 492.576 4.812 5 40 JJBB Cc1ccc(-c2csc3[nH]c(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nc(=O)c23)cc1C 12986834 ZPCFFAISRURIAI-UHFFFAOYSA-N 466.544 4.907 5 40 JJBB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 16038783 RKCPGGHAUZDUES-WTGUMLROSA-N 456.340 4.566 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565579 LLYVMWQYYFOCPI-DVKBMCPXSA-N 481.911 4.580 5 40 JJBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(OC)cc1 408568167 HVALIOAKBYJMMV-LJQANCHMSA-N 493.383 4.856 5 40 JJBB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Br 408674802 HYBLZHTZVGADBQ-UHFFFAOYSA-N 453.705 4.771 5 40 JJBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)S2)cc1 408770705 AZABODVUAQOPPH-NXIIHZOPSA-N 464.341 4.528 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1 409412332 JQKOKECLBODNMC-UHFFFAOYSA-N 475.530 4.896 5 40 JJBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC 8817678 CHRJHEBVQLQVCU-HYBUGGRVSA-N 476.445 4.763 5 40 JJBB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 9090915 WJQYJBJGKUJEMH-JOCHJYFZSA-N 461.455 4.890 5 40 JJBB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)cc1 12442187 JAFBPWXWIIYHSE-UHFFFAOYSA-N 463.519 4.792 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc2c(Br)cccc12 20611796 ICRWNUHZNMFJRX-UHFFFAOYSA-N 456.296 4.599 5 40 JJBB Cc1cc(OCC(=O)N(Cc2nc(-c3cccs3)no2)C2CCCCC2)ccc1[N+](=O)[O-] 22257582 ANLVQRUCBFHALF-UHFFFAOYSA-N 456.524 4.755 5 40 JJBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 57316940 QBPXSMBAFKUSSD-UHFFFAOYSA-N 477.550 4.566 5 40 JJBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796795 HPDLYYRZULSHCU-SANMLTNESA-N 473.573 4.610 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 9125157 AVQMADQJUAVOOG-UHFFFAOYSA-N 457.821 4.799 5 40 JJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 9282635 SNLDQPKQYJOGNR-UHFFFAOYSA-N 457.534 4.881 5 40 JJBB Nc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316802 AMGDZVNMUCIMNE-UHFFFAOYSA-N 479.290 4.676 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225514629 AUQLKGPYJMJACC-JWQCQUIFSA-N 499.552 4.861 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408923611 YKVNXOQOSKGPLI-NCELDCMTSA-N 491.569 4.949 5 40 JJBB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2095399 GPDYOIJWNAQGLJ-QFIPXVFZSA-N 475.497 4.874 5 40 JJBB biogenic COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)c1 2303258 OEPONKLKZHYAPG-UHFFFAOYSA-N 461.525 4.843 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccncc2)cc1 6280052 YJSHGCAKNTXDCS-UHFFFAOYSA-N 460.519 4.585 5 40 JJBB Cc1nn(Cc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1[N+](=O)[O-] 13643795 FWAFXPVBGMODTL-UHFFFAOYSA-N 492.471 4.953 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 13768764 QFBRVYRJRGJSGC-FDFHNCONSA-N 498.322 4.948 5 40 JJBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)ccc1[N+](=O)[O-] 22257210 QBVITCWSCSAODA-UHFFFAOYSA-N 450.495 4.694 5 40 JJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4nc([N+](=O)[O-])cc4C)cc3)nc12 22706448 RLRBEQYGBHDUGD-UHFFFAOYSA-N 470.518 4.632 5 40 JJBB Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C 223408201 VAXAZXWTXVWXEI-FQEVSTJZSA-N 481.574 4.593 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223870348 XDQIFGTVSVDHSN-XZOQPEGZSA-N 457.515 4.663 5 40 JJBB COCCCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409233022 JOFKSXODJNFWBP-FYJGNVAPSA-N 451.504 4.671 5 40 JJBB CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2431402 UAEBYMFSIZRBSR-UHFFFAOYSA-N 470.909 4.649 5 40 JJBB COc1cccc(NC(=O)Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 9265189 AXIHQZDRWQPBLX-UHFFFAOYSA-N 475.530 4.658 5 40 JJBB Cc1ccc(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c([N+](=O)[O-])c1 9703436 KKBTZHRVJVFXPI-UHFFFAOYSA-N 478.288 4.627 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 13839021 SVFRHZYVFMVDOQ-DNQXCXABSA-N 469.501 4.885 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223135536 DOBYMTFIJQXVAN-NRFANRHFSA-N 457.596 4.550 5 40 JJBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 408664628 CSFDRDGJARAZMF-UHFFFAOYSA-N 471.469 4.923 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc12 18066847 CFLOBRJPPPOLTK-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB CCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257598 YFZIOIMWRRXFHT-UHFFFAOYSA-N 465.293 4.688 5 40 JJBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)cc1Cl 35131712 VDWTXKKLWVUCJE-UHFFFAOYSA-N 495.985 4.527 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)cc2[N+](=O)[O-])CC1 57313348 AHNXTGKGAYHORT-UHFFFAOYSA-N 474.496 4.956 5 40 JJBB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408657543 UMRYCCOORQPNHY-HXUWFJFHSA-N 488.496 4.783 5 40 JJBB Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O 409180116 VWWOQZGGTPZBSD-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)c(Cl)c1 1053191 HPOORPDIGVTFRW-JXMROGBWSA-N 453.882 4.997 5 40 JJBB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 3348099 KJOBWUAGQAGWKJ-UHFFFAOYSA-N 455.883 4.820 5 40 JJBB CSc1ccc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1[N+](=O)[O-] 3444190 DIFYZFAOWNWQNC-UHFFFAOYSA-N 488.525 4.965 5 40 JJBB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 9035964 IOWCUTPEUWVSGE-PDGQHHTCSA-N 489.285 4.549 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])n2CC(C)C)cc1 9634958 INCQMCZAOFUUBB-UHFFFAOYSA-N 475.958 4.902 5 40 JJBB COc1cc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(C)cc1[N+](=O)[O-] 9883350 XVLLYJAERIIGCI-UHFFFAOYSA-N 452.414 4.605 5 40 JJBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 16043805 KJVFVKXBALQEQD-HXUWFJFHSA-N 455.536 4.650 5 40 JJBB COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1OC 16959757 RCJAGFMUVGDVBR-QHCPKHFHSA-N 493.541 4.821 5 40 JJBB Cc1c(CCOC(=O)C23C[C@@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 100816383 OUPFXMHBJIZEQW-JSZXIJHASA-N 455.600 4.993 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 101106207 GJVYHXULAHPFTM-HBMCJLEFSA-N 484.295 4.953 5 40 JJBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2342162 OSZICYDCZFLRNR-UHFFFAOYSA-N 454.486 4.985 5 40 JJBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc(Cl)cc3Cl)nc21 2348487 PHYUPEHHNCKBEK-UHFFFAOYSA-N 452.297 4.864 5 40 JJBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 3355464 SPEWSPGNGVBERY-HNNXBMFYSA-N 466.446 4.588 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13814502 KMUSJELYDWZHEY-DUOVIKOCSA-N 489.528 4.553 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101231770 JUJYJBMCGMULIJ-FKBYEOEOSA-N 463.877 4.608 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222941652 SGIXRISRAPUCNV-VXKWHMMOSA-N 452.536 4.887 5 40 JJBB Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1NC(=O)c1ccccc1 409215978 HAFHEGKXDYDNSM-BKUYFWCQSA-N 476.514 4.634 5 40 JJBB CCOC(=O)c1cn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2c(F)c(F)c(F)cc2c1=O 1424430 OYXWTDZZYCORGK-UHFFFAOYSA-N 475.404 4.616 5 40 JJBB COc1ccc(NC2=C(CC(=O)O)[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(OC)cc3)C2=O)cc1 2360447 VGVHDIAQCFSRSU-VWLOTQADSA-N 489.484 4.541 5 40 JJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cn2cc(Br)cn2)o1 2754600 QIUMMTZYBKOXOD-UHFFFAOYSA-N 474.296 4.571 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl 4558647 KFQQBSCPTZKXGH-HNNXBMFYSA-N 491.784 4.812 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 6194266 QBEODXZCGXUIJN-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSCc3ccccc3)cc2)cc1[N+](=O)[O-] 9539684 FPTKDEXKUHGTCF-UHFFFAOYSA-N 471.560 4.576 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc(-c3ccccc3)o2)n1 13042555 JEZDMEICCMBDSP-UHFFFAOYSA-N 454.489 4.918 5 40 JJBB O=C(Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1Cl 13062434 SRNJJJVLAUXGAB-UHFFFAOYSA-N 478.848 4.908 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc2c(c1)OCCO2 13095551 PZMICURMYOOSKX-UHFFFAOYSA-N 451.456 4.557 5 40 JJBB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 13842708 XICQYQRZGQDDSY-UHFFFAOYSA-N 455.540 4.639 5 40 JJBB Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc2)c(C)c1[N+](=O)[O-] 21705972 JDSQKEYAUFNGKR-QFIPXVFZSA-N 476.533 4.595 5 40 JJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(CCn5nc(C(F)(F)F)cc5C)nc34)c12 22578965 OSRCNKBLQLUDIR-UHFFFAOYSA-N 467.427 4.900 5 40 JJBB Cc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2NC(=O)c2ccco2)cc1 32624638 WXBLVFKGAYVVOQ-UHFFFAOYSA-N 478.486 4.890 5 40 JJBB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n(Cc4ccccc4Cl)c3nc12 101147216 AXGVEKVTMNLRGB-SFHVURJKSA-N 497.986 4.630 5 40 JJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224741005 LGQAFOCJDOAZHM-QFIPXVFZSA-N 475.586 4.547 5 40 JJBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 408924568 KBLPLSGJXDJGNO-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(C)cc(C)c2)cc1 409263887 CQWILMGTEFIBFZ-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409052568 IPRNHMWAZTUDQO-UHFFFAOYSA-N 455.820 4.758 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409105006 HLYWVBUENGMDJD-LPYMAVHISA-N 491.475 4.805 5 40 JJBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])C1 12632069 HEAOFQZEURRIHZ-PQUPRUFKSA-N 483.609 4.567 5 40 JJBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3O)nc2c1 14270204 LXROLYXTGNVJFF-UHFFFAOYSA-N 462.487 4.798 5 40 JJBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1cccc([N+](=O)[O-])c1 101010556 SEJDPDFQLOQJJW-NRFANRHFSA-N 456.437 4.634 5 40 JJBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 6150829 JVAIWJVFUAQPMT-UHFFFAOYSA-N 471.561 4.590 5 40 JJBB COc1ccc([C@@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)N(C)C)cc1 9685050 NICVPYGATRFFPB-OAQYLSRUSA-N 473.602 4.798 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 14409832 LFSURVRETGIZFV-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 33429642 VRJCESVFWAIGGX-LLVKDONJSA-N 466.350 4.813 5 40 JJBB CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 33626176 DRKAXNGLZDTJKP-UHFFFAOYSA-N 468.516 4.990 5 40 JJBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCC 408625056 WQURRVFYLMHQHA-UHFFFAOYSA-N 470.263 4.558 5 40 JJBB O=C(Nc1ccccc1C(=O)OCc1cc(=O)oc2cc(O)ccc12)c1ccc([N+](=O)[O-])cc1Cl 9591884 HVTIBAXGWSGASI-UHFFFAOYSA-N 494.843 4.670 5 40 JJBB CC1CCC(NC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)CC1 9860262 QELLGIBJQLTMQN-UHFFFAOYSA-N 467.577 4.610 5 40 JJBB CNc1ccc(C(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1[N+](=O)[O-] 9924108 AFZWSLSESSNZRR-UHFFFAOYSA-N 454.508 4.751 5 40 JJBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12624845 CRSWVSWOFYRMAN-BETUJISGSA-N 481.336 4.574 5 40 JJBB O=C(N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Br 19143238 NXAFTARJGQKBMH-AWEZNQCLSA-N 468.518 4.862 5 40 JJBB COc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 89909832 DTPRKWDSXHEHBK-OAHLLOKOSA-N 457.508 4.586 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102733489 BNRPMTUMQDZPAK-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC 408565041 BBJRFNAZBHSXDR-GOSISDBHSA-N 493.383 4.856 5 40 JJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 409351620 VBBAUVIZLIRJRA-HXUWFJFHSA-N 453.568 4.934 5 40 JJBB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409364513 XQWPCAQFAFJMPI-UHFFFAOYSA-N 475.571 4.818 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2cc(Cl)ccc2Cl)n1C 832576 PSUZHRCUFGGECI-UHFFFAOYSA-N 481.365 4.681 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1OC 2258184 YGOFQDVMKPDDMU-UHFFFAOYSA-N 471.561 4.519 5 40 JJBB COc1ccc(Nc2nc(Nc3ccc(I)cc3)nc(C)c2[N+](=O)[O-])cc1 8935275 KXBPJAPETIZOIJ-UHFFFAOYSA-N 477.262 4.794 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1[N+](=O)[O-] 14273878 KOHZTUPWPFDBSP-UHFFFAOYSA-N 489.509 4.812 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 21576178 FVLHSJYPHQBIBV-UHFFFAOYSA-N 470.485 4.556 5 40 JJBB O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1-c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] 100099227 PQELXIUPPLQDKT-UHFFFAOYSA-N 491.992 4.511 5 40 JJBB Cc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1C 17052679 GOYMONSCFLWMAL-UHFFFAOYSA-N 491.525 4.758 5 40 JJBB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22242352 SYICVJXMKDBDRV-UHFFFAOYSA-N 479.846 4.620 5 40 JJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223263963 SGFIMUXIYPDSIZ-LVXARBLLSA-N 473.573 4.692 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224069287 DCHHMHPZQNOFGE-AREMUKBSSA-N 473.573 4.612 5 40 JJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225316072 QEIQSSIFWGGMKS-GJZGRUSLSA-N 466.365 4.776 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408685681 PXTILKMHWSTYPL-ZNOIYHFQSA-N 490.343 4.880 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 408977023 CDWVREHYGMGRJA-JOCHJYFZSA-N 467.547 4.568 5 40 JJBB COC(=O)/C(=C/c1cc(/C=C(/C(=O)OC)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 3845551 VTYKXPQICUQLCM-NNFYUIBOSA-N 488.452 4.930 5 40 JJBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 8835232 WMBHCNAGHGZFGA-UHFFFAOYSA-N 479.139 4.800 5 40 JJBB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 32876746 NZQJPTKAYZDYRX-UHFFFAOYSA-N 474.542 4.896 5 40 JJBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214980977 UTIHYWVNDWKTQO-YBFXNURJSA-N 451.416 5.000 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccncc2)cc1 6280118 GABJPWHDIWFJHX-UHFFFAOYSA-N 460.519 4.585 5 40 JJBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272302 XRKQZDLMTMAISX-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=c1[nH]c(-c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)nc2sc3c(c12)CCCC3 27534091 DREAIFDXKDNMNS-UHFFFAOYSA-N 463.515 4.896 5 40 JJBB CC(=O)c1ccc(N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c([N+](=O)[O-])c1 62566511 OLGYBSQJFMVGCB-CQSZACIVSA-N 489.454 4.749 5 40 JJBB Cc1cc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1 102651168 AYTJOGVBVWANGR-QJMPUOCTSA-N 474.565 4.669 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(C)c2)c1C 2072208 KXDNVRXESJPSQC-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB COc1ccc(Cn2c(-c3ccc(Br)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2440634 XCABUZNHYDCVNZ-UHFFFAOYSA-N 489.325 4.989 5 40 JJBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 16291916 DEHIDKBDKXKPRI-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB O=C1NC(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)N1 59427692 SFKSHINLLUEPAT-JCMHNJIXSA-N 450.454 4.900 5 40 JJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223773036 UMOBUZCVXAJGQZ-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224543028 SCBALUMRGIJNRM-RPWUZVMVSA-N 471.542 4.966 5 40 JJBB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)o1 226341867 QNWPLOUCHCIZBJ-ZZXKWVIFSA-N 451.664 4.725 5 40 JJBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1 408542822 KZCDYJGIDOURMG-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB Cc1cc(I)ccc1NC(=O)[C@H]1CCCN1Sc1ccccc1[N+](=O)[O-] 1023017 HYYBNQALAIBMHY-MRXNPFEDSA-N 483.331 4.618 5 40 JJBB CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 1025735 VCVFJQQMIMNPBY-OAHLLOKOSA-N 463.581 4.522 5 40 JJBB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1Cl 3261144 ZYLHLTCNSPLBRY-UHFFFAOYSA-N 455.275 4.920 5 40 JJBB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39750350 AYRAYQBZTAJGTE-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503341 GULXCRZCHVOWIN-YQORSWRPSA-N 465.292 4.778 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224389769 IYYQXCTVKVAHKW-HNNXBMFYSA-N 466.365 4.634 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1[N+](=O)[O-] 409156697 GSFDGVFARNGQCE-UHFFFAOYSA-N 452.323 4.736 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2cc(Br)ccc2oc1=O 713667 WGQUMCSQFPCGKY-UHFFFAOYSA-N 472.276 4.840 5 40 JJBB O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1ccccc1 9391907 HGLXYLHAXJBTMX-UHFFFAOYSA-N 474.542 4.710 5 40 JJBB COc1ccccc1-n1c(SCCn2c([N+](=O)[O-])cnc2C)nc2sc3c(c2c1=O)CCCC3 12520167 AHXZAVIAQOPQOT-UHFFFAOYSA-N 497.602 4.540 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(c5ccccc5[N+](=O)[O-])CC4)cc3)sc2c1 12549317 QTMOCBZNERUMTC-UHFFFAOYSA-N 487.585 4.941 5 40 JJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Br 16226714 GOYFUMPUAOPECN-UHFFFAOYSA-N 476.308 4.753 5 40 JJBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 20060915 SFGJVARESSUIOG-UHFFFAOYSA-N 490.881 4.518 5 40 JJBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(OC)cc1 23554069 LDDNLSFIWQCUJB-UHFFFAOYSA-N 496.574 4.736 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 32124864 QTYKVSHIDLCNBF-WQRHYEAKSA-N 458.517 4.654 5 40 JJBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 35808545 LANUYUGYIILBSZ-FCORRRHLSA-N 485.418 4.582 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247357471 YIGHDGQXVNRDNI-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408684266 NFGRCJVDQHPFDH-ASUYLVSUSA-N 488.327 4.656 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408918275 IIGLHPCOQPGXFW-CAZKKTPXSA-N 465.292 4.995 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C)CC2 13000503 BQKFMJHULHWJRG-MHZLTWQESA-N 475.545 4.815 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 23983296 HESPSGQZICHSMC-UHFFFAOYSA-N 463.519 4.842 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 230003394 YIGHDGQXVNRDNI-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC 408570297 KUXZTWMXAKFUPD-GOSISDBHSA-N 493.383 4.774 5 40 JJBB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409251313 UVZGRPDSRNWFIR-ZVHZXABRSA-N 466.497 4.999 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 3465771 ZVMWMNWWNQPKIW-OAHLLOKOSA-N 479.518 4.623 5 40 JJBB O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 8721576 MKPOMTYSJYWVDR-UHFFFAOYSA-N 472.247 4.895 5 40 JJBB C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9635204 YBRMNVBBFZXLDB-KFRNIWOLSA-N 459.430 4.580 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)Oc1ccccc1 13850144 IDNYWHLPKHUIAZ-ZDUSSCGKSA-N 461.931 4.730 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c(C)c1 14155797 JCNARTIUUZEADY-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1C 16065266 LFZCRFXHURAJOC-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1cccc([N+](=O)[O-])c1 16769061 LWIGJJZDPFTBMC-UHFFFAOYSA-N 460.515 4.832 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 19856567 WETBIXYIMNCZOA-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)c4noc(C)c4Cn4cc([N+](=O)[O-])cn4)cc3)sc2c1 22710332 URALHIURVHXJPR-UHFFFAOYSA-N 474.502 4.973 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409213361 SXMQPDSPEHIBFL-RVZJCZPVSA-N 470.503 4.552 5 40 JJBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 409352546 DFQYZOWTEXOJCU-HYARGMPZSA-N 490.541 4.682 5 40 JJBB CC[C@@H](C)c1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 820391 AHVXIXALYWIBIE-MZNJEOGPSA-N 471.513 4.954 5 40 JJBB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 9312918 BVORJXNVLBIIQR-PDGQHHTCSA-N 489.285 4.549 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1 9510906 PNYRIVWWRCNSJU-CUBQBAPOSA-N 498.539 4.605 5 40 JJBB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] 9595087 VPOKGBQZGASWHY-UHFFFAOYSA-N 481.530 4.814 5 40 JJBB Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1-c1ccccc1 9616875 LELYKVBSXZOCRY-ZDUSSCGKSA-N 466.548 4.727 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1C 14831609 YOXMTUMJRJGWJE-MKMNVTDBSA-N 451.504 4.664 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 16398809 SYUIDLXIWTVYFW-UHFFFAOYSA-N 474.300 4.793 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)s1 39753411 JICXCZMMIWUOKZ-UHFFFAOYSA-N 465.516 4.988 5 40 JJBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)cc(-c3ccc(-c4ccccc4)cc3)nc2n(C)c1=O 44974141 MEESUJVYYZQNAW-UHFFFAOYSA-N 464.481 4.541 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 409220002 XHABGGNQSGZLPD-APSNUPSMSA-N 482.301 4.585 5 40 JJBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409236025 FAXBNTSMASBULY-UDWIEESQSA-N 494.891 4.602 5 40 JJBB COc1cccc(OC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 888304 HYIRHSPDNWHCLM-UHFFFAOYSA-N 462.487 4.549 5 40 JJBB COc1ccc(C(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2ccccc2)cc1 1312341 DUJWMYSQTBXGJN-QFIPXVFZSA-N 450.403 4.601 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 3668378 GOLRPYWOPDWENP-QDBPJBAASA-N 468.509 4.651 5 40 JJBB CCC(=O)Oc1cn(Cc2ccc(OC)cc2OC)c2nc(CC)n3c4ccccc4nc3c12 8871232 AXHJSTCANUQHNQ-UHFFFAOYSA-N 458.518 4.781 5 40 JJBB COc1cc(Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc(OC)c1OC 9471154 FSGCRHDGIQITEN-UHFFFAOYSA-N 493.925 4.818 5 40 JJBB COc1cc(OC)c2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 108263475 WQPFLOXQGYMYCX-UHFFFAOYSA-N 484.515 4.609 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1Cl)[C@H]1CCCN12 408563277 AEPQMIHRTVIBJM-AWTIUKJOSA-N 489.959 4.974 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409212247 OZGWLKLGMAGAFD-DEDYPNTBSA-N 470.503 4.553 5 40 JJBB Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409362620 RYUKLLURXULBSL-UHFFFAOYSA-N 481.962 4.680 5 40 JJBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(=O)(=O)c2ccccc2)c1 1309977 PXHONWOZFSBZBO-NRFANRHFSA-N 486.347 4.897 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc3ccccc3c2=O)c(C)c1 10211494 YRQKCCXDKRWKRT-UHFFFAOYSA-N 478.505 4.781 5 40 JJBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22716591 WXMXQBPPYGGTOK-UHFFFAOYSA-N 479.880 4.540 5 40 JJBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33764450 QSWWAHRMOZLLSD-UHFFFAOYSA-N 488.013 4.966 5 40 JJBB O=C(Cn1cnc([N+](=O)[O-])c1)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 40071095 IXOABBPIAFVJOP-INIZCTEOSA-N 458.305 4.528 5 40 JJBB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8743489 LAUMAPRSWPCLLA-NRFANRHFSA-N 482.489 4.823 5 40 JJBB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 9948621 NRQAMWWFAJVTKP-UHFFFAOYSA-N 456.506 4.716 5 40 JJBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 28294048 KRVAICBMMNSVMQ-CYBMUJFWSA-N 451.788 4.874 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569362 VYXSHYYRQOVGKY-DVKBMCPXSA-N 481.911 4.580 5 40 JJBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)N(c1cccc(Cl)c1)C(=O)N=C2O 8971007 NADLGOPYIYUZPN-PGRDOPGGSA-N 456.886 4.519 5 40 JJBB CCOc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408994625 ZZWPFTCQRHHKFJ-GUYCJALGSA-N 463.562 4.543 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1C 409357535 QSSZIDYOAPOYBF-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB COc1ccc(C)cc1-n1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3492358 BMBZVCZJVBICNL-INIZCTEOSA-N 490.541 4.730 5 40 JJBB O=C(NC[C@H](c1ccco1)N1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15477167 JDOMWHIWYOGURP-OAQYLSRUSA-N 494.514 4.766 5 40 JJBB CN(C)c1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 62621038 YGDKVVRMCMIHQJ-UHFFFAOYSA-N 479.196 4.537 5 40 JJBB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 409337426 TZUFZTNOAKLSMX-UHFFFAOYSA-N 454.559 4.910 5 40 JJBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3404385 JAPKUXKYVBKAPW-SECBINFHSA-N 467.837 4.834 5 40 JJBB COc1c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc2ccccc2c1Br 8833228 DCWNMRNXLOYPIA-UHFFFAOYSA-N 474.336 4.954 5 40 JJBB COc1cc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)c(C)cc1[N+](=O)[O-] 9545910 PQCQSXGANANPKW-UHFFFAOYSA-N 477.498 4.984 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](c3ccccc3)c3nccn3C)c([N+](=O)[O-])c2)c(C)c1 9914953 XUHLSIZMWISTJB-XMMPIXPASA-N 491.573 4.947 5 40 JJBB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 12563046 RGGJLUWEGNCUDT-UHFFFAOYSA-N 492.919 4.654 5 40 JJBB CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 13946228 MIRWHZXLEPADKW-DHZHZOJOSA-N 494.935 4.829 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Cl 14068107 MCRRHCVCWHUEKQ-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 14155915 AQZSMPKPKLGAMA-UHFFFAOYSA-N 469.519 4.582 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(Cl)ccc1N1CCOCC1 16450589 DOTSKMAOTJWJLR-JXMROGBWSA-N 453.882 4.997 5 40 JJBB CCCCCCNC(=S)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=S)NCCCCCC 16638104 CJMBPYUFVXSRPR-UHFFFAOYSA-N 483.704 4.715 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100548523 QKCDBPJBTQIQFW-NVIQENEESA-N 490.941 4.546 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060465 KYWMMYWKNSWQLU-GOTSBHOMSA-N 485.500 4.585 5 40 JJBB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13577022 OGUOHVVCUVFGTJ-MRXNPFEDSA-N 473.547 4.512 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]12 59433397 UQGXXJXBYVAYHD-PGAZUGQPSA-N 454.482 4.564 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3ccccc3c1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103537607 LORZOHOGGFVLCX-ZCYQVOJMSA-N 462.465 4.531 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 223519849 LZKMVDOCLZUAQZ-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 1028308 ASACENDAENEAJQ-UHFFFAOYSA-N 457.368 4.584 5 40 JJBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC 8817677 CHRJHEBVQLQVCU-GBXCKJPGSA-N 476.445 4.763 5 40 JJBB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13576995 DPTXFJNGPRBAGU-LJQANCHMSA-N 461.898 4.760 5 40 JJBB C[C@H](NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)OCCO2 21314433 QDBXDKCUQDHIND-INIZCTEOSA-N 470.554 4.776 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225495070 PZRJMERRXBVPGR-WMZHIEFXSA-N 471.623 4.859 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(C)c1 408575751 QHJZMMPATUBSCD-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(C)c1 408642795 FFNXULSQIGDFSV-FQEVSTJZSA-N 488.496 4.783 5 40 JJBB CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 409309453 HNIBIHVVPLORDF-UHFFFAOYSA-N 467.547 4.608 5 40 JJBB O=c1oc2ccccc2c(O)c1CC(Cc1c(O)c2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 584906267 MXHCMHGNYQXTMO-UHFFFAOYSA-N 485.448 4.788 5 40 JJBB CC[C@@H](C)c1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 820395 AHVXIXALYWIBIE-OSPHWJPCSA-N 471.513 4.954 5 40 JJBB Cc1ccc2nc(NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)OCc3ccccc3)sc2c1 8989882 MLKDHRLAIOOMKW-NRFANRHFSA-N 490.541 4.989 5 40 JJBB O=C(COc1ccc(Br)cc1Br)Nc1ccc([N+](=O)[O-])cc1Cl 9128065 AEPTWAAYELZBDG-UHFFFAOYSA-N 464.497 4.791 5 40 JJBB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 12371480 HKXBBAHARITPFJ-VWLOTQADSA-N 459.502 4.907 5 40 JJBB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 32854084 JFDMLXXHVCGNNY-SIBVEZHUSA-N 489.528 4.928 5 40 JJBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224765786 JKCPRQDFNKVXKO-HHHXNRCGSA-N 485.584 4.836 5 40 JJBB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408636274 NFPIIRAXODDESF-UHFFFAOYSA-N 496.328 4.720 5 40 JJBB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408639401 FZVNFBWUICDABB-GFCCVEGCSA-N 466.719 4.619 5 40 JJBB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 6878451 AFWOFTUWBKBFPF-UHFFFAOYSA-N 460.947 4.511 5 40 JJBB Cc1cc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)no1 9511894 GRVWKDBCTGFHMX-UHFFFAOYSA-N 477.424 4.980 5 40 JJBB C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 11278354 OOKFWBPEWBLORR-GOSISDBHSA-N 484.552 4.954 5 40 JJBB COc1ccc(Oc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)ccc2OC)cc1 12910220 LQKHJZUVKGOCIJ-HNNXBMFYSA-N 495.463 4.535 5 40 JJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224904622 JOQHAYJPQFWKRQ-VWLOTQADSA-N 493.991 4.955 5 40 JJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cc3ccccc3o2)c1 9062387 JEIFWAKWQGOFAO-UHFFFAOYSA-N 469.413 4.896 5 40 JJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2nnc(C)s2)cc1 44086570 IIKPWKARBNWUML-UHFFFAOYSA-N 466.548 4.647 5 40 JJBB COc1cc(NC(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C)cc1[N+](=O)[O-] 102419081 AVWOYIOSFGULQI-ZNAOMFPMSA-N 495.370 4.518 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 409236424 GAQUCMYGRPIZPM-MTJSOVHGSA-N 493.497 4.847 5 40 JJBB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409358780 GQQLTJNQPNGQHJ-UHFFFAOYSA-N 477.999 4.849 5 40 JJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3532274 FWJQMEBLSZFPGT-UHFFFAOYSA-N 466.493 4.740 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 8693869 OGEGNEBPWJKGOI-CQSZACIVSA-N 482.876 4.672 5 40 JJBB aggregator O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 9057525 WEXOBUXQUOXSOT-UHFFFAOYSA-N 492.582 4.965 5 40 JJBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 12914568 AOASXLDNYULEOY-CSKARUKUSA-N 455.820 4.767 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 13810879 JUJYJBMCGMULIJ-FSSWDIPSSA-N 463.877 4.608 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@@H]3C2=O)cc1 100835117 YQAIIBRNBTWWED-NOZRDPDXSA-N 484.512 4.556 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409217581 QJKOAQFLNJXJEA-RVZJCZPVSA-N 470.503 4.552 5 40 JJBB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 6156804 UWPWHCIPLOGXOH-UHFFFAOYSA-N 477.498 4.738 5 40 JJBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1 8722377 OZZKAMJGKRDEEH-ASSNKEHSSA-N 463.515 4.854 5 40 JJBB CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1 12140945 PICBRBBPULHEPD-UHFFFAOYSA-N 463.357 4.566 5 40 JJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 12360378 DIDITKPFIVUZGZ-UHFFFAOYSA-N 461.499 4.730 5 40 JJBB CC(=O)N1CCc2c(sc3nc(SCc4cccc([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1 12415042 ADDVNRYWFORHCN-UHFFFAOYSA-N 492.582 4.552 5 40 JJBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 13095206 LRPODLGOFNMTTK-QPJJXVBHSA-N 463.412 4.985 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(OC)c3)o2)c([N+](=O)[O-])c1 20140697 VQOUGIPFXDELLF-UHFFFAOYSA-N 464.430 4.877 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nc2cc([N+](=O)[O-])ccc21 103112864 NNGCHWCWXIIXCX-YWTNHNAXSA-N 480.590 4.975 5 40 JJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409246756 DFPSGQHOEOTVAS-RGVLZGJSSA-N 497.460 4.678 5 40 JJBB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8435658 XMIXASDDCJQXRG-INIZCTEOSA-N 475.530 4.727 5 40 JJBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20550434 SGOKSUXZCZIPKJ-UHFFFAOYSA-N 486.532 4.541 5 40 JJBB O=S(=O)(O)Oc1c(-c2[nH]c3ccccc3c2OS(=O)(=O)O)ccc2cc3ccccc3cc12 68601246 NXLNNNHEGQNRQM-UHFFFAOYSA-N 485.495 4.505 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408671114 SVZYOISXJSGTTJ-GOSISDBHSA-N 474.513 4.888 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2405470 ZFZUMPZQYFTLTB-UHFFFAOYSA-N 465.513 4.555 5 40 JJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 3308123 UHNUNGITDZRJNE-FYWRMAATSA-N 454.486 4.786 5 40 JJBB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177401 YMWDJERZMSZHHD-OAHLLOKOSA-N 461.503 4.667 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNS(=O)(=O)c1ccc2ccccc2c1 9016039 LGFQUDQMYGNDME-UHFFFAOYSA-N 453.442 4.547 5 40 JJBB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1 9464783 RLKOAOVHDDNAJI-UHFFFAOYSA-N 466.548 4.553 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 18169443 FDQDELDTXWZPNF-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142606 HAEDSHWYYWXNDP-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20450586 LFIVGZNGLRKWNQ-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc3ccccc23)cc1 408565061 BBXQOMLGFFBASJ-APPWNINVSA-N 479.536 4.987 5 40 JJBB O=C(COC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 408585192 COXNTRMXKVJOMA-UHFFFAOYSA-N 470.275 4.976 5 40 JJBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccc(Cl)cc1 408608378 PIIZKWSKROAMKA-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409179754 UUTARQBRIMBJPV-RUZDIDTESA-N 491.456 4.698 5 40 JJBB CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409195711 VNEAKQDYJMLEGH-BKUYFWCQSA-N 488.452 4.566 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21)c1ccccc1 409371148 GKPWHRFHOCUNQQ-RFZJPIJTSA-N 465.303 4.752 5 40 JJBB O=C(Nc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1)C(Cl)=C(Cl)Cl 2154197 WNSPOSBKCBSVMN-UHFFFAOYSA-N 462.624 4.707 5 40 JJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(F)c([N+](=O)[O-])c1 8871128 KRNACMHCQQSDDF-UHFFFAOYSA-N 460.469 4.685 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC 9447368 BNPAIHBRPUINEB-NVQXNPDNSA-N 478.549 4.504 5 40 JJBB O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 9721065 WQASSICRUQQOMP-UHFFFAOYSA-N 475.014 4.679 5 40 JJBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 13925821 GLLSHIBVEGUHIH-UNOMPAQXSA-N 478.844 4.821 5 40 JJBB O=C(c1ccc(Br)cc1)[C@H]1C(=O)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 101064388 BKAHTEOQRMKSPK-VQTJNVASSA-N 494.301 4.654 5 40 JJBB CCCCOC(=O)[C@H]1ON(c2ccc(C=O)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OCCCC 5665129 IFILWLJINXDARU-SGNDLWITSA-N 498.532 4.572 5 40 JJBB COc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 8862469 SCGMAIHRABHJAH-UHFFFAOYSA-N 452.307 4.967 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 9289029 BHVJXZRRQQIGJX-BJKOFHAPSA-N 469.501 4.885 5 40 JJBB COc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c([N+](=O)[O-])c1 9509688 OFAJDTIZBZJPGS-UHFFFAOYSA-N 463.471 4.676 5 40 JJBB C[C@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 9591704 KQHYZVWLHSYAAG-NEPJUHHUSA-N 473.576 4.879 5 40 JJBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 15413825 SOHLPJRJYDTVKJ-TUGCOKMYSA-N 488.931 4.552 5 40 JJBB Cc1ccc(S(=O)(=O)Oc2ccc(-c3cc4c(c(N)n3)c(=O)oc3ccccc34)cc2)cc1 226758170 XIWMRKQXNDRCLW-UHFFFAOYSA-N 458.495 4.667 5 40 JJBB C[C@@H]1CN(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 13525960 NSVIJPBQLIMCRI-ZIAGYGMSSA-N 498.479 4.557 5 40 JJBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1 27026153 RGQLIJNQOUHAGK-HXUWFJFHSA-N 499.310 4.898 5 40 JJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9910178 GGISWGXWDOXMNI-UHFFFAOYSA-N 461.909 4.827 5 40 JJBB CCc1ccc(S(=O)(=O)Oc2cc(C)nn2-c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 11691538 UWHWPEAGUMDIAO-UHFFFAOYSA-N 456.307 4.726 5 40 JJBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 12857496 CRYPHVYJNWMXEI-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 197559004 XJEAXUSHZMIWKR-JOCHJYFZSA-N 486.553 4.549 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223657754 SMDDJVVVCYBLSA-FQRUVTKNSA-N 491.563 4.831 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224246964 MKDDJNGTCZGMIL-VWLOTQADSA-N 493.991 4.957 5 40 JJBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 409180565 WYWWWTFGDLALAK-XMMPIXPASA-N 450.422 4.620 5 40 JJBB O=C(NCc1ccccc1)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 8386602 WQTLBGGQQCMZQJ-JJIBRWJFSA-N 467.481 4.942 5 40 JJBB O=C(CN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCC1=CCCCC1 9318248 QGTUGWBJVXFYHW-UHFFFAOYSA-N 495.960 4.589 5 40 JJBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 32127515 XRFWBVPTXQOMAE-UHFFFAOYSA-N 450.476 4.553 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 35851892 QPGZIVYPMJDZHQ-TTZMFTMZSA-N 485.565 4.722 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 100858721 VFROVPQNBYBLSL-NOZRDPDXSA-N 462.465 4.531 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569361 VYXSHYYRQOVGKY-DPQOWFAMSA-N 481.911 4.580 5 40 JJBB CCCC(=O)Oc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OCC 1807847 ZSSLAYYKBZONOL-YVLHZVERSA-N 458.854 4.697 5 40 JJBB COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 9669862 QEBFKUWEFJATIQ-JOCHJYFZSA-N 475.530 4.965 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(c1ccccc1)c1ccccc1 9846257 NCPKHDHWXOKPOR-UHFFFAOYSA-N 495.004 4.603 5 40 JJBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)ccc2[N+](=O)[O-])n1 12446069 SDNNOQDZPFGVOV-UHFFFAOYSA-N 495.583 4.878 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2ccccc12 16526243 NADIXAXEWZXJAG-UHFFFAOYSA-N 488.491 4.604 5 40 JJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409072734 KUXQGGXNUHVLEZ-SDUWKLLGSA-N 471.274 4.759 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 797563 RTJKTIGHDIHHAC-AWEZNQCLSA-N 474.974 4.899 5 40 JJBB COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(-c4ccc(Br)cc4)nc3oc2c1 2353737 UNOGTYXSTXFHFS-UHFFFAOYSA-N 489.325 4.989 5 40 JJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2414229 PTHMYKPTNXAAPH-UHFFFAOYSA-N 492.377 4.781 5 40 JJBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1 9064550 UUNWMJVFEHBVLP-UHFFFAOYSA-N 460.471 4.720 5 40 JJBB O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 9310869 DINBOMCDSDBPAJ-BUVRLJJBSA-N 488.931 4.859 5 40 JJBB O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1cccc(Cl)c1 22717876 KDTJFZPGEJDXTE-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB Cc1sc2nc3c4ccccc4c(NC[C@@H](c4cccs4)N4CCOCC4)nn3c(=O)c2c1C 23983736 LRJSHVKZKZHJTL-IBGZPJMESA-N 491.642 4.621 5 40 JJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 409181648 FLSIRJFBOYFBEF-UHFFFAOYSA-N 494.308 4.774 5 40 JJBB CC[C@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NC[C@@H]1CCCO1 9473220 LHAIXFXULDGIBC-YWZLYKJASA-N 499.434 4.964 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 20036336 QOYBQFHRCRRZKG-RQZCQDPDSA-N 466.837 4.541 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224820809 QCWVNHPIJNNRNV-GOSISDBHSA-N 487.597 4.833 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685362 PDYWVDGNOIOIMK-SKDZVZGDSA-N 490.343 4.880 5 40 JJBB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 9013668 PBULHMMPLGAGRI-IBGZPJMESA-N 451.822 4.709 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ncnc2scc(-c3ccccc3)c12 9665868 SEPBMIHNDKMARR-UHFFFAOYSA-N 482.543 4.843 5 40 JJBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442336 HZDGBLKJCGZDDX-UHFFFAOYSA-N 463.475 4.502 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc([N+](=O)[O-])ccc21 3240508 MVERHAICQPAHHV-UHFFFAOYSA-N 491.529 4.632 5 40 JJBB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 12845946 DFGOMWRDTUAURD-UHFFFAOYSA-N 479.368 4.995 5 40 JJBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 14274776 JRELBCPSDNLTMM-UHFFFAOYSA-N 475.530 4.912 5 40 JJBB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20610376 OBZAZVYRLODEJY-UHFFFAOYSA-N 460.469 4.710 5 40 JJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 22535480 CUKYALQSPQQKCR-UHFFFAOYSA-N 453.524 4.796 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]12 59433400 UQGXXJXBYVAYHD-ZOVQAKDCSA-N 454.482 4.564 5 40 JJBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 108250744 ULDFLZPDFICZFB-UHFFFAOYSA-N 473.986 4.575 5 40 JJBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408559648 AOPDSODLDSWKAL-LNVKXUELSA-N 458.471 4.886 5 40 JJBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 409154099 FTTYPOIBUGNZIN-PXNMLYILSA-N 463.924 4.645 5 40 JJBB O=C(CCNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9129240 CRZANHWSSOIXKR-UHFFFAOYSA-N 467.861 4.527 5 40 JJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153230 IDZNHMMXDBJFDA-UHFFFAOYSA-N 494.573 4.773 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 24765191 YXYMFVROYAOBHG-UHFFFAOYSA-N 459.911 4.539 5 40 JJBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1)N1CCCCC1 225536655 VNTWQCMPJIROGZ-UHFFFAOYSA-N 465.550 4.827 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409331482 OEVRMFDJAOHODS-NVNXTCNLSA-N 496.726 4.686 5 40 JJBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccccc1[N+](=O)[O-] 9669107 XXVRXPWWMLUNTO-UHFFFAOYSA-N 492.404 4.869 5 40 JJBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Br)cc2)o1 16429510 REQSEDQQYCOLKR-UHFFFAOYSA-N 464.272 4.883 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405548 UGHUJFYCXFPLMB-UHFFFAOYSA-N 499.755 4.916 5 40 JJBB Cc1cc2c(cc1S(=O)(=O)Nc1ccc3sc4ccc(Cl)cc4c(=O)c3c1)OCC(=O)N2 30947732 QRRUPCOZQWKJQH-UHFFFAOYSA-N 486.958 4.508 5 40 JJBB COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1 100971965 JVDKEMULXKCWNZ-UXLLHSPISA-N 485.568 4.518 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 102772006 GWWBCAZAJVPJLP-CHQSNSNVSA-N 485.565 4.722 5 40 JJBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 222715939 OVMKWEWUPJHWFU-SANMLTNESA-N 491.563 4.689 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408688347 WAXSAJUNHQVCEJ-FSPWUOQZSA-N 490.343 4.880 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408838987 LIRDFUIRYGGDAG-XSFVSMFZSA-N 458.426 4.557 5 40 JJBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 9518488 XKQSOWGDMUFNMZ-UHFFFAOYSA-N 459.414 4.503 5 40 JJBB COc1cccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c1OCC(=O)O 79477227 IZHPSWHWXHOHLP-UHFFFAOYSA-N 477.473 4.770 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 102765137 JUJYJBMCGMULIJ-FDFHNCONSA-N 463.877 4.608 5 40 JJBB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 110570499 QMXZUXLIPDESRW-DCLXLUIPSA-N 481.596 4.978 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223657471 LLYMFCZEWJFRFA-HSZRJFAPSA-N 471.623 4.860 5 40 JJBB CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)o1 408630755 CLUYQIWTCOHUKM-ZSOIEALJSA-N 466.269 4.781 5 40 JJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2c(Br)cccc12 8902472 QJOZBIGGBBWAGO-UHFFFAOYSA-N 456.296 4.599 5 40 JJBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1 20528953 RAESFPXZHUZAFG-UHFFFAOYSA-N 472.545 4.680 5 40 JJBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 20529142 IXVUVPLQIYSUFV-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224034045 UQQLDZHCSZDUIJ-QHCPKHFHSA-N 471.623 4.594 5 40 JJBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC1CC(C)(C)NC(C)(C)C1 8792379 UBYYFXMOIJUGEB-QGZVFWFLSA-N 496.611 4.785 5 40 JJBB biogenic O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 9062462 VJUOAZRWZJRQPQ-UHFFFAOYSA-N 459.487 4.547 5 40 JJBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232627 DIHIVKFDYBXUMK-YBFXNURJSA-N 451.416 5.000 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)ccc1Cl 12659875 WWIKSMDRXIYSRE-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14126593 BGKBKJWMKGZMRQ-UHFFFAOYSA-N 475.958 4.786 5 40 JJBB COc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)c(OC)c1 14808286 SBZVJNARFMXIFK-UHFFFAOYSA-N 471.538 4.934 5 40 JJBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 408669997 HVKQVVCBIOUUQV-UHFFFAOYSA-N 492.484 4.931 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684260 NDSTXVWPCQMTRZ-RTBURBONSA-N 488.327 4.800 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409171473 BZOLIDWZRRYNAA-RUZDIDTESA-N 477.542 4.672 5 40 JJBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)nc1O 409335626 KTABHOGYXNZQNW-BAQGIRSFSA-N 478.686 4.961 5 40 JJBB CC(C)COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 8831130 PPEPBSKCULUYSU-UHFFFAOYSA-N 456.549 4.880 5 40 JJBB CC(C)(C)c1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 10000252 FWRXIKIVXLHDLN-VWLOTQADSA-N 474.513 4.790 5 40 JJBB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 13063085 LCLWYPLJGYBAPZ-MDZDMXLPSA-N 486.527 4.757 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(Cl)cc12 13576915 YVWKYIBSZJVZBR-AYPBNUJASA-N 467.934 4.685 5 40 JJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16194513 GMDKLHRJNVKAPP-AATRIKPKSA-N 470.740 4.926 5 40 JJBB CC(=O)c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 18056378 VKXJQBIFCKQNOX-UHFFFAOYSA-N 451.473 4.987 5 40 JJBB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225563860 XKNBKOCBKDWZNH-NHCUHLMSSA-N 481.593 4.638 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408688350 WAXSAJUNHQVCEJ-XWIAVFTESA-N 490.343 4.880 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccccc1 408750961 UOWUBQIIMBAGLM-UHFFFAOYSA-N 490.522 4.736 5 40 JJBB Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2c2cccs2)cc1 9539146 CUSANSFYXUBIDB-REWPJTCUSA-N 494.525 4.669 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223715223 VWAYRGLNIPQXLC-RXFWQSSRSA-N 491.563 4.831 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 409377470 IMFUOMZOZIMQQD-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB CCCc1nc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C(=O)O)n[nH]1 408633147 WKJNSGRKHMDCBI-MOSHPQCFSA-N 484.534 4.861 5 40 JJBB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 2403696 XTFAWEHQVBNDKT-QGZVFWFLSA-N 468.878 4.518 5 40 JJBB O=C(O[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3216846 BVZKTSFALXLDMT-NRFANRHFSA-N 487.346 4.796 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060302 NATOKUDHFORUJM-PKTZIBPZSA-N 455.474 4.576 5 40 JJBB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9062363 HEIXILTWOBIZQM-UHFFFAOYSA-N 493.863 4.811 5 40 JJBB O=[N+]([O-])c1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCCC3)n2)c1 9246646 DXQYADAQOFRPNJ-UHFFFAOYSA-N 480.369 4.776 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 20519131 QPGZIVYPMJDZHQ-ZOJNDGCKSA-N 485.565 4.722 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225460041 RVMKGBHLGOBROV-XMSQKQJNSA-N 457.596 4.550 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)c1ccc([N+](=O)[O-])cc1 409345477 JBQHVHVZBXIUAM-RGVLZGJSSA-N 479.426 4.682 5 40 JJBB CCCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 409369422 NFTYUICXGFSYCH-UHFFFAOYSA-N 466.284 4.585 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1C 3347193 IATFGBSYTOPIBH-UHFFFAOYSA-N 460.515 4.642 5 40 JJBB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9057255 BSZMFQGIVPNDST-UHFFFAOYSA-N 485.250 4.770 5 40 JJBB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 13102341 HEVJNFPLFLSEBK-UHFFFAOYSA-N 466.910 4.622 5 40 JJBB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2c1 20412375 HAXCMEJIJPOAJF-UHFFFAOYSA-N 453.432 4.512 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223406859 LDJPKZDLFPRQCJ-NRFANRHFSA-N 475.586 4.689 5 40 JJBB CCOC(=O)c1cccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2240653 KTROODKNOIKQJA-UHFFFAOYSA-N 484.428 4.629 5 40 JJBB CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3256586 VIIZRUGTVPPBQV-GOSISDBHSA-N 457.895 4.902 5 40 JJBB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)ccc1[N+](=O)[O-] 9539615 USFAWPNFZWLEGB-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 102747085 XHJPICMRXHBYBX-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc([N+](=O)[O-])ccc21 108850983 NNGCHWCWXIIXCX-LSTDLKDCSA-N 480.590 4.975 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 408569310 VOHFGNQXTJYXBK-RTFLAGNKSA-N 481.911 4.626 5 40 JJBB Cc1cc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1F 2732439 LWOTUWMJFOLZPK-GBXBDOIYSA-N 492.555 4.808 5 40 JJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCCc1ccc(OC)cc1 8915387 ROXLFWGGAMUONV-UHFFFAOYSA-N 475.438 4.804 5 40 JJBB O=C(CN(Cc1ccco1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 9641497 VXKQPQBZRWDJFG-ZHACJKMWSA-N 473.407 4.887 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 408582936 GENVJQRJRZWDAQ-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2410011 GFRRFWDAXUNXPG-UHFFFAOYSA-N 455.518 4.635 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 4786746 NZDZHDZQNBEVCA-HSZRJFAPSA-N 455.474 4.881 5 40 JJBB COc1ccccc1[C@@H]1CN2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789690 HTHQYWWLJVVXKR-DCFHFQCYSA-N 482.496 4.914 5 40 JJBB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 9355782 CIEZUKHMRXCAOI-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB COc1ccc(-c2csc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)n(C)n3)n2)cc1OC 35683112 MWSHYHDKDQZLHR-UHFFFAOYSA-N 479.518 4.697 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 49899687 CLPBGOJNBGQOBQ-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(C)cc(C)c1 101176849 QSFRDQUESRDNMT-ZXPTYKNPSA-N 498.583 4.689 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)C1 409330925 ATPQSHZBQYINED-INIZCTEOSA-N 461.591 4.508 5 40 JJBB O=C(/N=c1\ss/c(=N\c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NCc1ccccc1 3844514 OLYCCRXTGOIHKW-NUJSLWOLSA-N 463.544 4.551 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1C(F)(F)F 18067725 PGIJGILKOFWSEC-QHAWAJNXSA-N 483.402 4.665 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCC1 21547107 NAPCWCOMKIIJJN-UHFFFAOYSA-N 453.520 4.798 5 40 JJBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1\CCCN1C 102415223 XBIHVYSXQXTAAU-CZIZESTLSA-N 482.449 4.834 5 40 JJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)cc1 408684745 NYFQHZNNJJUSMI-JOCHJYFZSA-N 471.918 4.855 5 40 JJBB O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCN(c2ccccc2)CC1 8971834 IWTUAFQPPDXCMV-KTKRTIGZSA-N 474.473 4.657 5 40 JJBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 20970302 RLDZSOCNFOQVNV-HSZRJFAPSA-N 455.474 4.881 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 105346340 QPGZIVYPMJDZHQ-CHQSNSNVSA-N 485.565 4.722 5 40 JJBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223434236 RWAYNISNVFBLRZ-DQEYMECFSA-N 485.569 4.962 5 40 JJBB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 9137103 RUKFFWYMDDTPNT-UHFFFAOYSA-N 471.263 4.945 5 40 JJBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])C1 12632077 HEAOFQZEURRIHZ-NYORXONMSA-N 483.609 4.567 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13787916 JQULETKQGCNLTD-NJDAHSKKSA-N 499.401 4.545 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36311771 CIEPJQVBYARERO-JPYYHWIRSA-N 485.565 4.722 5 40 JJBB CN(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 89365271 SYHFLLOFYIGRQI-UHFFFAOYSA-N 462.483 4.792 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 408581622 JRVIYIIYIKENGJ-UHFFFAOYSA-N 464.425 4.810 5 40 JJBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409060919 XAXFROQNSVGZHI-UNOMPAQXSA-N 497.916 4.656 5 40 JJBB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409195936 WUJCJDSXPKJFQM-BGFDYXISSA-N 484.464 4.957 5 40 JJBB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9271787 UOSIOEBOOJTZRI-BJMVGYQFSA-N 466.925 4.815 5 40 JJBB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 10219061 WTJQLYJHCWCMAG-UHFFFAOYSA-N 465.940 4.564 5 40 JJBB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409343722 IRCLMZQLPKRUHV-BKUYFWCQSA-N 470.503 4.702 5 40 JJBB COCCOC(=O)c1c(C)n(CCNc2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccccc12 8783626 JFTXWGPHDAYKDT-UHFFFAOYSA-N 463.490 4.632 5 40 JJBB biogenic,in-vitro COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NC4CCCCC4)nc2c31 8877988 FTYIOLSLJXTGKG-UHFFFAOYSA-N 455.514 4.672 5 40 JJBB biogenic Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cccc1[N+](=O)[O-] 9849767 QPBHOBNKSSNBQE-UHFFFAOYSA-N 468.922 4.936 5 40 JJBB C[C@H](CNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)c1ccccc1 9860274 DJBDDJFJWMZSEL-HXUWFJFHSA-N 489.583 4.835 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060399 RFPOWBXUAVXHSC-YADHBBJMSA-N 455.474 4.576 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 13751849 HTMKSIUKRBNEIZ-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 14152449 IJQJBRIINQZIDV-UHFFFAOYSA-N 464.425 4.810 5 40 JJBB Cc1nc2ccccc2c2c(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c3ccccc3n12 24751595 FFIUQNAATUDDLO-UHFFFAOYSA-N 481.512 4.946 5 40 JJBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408535117 XPWBNKCJBZAKDA-UHFFFAOYSA-N 458.518 4.995 5 40 JJBB COc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 1474145 BQFQQGKTPPMXFR-UHFFFAOYSA-N 460.895 4.601 5 40 JJBB COc1ccc(Oc2coc3cc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3c2=O)cc1 1807428 CEOQYPMQNNKRLD-UHFFFAOYSA-N 478.369 4.630 5 40 JJBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8444558 ZGLUFXJSEQDEAI-XMMPIXPASA-N 473.514 4.689 5 40 JJBB O=c1c2c(nc(SCc3cccc([N+](=O)[O-])c3)n1-c1ccc(OC(F)(F)F)cc1)CCS2 12140614 XRYOYDOYFCXLPZ-UHFFFAOYSA-N 481.477 4.980 5 40 JJBB COc1ccccc1-n1c(SCC(=O)NCc2cc(C)c(O)c(C)c2)nc2cc([N+](=O)[O-])ccc21 13095963 HUZRXXAOEBOCSK-UHFFFAOYSA-N 492.557 4.673 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610053 DQODNJFXPPSSGV-UHFFFAOYSA-N 455.430 4.850 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101239500 BFURDYFRTOVTEE-VABKMULXSA-N 493.903 4.698 5 40 JJBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)nc1O 409327096 HWKGUAUOVMUYQQ-YWEYNIOJSA-N 478.686 4.961 5 40 JJBB COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)o1 524732233 QUVLFPROYMTRCP-UHFFFAOYSA-N 484.464 4.568 5 40 JJBB biogenic CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 876336 LWOZGCONQOUAOU-AWEZNQCLSA-N 475.958 4.866 5 40 JJBB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1cccc([N+](=O)[O-])c1 3136224 RXPSREAGVBTBLG-UHFFFAOYSA-N 452.058 4.887 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9281602 ZVCZCKLSNDIVET-DEOSSOPVSA-N 470.481 4.806 5 40 JJBB Cc1nc2ccccc2c2c(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c3ccccc3n12 12546813 JZXFNKCISHVOTK-NRFANRHFSA-N 462.553 4.979 5 40 JJBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])C1 12632082 HEAOFQZEURRIHZ-CMGXPFNDSA-N 483.609 4.567 5 40 JJBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 22563812 ADIVVYGFAMEZOS-UHFFFAOYSA-N 457.320 4.647 5 40 JJBB COc1cc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])cc1OC 41124344 DWEZOHWJXUOWJF-UHFFFAOYSA-N 479.518 4.790 5 40 JJBB Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 138693266 JMAFFULKWIJKAM-UHFFFAOYSA-N 491.500 4.905 5 40 JJBB CCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 409009188 YRRBHIOWASZJHK-PXLXIMEGSA-N 458.426 4.557 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C 409173001 HCKHPPSXWMSFSZ-ZDUSSCGKSA-N 461.931 4.556 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1[N+](=O)[O-] 14275046 GNTNFSMTTNHROQ-UHFFFAOYSA-N 492.513 4.861 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102752140 PNRAUUFHWKLZIG-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409217582 QJKOAQFLNJXJEA-SLDJAQPHSA-N 470.503 4.552 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 2082835 IRMFTVGPUQKIMF-NSHDSACASA-N 461.496 4.754 5 40 JJBB COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc(Br)c1OCC(=O)N(C)C 9168310 YZEKTTAADTVVAE-BQYQJAHWSA-N 486.322 4.552 5 40 JJBB COc1ccc(-c2c(C)c3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3oc2=O)cc1OC 11866218 OBFJQHVQLYQDRU-UHFFFAOYSA-N 461.426 4.913 5 40 JJBB biogenic CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14272662 JFIXPIIXXIEPIB-UHFFFAOYSA-N 472.505 4.580 5 40 JJBB COc1ccc(CCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C 409019261 WFBGURJOBGZYPD-UHFFFAOYSA-N 456.524 4.509 5 40 JJBB CCC(=O)Oc1cn(Cc2ccc(OC)c(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 8871200 DFURVCGGUQSKLR-UHFFFAOYSA-N 458.518 4.781 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N(c3ccccc3)C(=O)N=C2O)[C@@H]1c1ccccc1 8974117 ZGTMASBEDXBCCC-BKMJKUGQSA-N 470.485 4.828 5 40 JJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 9062455 SSKQZBGJKOKEDJ-UHFFFAOYSA-N 486.724 4.674 5 40 JJBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2scc(-c3ccc(F)cc3)c2c1=O 9316353 KSQBHSOWXANIMT-UHFFFAOYSA-N 485.518 4.868 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)Oc1ccccc1 13850142 IDNYWHLPKHUIAZ-CYBMUJFWSA-N 461.931 4.730 5 40 JJBB Cc1ccc(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 17051115 WHJWOZHPHARATG-UHFFFAOYSA-N 491.525 4.758 5 40 JJBB O=C(Nc1cccc(Cn2ccnc2)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25172314 YRAKMYFYQUKAIS-UHFFFAOYSA-N 473.455 4.714 5 40 JJBB Cc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ccc1[N+](=O)[O-] 35272007 SWOVUPGBRNSELT-UHFFFAOYSA-N 468.922 4.936 5 40 JJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409177650 BMZZUMWTYNBJOB-FQEVSTJZSA-N 485.792 4.846 5 40 JJBB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 409324569 TWIAABADGARIMA-UHFFFAOYSA-N 467.547 4.861 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1313725 HXPARHCYWGNSJG-UHFFFAOYSA-N 478.038 4.612 5 40 JJBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 2056854 NUBSYQUURXXBOY-UHFFFAOYSA-N 454.826 4.969 5 40 JJBB O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(Cl)cc1)CCCC3 2431682 AKFMCGDHCUFZSC-UHFFFAOYSA-N 467.934 4.703 5 40 JJBB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10220633 PXVGYYCTSKIJJQ-UHFFFAOYSA-N 492.604 4.595 5 40 JJBB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1OC 12442265 NOHKBZXPOBRWJK-UHFFFAOYSA-N 479.518 4.790 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13815634 CIEPJQVBYARERO-AALWMKDKSA-N 485.565 4.722 5 40 JJBB Cc1cc(I)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 21595506 KTJUYUFSAUXPQA-UHFFFAOYSA-N 479.318 4.996 5 40 JJBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)c([N+](=O)[O-])c2)C1 40067617 ZLLXECBVIHKPCF-IRXDYDNUSA-N 486.594 4.537 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225460107 RVMKGBHLGOBROV-GCJKJVERSA-N 457.596 4.550 5 40 JJBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8831486 VUKJWNXCJFSMKL-UHFFFAOYSA-N 450.520 4.972 5 40 JJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CC[C@@H](CC)C2 9968811 VJLGMWBBYKLAMH-OAHLLOKOSA-N 482.562 4.845 5 40 JJBB O=C(O)/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633642 LECHCTGEKDUEJK-QPEQYQDCSA-N 498.698 4.984 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408686602 SDJZJUOIMPZGNJ-RPVQJOFSSA-N 490.343 4.880 5 40 JJBB COc1ccc(C(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c2ccccc2)cc1 1312342 DUJWMYSQTBXGJN-JOCHJYFZSA-N 450.403 4.601 5 40 JJBB COc1cc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 9096741 ZGTFEUOJZSPTQX-MRXNPFEDSA-N 490.516 4.510 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 9508512 ZPYXSZORHQGWRZ-UHFFFAOYSA-N 451.426 4.917 5 40 JJBB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc([N+](=O)[O-])cc1 12804046 ADBIRPUPOTYUPV-MDWZMJQESA-N 474.498 4.704 5 40 JJBB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 13134157 PNWSCIDTNYYGJP-SLZMIMFISA-N 497.529 4.709 5 40 JJBB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 15391686 AEBSMSHKXYEYIE-UHFFFAOYSA-N 458.543 4.685 5 40 JJBB COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20611276 PDXRZPBFKAXFKS-ONNFQVAWSA-N 463.881 4.951 5 40 JJBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 32578452 QEMONHFKZCGQMF-UHFFFAOYSA-N 468.560 4.545 5 40 JJBB Cc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2NC(=O)c2ccco2)cc1 32624619 IDRXIRUHEVEEJV-UHFFFAOYSA-N 478.486 4.890 5 40 JJBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 33598456 IGHQVPDGHKPDBD-SOFGYWHQSA-N 478.288 4.839 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)cc1 39767130 YKQZWCMZHRGHKN-NTEUORMPSA-N 485.456 4.558 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225519573 SRVCBDYTMLGKRZ-JWQCQUIFSA-N 499.552 4.861 5 40 JJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408564821 FWFHVVXWGGGWBF-UMDVNSCSSA-N 499.567 4.719 5 40 JJBB Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 408587761 UJNAWGDPHIQZHQ-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 9442026 BMVQOJICKKOSHF-NSHDSACASA-N 476.308 4.665 5 40 JJBB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269901 RCZYRYZOOSKJHS-UHFFFAOYSA-N 458.543 4.893 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 16045977 VHEBGGHBYRZJDH-MRXNPFEDSA-N 475.530 4.970 5 40 JJBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2[N+](=O)[O-])CC1 20897699 BXLVUSXBCLYDHM-UHFFFAOYSA-N 471.517 4.955 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2[N+](=O)[O-])CC1 21595995 ZUNDETDMNROUAL-UHFFFAOYSA-N 456.568 4.513 5 40 JJBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 32111865 FDZZRNICGBCYPK-CSKARUKUSA-N 459.487 4.633 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 35851910 IQEGCBKLGKPGQO-LNEBKTTKSA-N 489.528 4.553 5 40 JJBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102758499 OFCILHBPDUWKEH-DNVJHFABSA-N 477.904 4.862 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224114872 IHRBDOYHSKJXGN-HSZRJFAPSA-N 469.607 4.694 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 897264 PVHHOICCQUZSCP-UHFFFAOYSA-N 480.937 4.930 5 40 JJBB Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br 915479 PZLOMUQABRFUDO-UHFFFAOYSA-N 482.747 4.537 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6157212 WDTSSHXWRYWXJG-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 6600499 GNWCIOGDFYNJEW-UHFFFAOYSA-N 473.507 4.591 5 40 JJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2OC(F)F)c1 8951411 OBYCPLWKXIPUQG-UHFFFAOYSA-N 487.444 4.684 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2Cl)cc1 22533934 LQLUENHCCZOJRR-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F 32859863 HRVFZIJJOCLICC-UHFFFAOYSA-N 464.421 4.519 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 223560930 PWFPZGWQJNPVAA-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Br 408572183 QSLCHHHMYPFSDO-SFHVURJKSA-N 463.357 4.765 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 409213544 PQDSOGTYQFFXEX-APSNUPSMSA-N 466.302 4.885 5 40 JJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2225401 DYJQZQGGMMOGOM-UHFFFAOYSA-N 478.486 4.547 5 40 JJBB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 13114455 WKEZLRVKOCISGH-UHFFFAOYSA-N 453.495 4.974 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13540326 WYCBNYHPRJBYPC-IPVQETTRSA-N 485.565 4.722 5 40 JJBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 14275781 CWHFCCUEJQVFLJ-UHFFFAOYSA-N 474.546 4.635 5 40 JJBB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 14366876 SZLNYWLLRBEWIA-UHFFFAOYSA-N 494.551 4.953 5 40 JJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224741046 LGQAFOCJDOAZHM-JOCHJYFZSA-N 475.586 4.547 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 6232808 GDCOIAAFAQJRNE-LQDNNDEMSA-N 489.325 4.928 5 40 JJBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cccc1[N+](=O)[O-] 8810304 SLISPJBGFWEXGK-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB Nc1cc(S(=O)(=O)N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)ccc1Cl 9090453 BWCILYKHCAGOPN-JXMROGBWSA-N 492.340 4.919 5 40 JJBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)C[C@@H]1c1ccccc1 9420246 HCOMUMJIHYSWFU-HSZRJFAPSA-N 452.470 4.801 5 40 JJBB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC 12442267 FOWINSVVFBICMF-UHFFFAOYSA-N 479.518 4.790 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 16429299 JCRZOGPXLBGCGJ-UHFFFAOYSA-N 473.319 4.835 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 872688 GFYZDIBCZJZWCC-UHFFFAOYSA-N 480.937 4.930 5 40 JJBB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878542 XWMQVFOAPDHCTK-CQSZACIVSA-N 474.974 4.899 5 40 JJBB COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc2ccccc2c1Br 8833229 MAANZXXUZXUAPT-UHFFFAOYSA-N 474.336 4.954 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 9209543 RYZYEFDVPIMKHC-SDHSZQHLSA-N 465.465 4.799 5 40 JJBB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)c1 9305024 AYBQZXOBEQOXBB-UHFFFAOYSA-N 480.575 4.861 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 16045550 FMMWCAQUDUBDIM-VIFPVBQESA-N 474.105 4.534 5 40 JJBB CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C(=O)OC)c2C)cc1 6601199 IOTCXEOWNIRWPG-UHFFFAOYSA-N 497.529 4.963 5 40 JJBB C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 8691124 ADWIPVJBIDKVKS-JTQLQIEISA-N 480.359 4.891 5 40 JJBB aggregator Cc1cc(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1nccs1 13017581 GYROREHKNCDHSJ-LBPRGKRZSA-N 496.467 4.704 5 40 JJBB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 205686696 HLTDNEWATOPPAZ-UDWIEESQSA-N 464.455 4.878 5 40 JJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2CC)cc1 409167376 IPIGZFKKBHWKCA-INIZCTEOSA-N 469.567 4.948 5 40 JJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O 409180900 UFFYPBJZQFKIAP-UHFFFAOYSA-N 470.359 4.771 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1[N+](=O)[O-] 8902700 APZYNSSXQUYLLH-UHFFFAOYSA-N 452.448 4.701 5 40 JJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)c1 9144983 CONXDDHWDWBIKF-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272010 VFKNZNMBCLSKPL-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 15438926 SHRLWVOMRVBRGH-UHFFFAOYSA-N 475.910 4.700 5 40 JJBB COc1ccc(CNC(=O)CSc2nc3cc(Cl)c(C)c(Cl)c3o2)cc1[N+](=O)[O-] 20295422 WWVGNQNETUPFPD-UHFFFAOYSA-N 456.307 4.768 5 40 JJBB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 22475435 QPHKDDFGUVITEF-UHFFFAOYSA-N 483.527 4.634 5 40 JJBB COc1cc(CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C2CC2)ccc1OC(F)F 24030754 BFJQWWGHGMEMCW-UHFFFAOYSA-N 475.492 4.612 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 35851599 JBMAJIRBABAZQR-KDNSLJGTSA-N 495.557 4.614 5 40 JJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)nc1 408605904 NJPAKQJHDMKPNB-UHFFFAOYSA-N 470.308 4.857 5 40 JJBB CCOC(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 9042884 SIGATFWADOGKQC-UHFFFAOYSA-N 461.572 4.698 5 40 JJBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 9310209 DTEBZRCDNINNBQ-UHFFFAOYSA-N 468.344 4.935 5 40 JJBB CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257379 SMKYREVIGBBHPJ-HNNXBMFYSA-N 458.902 4.813 5 40 JJBB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 22535475 UHZNUXLOPPVUGB-UHFFFAOYSA-N 453.524 4.609 5 40 JJBB CN(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 39750770 MQCCPILKHUAFSV-UHFFFAOYSA-N 488.529 4.684 5 40 JJBB Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 57314052 PXLMHDXIGIYEOX-ZRDIBKRKSA-N 472.486 4.981 5 40 JJBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408569112 IWRVAEZGVMVFAI-IBGZPJMESA-N 493.383 4.774 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1 9010509 ZEJLZICEGFJMEY-UHFFFAOYSA-N 489.513 4.936 5 40 JJBB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12798176 KMEBDJXUFCJXPC-OALUTQOASA-N 461.566 4.806 5 40 JJBB Cc1cc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)s1 15497362 WIUIMRHLRLKLON-UHFFFAOYSA-N 486.980 4.511 5 40 JJBB CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 252506417 SSQAXSNCMRBPGJ-LXQWYYQBSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 408623239 RHKFIMMSMUWTAI-PJYWLYPCSA-N 458.901 4.993 5 40 JJBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 409008989 QDBXAVHAXIDEEC-BKUYFWCQSA-N 488.452 4.566 5 40 JJBB O=C(CCSCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 2086074 OIDTXYHICFZHIK-UHFFFAOYSA-N 487.321 4.900 5 40 JJBB CN(C)c1cccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 9444002 XGODWUKPNJLDKF-NRFANRHFSA-N 453.882 4.851 5 40 JJBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274365 GSWZUIXHGQXPSC-UHFFFAOYSA-N 493.545 4.557 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 18210725 PDPTXUPALMOZPR-UHFFFAOYSA-N 463.471 4.734 5 40 JJBB Cc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c2nc3ccccc3n12 96295624 KARHHDAFPWUWSW-UHFFFAOYSA-N 459.575 4.642 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 408569759 XTOLVERTUVVGGT-AWTIUKJOSA-N 489.959 4.974 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 408570075 YMOIJHABGSACNM-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1Cl 409178499 IXFGRMJDZSEYJB-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] 9638146 XCMWQNRBZCYPRA-OAQYLSRUSA-N 488.529 4.851 5 40 JJBB CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 16790680 ZJPKVLDINOZOSO-CQSZACIVSA-N 455.795 4.664 5 40 JJBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 32115166 RHAJANSFZSUEAB-UHFFFAOYSA-N 452.492 4.576 5 40 JJBB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 32876745 PQLARNGNWMKCJQ-UHFFFAOYSA-N 480.933 4.987 5 40 JJBB Cc1cc(C)n(-c2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)n1 48302724 HGPGQICHXJDQQM-UHFFFAOYSA-N 461.444 4.535 5 40 JJBB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 72280657 GYMVVCWHASLRLT-QGZVFWFLSA-N 451.342 4.822 5 40 JJBB CCCCn1/c(=N\C(=O)c2cccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176560 XONTVUHSFBYQDW-ZXPTYKNPSA-N 494.551 4.520 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 222961487 ZGBDGVYIUAAHMG-UHFFFAOYSA-N 467.547 4.739 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223226544 BMNOEWJOCOFYRQ-QFIPXVFZSA-N 471.623 4.859 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408688349 WAXSAJUNHQVCEJ-JEBQAFNWSA-N 490.343 4.880 5 40 JJBB COCCOC(=O)c1sc2nc3c4ccccc4c(-c4ccc(C)c(C)c4)nn3c(=O)c2c1C 2106958 FYCLARDCTKNIQP-UHFFFAOYSA-N 473.554 4.853 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCNS(=O)(=O)c1ccc(Br)cc1 9721099 LCHMSUQUIJJASL-UHFFFAOYSA-N 496.305 4.547 5 40 JJBB C[C@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)C[C@H]2C=C[C@H]1C2 408710443 CIJJJTGWAFDXQD-NPALWHDTSA-N 475.530 4.906 5 40 JJBB COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409126034 DMVBVTBIZMPSJP-WOJGMQOQSA-N 493.335 4.619 5 40 JJBB CC(C)c1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1357297 BOQOVOOEZYRLGH-INIZCTEOSA-N 479.606 4.810 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2407257 NIINDCOXZXRCHU-UHFFFAOYSA-N 477.952 4.681 5 40 JJBB COc1cc(C(=O)Nc2cccc(-n3cnnn3)c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3409908 DXSSDKWXILIDPF-UHFFFAOYSA-N 480.868 4.586 5 40 JJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8898858 IJHUKNHJGIHYQY-UHFFFAOYSA-N 490.541 4.969 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)Oc3ccc4c(c3)oc(=O)c3ccccc34)C2)cc1 8952530 JQGJKFNYCYEWPK-MOPGFXCFSA-N 491.565 4.697 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@H](C)c1ccccc1 9295461 WSLVATVGVHPJDS-SICOMBFOSA-N 451.479 4.717 5 40 JJBB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 22530223 MFGHRONFHKTNLU-UHFFFAOYSA-N 450.520 4.571 5 40 JJBB CC(=O)c1ccc(N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c([N+](=O)[O-])c1 62566509 OLGYBSQJFMVGCB-AWEZNQCLSA-N 489.454 4.749 5 40 JJBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 408562909 GQEARCAJSVBEKN-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=c1c2cc3ccccc3cc2ncn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 636934716 NKDIYNJPPDMAGM-DEOSSOPVSA-N 472.491 4.995 5 40 JJBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2247148 UEVWGCIVKLAWCY-OAHLLOKOSA-N 463.900 4.564 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 3465769 ZVMWMNWWNQPKIW-HNNXBMFYSA-N 479.518 4.623 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 8923496 APIUUMDSJOGYQO-QHCPKHFHSA-N 471.296 4.909 5 40 JJBB COc1ccc(Oc2ccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2[N+](=O)[O-])cc1 89453841 YOIFZVNGKVDNJO-YBFXNURJSA-N 461.386 4.648 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223588012 SXHQDSBWRYRQIO-JOCHJYFZSA-N 487.622 4.559 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225460071 RVMKGBHLGOBROV-PGRDOPGGSA-N 457.596 4.550 5 40 JJBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C 408657528 UMCNIDMXFXSAOE-FQEVSTJZSA-N 488.496 4.783 5 40 JJBB O=C(OCC(=O)c1cccc2ccccc12)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409176676 USEQKXGLAOMXQY-UHFFFAOYSA-N 480.432 4.588 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409201514 LUGZYQJCNNQYMI-UZPSYVQNSA-N 458.492 4.850 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 3251989 VQJSYXCFSLBSPR-UHFFFAOYSA-N 483.452 4.870 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1OC 8834545 QVLINIQKZKFPGR-UHFFFAOYSA-N 469.545 4.669 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1Cc1ccco1 9059421 CULJGGGZAVWCJQ-UHFFFAOYSA-N 479.518 4.542 5 40 JJBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274361 CDRWRUYHCYUWBP-UHFFFAOYSA-N 488.013 4.966 5 40 JJBB O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 215011873 YMUSEAQSLYPSIJ-HYARGMPZSA-N 489.509 4.849 5 40 JJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222508184 IQVRLYCTEZWWKX-NRFANRHFSA-N 478.014 4.813 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 223519906 LZKMVDOCLZUAQZ-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1Cl 408562932 HBAOMYOQDPZZTI-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2C)cc1[N+](=O)[O-] 409157624 RIMBRONJBXMARS-CYBMUJFWSA-N 461.931 4.556 5 40 JJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409182261 JLBAATWIJOXZAP-UHFFFAOYSA-N 455.404 4.919 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 409325622 YWZGFQYJEHSZCB-UHFFFAOYSA-N 493.463 4.756 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])cc1 4088165 NXQHIKJXLARFSJ-UHFFFAOYSA-N 450.501 4.704 5 40 JJBB O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 10037738 FQPKQEKHQNRPJV-UHFFFAOYSA-N 456.502 4.916 5 40 JJBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16525125 JKUBFURSRCAJQH-UHFFFAOYSA-N 477.908 4.880 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503337 NCCQVXXQHDZUMO-YQORSWRPSA-N 465.292 4.778 5 40 JJBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224595134 RDYIGASVNZZARS-HSZRJFAPSA-N 471.623 4.716 5 40 JJBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 409184732 ZXOVDZNWAQTNCV-RUZDIDTESA-N 491.456 4.698 5 40 JJBB O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 1314614 MCMMNPQWDQQRMU-XMMPIXPASA-N 458.905 4.683 5 40 JJBB Cc1cc(NC(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 3370491 SYIVTULOLLXJHI-UHFFFAOYSA-N 481.408 4.857 5 40 JJBB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 12344337 XOESVFABMPZRSJ-RQZCQDPDSA-N 477.292 4.519 5 40 JJBB COc1ccc(NC(=O)c2nnc(COc3ccc([N+](=O)[O-])cc3-c3ccc(OC)cc3)s2)cc1 12727376 MFRODOCVSGTGFS-UHFFFAOYSA-N 492.513 4.962 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 18037774 SZNGISRRWCCVBE-SVFBPWRDSA-N 484.295 4.953 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1[N+](=O)[O-] 20610754 TUHCAHXCEVWUGE-UHFFFAOYSA-N 467.869 4.642 5 40 JJBB COc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@H]3C(C)C)C2=O)cc1 33821857 RZBDQFIMCYYPGM-NVQXNPDNSA-N 494.548 4.756 5 40 JJBB O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102766975 AWEMUSNXCYCNEW-PWRODBHTSA-N 483.402 4.665 5 40 JJBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)c([N+](=O)[O-])c2)C1 109018665 ZLLXECBVIHKPCF-IAGOWNOFSA-N 486.594 4.537 5 40 JJBB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)S(C)(=O)=O)c1 224083975 BOQWFWTZTAFHGP-UHFFFAOYSA-N 467.547 4.739 5 40 JJBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 2404522 COXCRIARTMFQKJ-UHFFFAOYSA-N 457.534 4.655 5 40 JJBB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2409441 WJUPWKCVNUFNRH-QFIPXVFZSA-N 479.554 4.616 5 40 JJBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 9192048 JRNMOLREWQDQFJ-UHFFFAOYSA-N 486.620 4.885 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 10178215 QNTZHWVOGCVCQX-UHFFFAOYSA-N 451.533 4.943 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223947475 KJFLIVCQAHZWNN-QHCPKHFHSA-N 487.622 4.560 5 40 JJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 408556175 ICTNEXWIHPTQRW-UHFFFAOYSA-N 486.322 4.996 5 40 JJBB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408657541 UMRYCCOORQPNHY-FQEVSTJZSA-N 488.496 4.783 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2428168 LQYSTPJVKVNJIK-UHFFFAOYSA-N 461.953 4.731 5 40 JJBB Cc1ccc(Nc2nnc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)s2)cc1 3347592 HRBVTTDIJRHQIJ-UHFFFAOYSA-N 458.550 4.839 5 40 JJBB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8435659 XMIXASDDCJQXRG-MRXNPFEDSA-N 475.530 4.727 5 40 JJBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1 33446827 QWMUKUGPYXATHZ-WUXMJOGZSA-N 495.532 4.708 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43716726 RCLIYRAWEGKYHJ-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n(C)n1 48299914 JIZGVNKTYLCXIW-UHFFFAOYSA-N 454.502 4.628 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 102572590 ZHSXWBZNQBSUEY-ILBGXUMGSA-N 481.512 4.965 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409211960 OXEBRLITLBKFEU-YBFXNURJSA-N 458.492 4.851 5 40 JJBB Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730985 FYMJULBYTRWOBK-NSHDSACASA-N 490.952 4.844 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1[N+](=O)[O-] 9896617 JWZUSIAUXCGFQA-QFIPXVFZSA-N 465.531 4.681 5 40 JJBB COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)oc1ccccc12 58219017 BOKQNHQJHMNFNQ-KRWDZBQOSA-N 474.517 4.652 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408684551 NSWBMKOMGWQMOS-FUHWJXTLSA-N 488.327 4.800 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408918100 GDSJCFRXKMWSCH-CAZKKTPXSA-N 465.292 4.995 5 40 JJBB COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1Cl 8835594 DMYXNEXKLSMOHI-UHFFFAOYSA-N 498.948 4.944 5 40 JJBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14271945 BIOFAAVWLHXXGT-UHFFFAOYSA-N 467.350 4.513 5 40 JJBB COc1ccc(-c2nn(CN(Cc3ccccc3[N+](=O)[O-])CC(F)(F)F)c(=S)o2)cc1OC 62581174 QVDXLWHNZRPMGZ-UHFFFAOYSA-N 484.456 4.820 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224202184 PJCCDPZYBUXMOH-VWLOTQADSA-N 493.991 4.957 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1Br 409373839 VKOLFPKXLYZYSC-NFJKTXFASA-N 489.325 4.543 5 40 JJBB Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 863702 DBQWIQQONJRGEP-UHFFFAOYSA-N 474.546 4.827 5 40 JJBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 2720962 HUWKKYGJEKDUQB-UHFFFAOYSA-N 489.488 4.645 5 40 JJBB Cc1ccc(-c2cc(NC(=O)COC(=O)c3cccc([N+](=O)[O-])c3C)n(-c3ccccc3)n2)cc1 3448877 DOOBVDWXXNUANP-UHFFFAOYSA-N 470.485 4.860 5 40 JJBB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9339512 QKFOAPUTTBRESJ-UHFFFAOYSA-N 478.888 4.615 5 40 JJBB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 9689937 UJNZKGOEFGWIRI-UHFFFAOYSA-N 468.720 4.527 5 40 JJBB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153056 YWXGIBHNILMLMG-UHFFFAOYSA-N 497.360 4.717 5 40 JJBB COc1ccc([N+](=O)[O-])cc1Oc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25764660 OOWAVZMDFOEXDE-UHFFFAOYSA-N 478.530 4.900 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] 408919032 RWBRMKJGXCXNHC-LQDNNDEMSA-N 489.325 4.806 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccccc1 6194301 PJDYKQMTPINMET-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCNc1ccc([N+](=O)[O-])c2cccnc12 8691117 LKTROXDHPNVMHN-UHFFFAOYSA-N 480.359 4.892 5 40 JJBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12763039 YKBQINGWNGDMBO-UHFFFAOYSA-N 466.460 4.549 5 40 JJBB Cc1sc2nc3c4ccccc4c(NCc4ccccc4CN4CCOCC4)nn3c(=O)c2c1C 23983011 XDYHPXOKJLCFIR-UHFFFAOYSA-N 485.613 4.519 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 32124981 RXGWVLZITKUEHK-YVLHZVERSA-N 495.376 4.678 5 40 JJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224556710 BZGJLGOMKUGJIY-QHCPKHFHSA-N 471.623 4.716 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 408695381 QHIVDBMEKGUPBM-UHFFFAOYSA-N 482.269 4.996 5 40 JJBB Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F 3417527 MARRBKOGCNXIQK-UHFFFAOYSA-N 485.855 4.744 5 40 JJBB O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8832870 QVRGGKPJBQYTGN-UHFFFAOYSA-N 493.282 4.586 5 40 JJBB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)cc1[N+](=O)[O-] 9518476 ZIKOMNQYTIRCJB-UHFFFAOYSA-N 459.414 4.883 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(=O)oc2cc(Br)ccc12 10722929 AFGXCGAUBPLUAA-UHFFFAOYSA-N 490.309 4.767 5 40 JJBB Cc1ccc(Sc2ccc(C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])cc1 13097566 PFQNDIVKICTLBX-UHFFFAOYSA-N 490.497 4.900 5 40 JJBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 15911777 QLUKHHYIHQKVCK-MRXNPFEDSA-N 454.792 4.534 5 40 JJBB Cc1cc(C)c(OCC(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 19894049 PLTCPTMGSOZNHY-UHFFFAOYSA-N 472.748 4.520 5 40 JJBB C[C@@H](OC(=O)c1ccc(-c2cccnc2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 79112770 KETXYNMUOYABPE-LLVKDONJSA-N 465.409 4.921 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408566086 MTJYGINMOFYIKJ-VIQOPKQKSA-N 481.911 4.626 5 40 JJBB CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 1905807 YVCDCXUEPGGYPN-FGZHOGPDSA-N 495.488 4.655 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(I)c1 8832073 FLJNPAYVHKXJMT-UHFFFAOYSA-N 451.245 4.575 5 40 JJBB COCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9885248 NXGGBTLJUWDCRP-UHFFFAOYSA-N 453.307 4.713 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])CC2 12853922 DIOGFBSKAARZGA-XMMPIXPASA-N 467.547 4.568 5 40 JJBB COc1ccc(CN(C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H](C)Cc2cccs2)cc1 13159792 UGYDSKUBWWMZCX-GOSISDBHSA-N 482.558 4.790 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 408728649 QPXNMHLVNCCPDO-URFUVCHWSA-N 458.901 4.993 5 40 JJBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cccc1[N+](=O)[O-] 408923227 GJUJGDIIIOZVNY-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1cccc2ccccc12 2720085 OORGOURXMIZXLN-UHFFFAOYSA-N 490.566 4.673 5 40 JJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 9848750 NYDSFYORSTZGIV-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB COc1cc(COC(=O)Cc2csc(-c3ccsc3)n2)c([N+](=O)[O-])cc1OC(F)F 11511786 MMUBVIVWGGZVMI-UHFFFAOYSA-N 456.448 4.676 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519596 RLNBELBECOHQEU-NZCWTCFWSA-N 489.528 4.553 5 40 JJBB C[C@@H](NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc2c(c1)OCCO2 21314428 QDBXDKCUQDHIND-MRXNPFEDSA-N 470.554 4.776 5 40 JJBB O=[N+]([O-])c1cccc([C@@H]2CC(c3cccc(Br)c3)=NN2S(=O)(=O)c2ccccc2)c1 89847716 OHSDRDZYHAKELX-NRFANRHFSA-N 486.347 4.897 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 409147861 WQWKCSXANTUQSK-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177974 HXXRRHYMHPHGEH-QHCPKHFHSA-N 482.876 4.996 5 40 JJBB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc([N+](=O)[O-])cc1Cl 9738845 QIECUPXUBXWDJT-UHFFFAOYSA-N 477.951 4.704 5 40 JJBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 33625352 NTGPWAVOBNRUQN-UHFFFAOYSA-N 456.241 4.955 5 40 JJBB O=S(=O)(O)c1ccccc1-c1ccnc2c1ccc1c(-c3ccccc3S(=O)(=O)O)ccnc12 34612893 FHWUTUVZPFPQTF-UHFFFAOYSA-N 492.534 4.610 5 40 JJBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1 409335019 NIDAMJRMCJAOAW-UHFFFAOYSA-N 486.539 4.629 5 40 JJBB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 2360899 JXDOIBXGLKKQKX-UHFFFAOYSA-N 454.486 4.985 5 40 JJBB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cc([N+](=O)[O-])ccc1Cl 9569399 BBIYDEFYDMAQCE-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 10916987 PJLKPUQPCPWWHB-UHFFFAOYSA-N 453.307 4.600 5 40 JJBB CCCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])n2)cc1 25055170 BCLYPTMKALHIMK-UHFFFAOYSA-N 471.535 4.957 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)c(C)c1 102760887 TXRMFAGOPOCSLU-RJGXRXQPSA-N 477.904 4.916 5 40 JJBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106736617 CXOWSZIDUGCIMC-XRVIQIRUSA-N 497.710 4.976 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409173770 RTFMKXWAJJPMGU-UDWIEESQSA-N 479.876 4.933 5 40 JJBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc(Br)cc1 1378955 MXDJJOPUKUJFOY-UHFFFAOYSA-N 461.297 4.627 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 3381580 QCRGDRQNUFTLNG-AWEZNQCLSA-N 494.508 4.505 5 40 JJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 9956905 NPCVHWDBZZCNAI-ZBLYBZFDSA-N 489.524 4.719 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC 15019497 VEBBXPFCHVZWBF-UHFFFAOYSA-N 476.514 4.835 5 40 JJBB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22707852 SOWJIYCCNIDSHZ-UHFFFAOYSA-N 471.863 4.773 5 40 JJBB O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 89780793 WCXXQRNMLPSGFV-QCOUUILKSA-N 475.457 4.761 5 40 JJBB O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8826323 AKFRAQLYILQKBO-UHFFFAOYSA-N 487.310 4.755 5 40 JJBB O=C(CSc1nncn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 9119477 ZMMNHTYHCBTBFT-UHFFFAOYSA-N 464.482 4.789 5 40 JJBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1SC(F)F 10723100 FTAJNNLVPOTEJT-UHFFFAOYSA-N 468.481 4.651 5 40 JJBB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23660143 GXHHFKHLQACGJH-UHFFFAOYSA-N 460.412 4.539 5 40 JJBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O 409209713 HYWLVVDOEIUWRU-SXGWCWSVSA-N 490.335 4.649 5 40 JJBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c3ccccc3n2)cc1 3302463 CUOQBSQMDYNPTQ-UHFFFAOYSA-N 487.468 4.623 5 40 JJBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NC12CC3CC(CC(C3)C1)C2 8945733 LCAURMNXUSTHML-UHFFFAOYSA-N 458.898 4.750 5 40 JJBB Cc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9711924 IKTGTZXBMZJOLF-UHFFFAOYSA-N 473.938 4.630 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC 16973387 YAWCTUFQIZDGAG-BWKNWUBXSA-N 482.512 4.539 5 40 JJBB O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 32810180 OYKKIWSIXXUJPU-UHFFFAOYSA-N 483.406 4.854 5 40 JJBB Cc1c(CCOC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 100816387 OUPFXMHBJIZEQW-SCAKWATOSA-N 455.600 4.993 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408695865 UFJHEEMSMVKWGD-UHFFFAOYSA-N 464.279 4.857 5 40 JJBB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 14183327 RMNWGTAMDKEILS-HXUWFJFHSA-N 487.484 4.540 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl 20610788 DKHBDXYYVSJEGE-UHFFFAOYSA-N 458.261 4.896 5 40 JJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Br)ccc1Cl 22707847 YPVYKUDLRDSHOV-UHFFFAOYSA-N 471.745 4.747 5 40 JJBB O=C(COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 408606612 JCBAPYSOZKTUNO-UHFFFAOYSA-N 456.296 4.987 5 40 JJBB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)s2)cc1 9982868 GUVSZJXKQDHTSG-LBPRGKRZSA-N 459.553 4.880 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])c1 10021879 QXUKKARKZJOHJK-UHFFFAOYSA-N 465.531 4.906 5 40 JJBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12521760 SVFAVFYZQAUGKB-UHFFFAOYSA-N 481.474 4.661 5 40 JJBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 14273475 HXFUNNJBRMRPMD-UHFFFAOYSA-N 462.506 4.556 5 40 JJBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408654512 QRYDJLUHXSTKFL-LJQANCHMSA-N 491.887 4.563 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)cc(C)c4)cnc32)cc1OC 2374513 XMRGWGIYVXNTMN-UHFFFAOYSA-N 477.524 4.907 5 40 JJBB O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1 8722215 PKWHCFJGRBMCEM-HYARGMPZSA-N 489.509 4.849 5 40 JJBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)cc(OC)c1OC 9327942 OZGWHPDDCGRHAL-UHFFFAOYSA-N 466.497 4.580 5 40 JJBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SCc3ccccc3)[nH]c2=O)N1 9415393 CZZHHBSTNGKJOV-FQEVSTJZSA-N 492.557 4.753 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-] 12604717 FSFZWKAKIPYXBG-JOCHJYFZSA-N 479.558 4.551 5 40 JJBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399967 HHKFNDMBPAWOAN-UHFFFAOYSA-N 480.285 4.987 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20101694 PIHWZSSHCMEQBB-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB CCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 33074087 CIVIULCPXHSFAT-UHFFFAOYSA-N 488.569 4.785 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)cc1[N+](=O)[O-] 408600008 QTEYBAWXPSSYGH-UHFFFAOYSA-N 482.349 4.648 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408684486 NPHBHPQHNMFUBQ-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1 409201762 PNRQOVNZVAATEC-WOJGMQOQSA-N 468.263 4.710 5 40 JJBB O=C(Nc1ccc(Cl)cc1Cl)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 820401 MAPSYSJNVIOXRZ-HXUWFJFHSA-N 484.295 4.748 5 40 JJBB O=C(COc1c(Br)cc(Br)c2cccnc12)Nc1ccc([N+](=O)[O-])cc1 9138684 OVVBFEAHOKNXKJ-UHFFFAOYSA-N 481.100 4.686 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 17822355 XDGUDTSUVLEHAK-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223030497 AKHSZPQFZBLWQO-IAGOWNOFSA-N 478.014 4.813 5 40 JJBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409199245 ANAHUJYIKBVIGG-NDENLUEZSA-N 490.497 4.766 5 40 JJBB O=C(O[C]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 1560411612 OCHRDHGXJJMGMV-UHFFFAOYSA-N 483.655 4.830 5 40 JJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCc1c[nH]c2ccccc12 8792229 SYIMWSFFFRSEHK-UHFFFAOYSA-N 486.531 4.811 5 40 JJBB biogenic O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8835410 STZIONTYBIIOKK-UHFFFAOYSA-N 475.983 4.975 5 40 JJBB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062486 VGFNNQFSQDDJSZ-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 12977954 VPROSHREWMGYBR-DEOSSOPVSA-N 467.547 4.568 5 40 JJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224427009 DGDUAIWMTHKHCZ-RUZDIDTESA-N 491.563 4.831 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225152327 XZEZUUFEPBWCNS-SFHVURJKSA-N 487.597 4.833 5 40 JJBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2)cc1 408568276 SWZFHOQVBVDZBF-RVUATISTSA-N 469.541 4.629 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 408621410 OAWVTJVLEHIORO-UHFFFAOYSA-N 484.290 4.948 5 40 JJBB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409236861 GKJADNAIDLDQKK-WOJGMQOQSA-N 459.886 4.529 5 40 JJBB O=C(Nc1ccc(Cl)cc1Cl)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 820400 MAPSYSJNVIOXRZ-FQEVSTJZSA-N 484.295 4.748 5 40 JJBB COc1cc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 848714 LVBIMBSHXLONLF-UHFFFAOYSA-N 471.395 4.893 5 40 JJBB COc1ccc(NC2=C(CC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(OC)cc3)C2=O)cc1 2360445 VGVHDIAQCFSRSU-RUZDIDTESA-N 489.484 4.541 5 40 JJBB O=C(CCCSc1ccccc1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3424610 QAUAQFXFGFBDHZ-UHFFFAOYSA-N 456.545 4.939 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 6886543 JQVBAHZFUSUKQC-UDWIEESQSA-N 463.471 4.838 5 40 JJBB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 9046196 FDZGIBMCXYYELL-RCZVLFRGSA-N 487.512 4.660 5 40 JJBB biogenic CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9492188 HNFXULIAWRNTKV-DHIUTWEWSA-N 452.942 4.821 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 18118815 FPWJGVZMUJRDLG-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 103954875 VFROVPQNBYBLSL-UKILVPOCSA-N 462.465 4.531 5 40 JJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 409201189 MEYOYUGGDBNHNM-IUXPMGMMSA-N 496.328 4.975 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409218370 ILHZSSCPXWIFPD-PXNMLYILSA-N 481.711 4.930 5 40 JJBB COc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 2733437 JUBJWRUXRJPTRK-UHFFFAOYSA-N 499.911 4.515 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 13770093 HBUZQWRNNGDBEB-LJQANCHMSA-N 481.258 4.802 5 40 JJBB O=C1N[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)S/C1=C\c1ccc([N+](=O)[O-])cc1 14904555 UGBYMRIZRXQTGC-DROCLJBVSA-N 470.510 4.654 5 40 JJBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 27020476 OZIQJYZSSGJEQV-FQEVSTJZSA-N 498.417 4.610 5 40 JJBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 33625643 ALXBJORZQAZYOW-UHFFFAOYSA-N 456.241 4.955 5 40 JJBB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc12 3326221 YQKGERNNUHIXET-UHFFFAOYSA-N 451.460 4.527 5 40 JJBB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 215702857 ZXRQZBCRHKQKTN-ZHZULCJRSA-N 471.391 4.903 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225558182 KQNDWEQZPWEGGW-AUSIDOKSSA-N 471.623 4.859 5 40 JJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409222982 FTSKHZCQMXHNGK-CIAFOILYSA-N 464.455 4.783 5 40 JJBB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 9506744 PNWSCIDTNYYGJP-GDXASINISA-N 497.529 4.709 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C(C)C)cc1 9963974 KNSLUZSVSJHYCQ-UHFFFAOYSA-N 461.931 4.827 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 12989458 RKTZUAFFYITZBA-XMMPIXPASA-N 467.547 4.568 5 40 JJBB O=C(OCc1ccccc1)C1=CNC=C(C(=O)OCc2ccccc2)C1c1cccc([N+](=O)[O-])c1 19418940 GMDAPUBOFJXRMO-UHFFFAOYSA-N 470.481 4.536 5 40 JJBB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C\c1ccc(OC)cc1 101185224 BLYDXGHPTSXNEC-APSNUPSMSA-N 477.385 4.776 5 40 JJBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225195627 POBWUHGNRHOQPK-OAQYLSRUSA-N 478.014 4.815 5 40 JJBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 408576466 VLRRAYGFULJJLT-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 409218090 SNYGQWHQUXWGGY-ODLFYWEKSA-N 458.492 4.851 5 40 JJBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cc2[N+](=O)[O-])C1 15910181 LESBKKJJCFNPQV-CQSZACIVSA-N 479.505 4.941 5 40 JJBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 103117606 DJUVYEUOMOBQDB-CGWFDZAZSA-N 478.504 4.920 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225514589 AUQLKGPYJMJACC-LOSJGSFVSA-N 499.552 4.861 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225558273 KQNDWEQZPWEGGW-CVDCTZTESA-N 471.623 4.859 5 40 JJBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408921949 MHEHAWGJQGNQDV-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409365118 XMNYVCVVOHLIJL-UHFFFAOYSA-N 475.958 4.786 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 826091 NRROACQGDDPSJW-UHFFFAOYSA-N 480.517 4.881 5 40 JJBB biogenic O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 9425915 QECGZHFLZGHDQT-UHFFFAOYSA-N 484.258 4.616 5 40 JJBB CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13137411 MCEVQNSHTAFARY-UHFFFAOYSA-N 483.933 4.900 5 40 JJBB O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 13563296 PUKZEZUPUAVYPT-UHFFFAOYSA-N 471.579 4.682 5 40 JJBB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 19928999 ZWWAHEJTAIVJCL-UHFFFAOYSA-N 485.305 4.700 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223980186 SRQIPYBZAVTFRJ-HNNXBMFYSA-N 478.376 4.920 5 40 JJBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2409442 WJUPWKCVNUFNRH-JOCHJYFZSA-N 479.554 4.616 5 40 JJBB CCOC(=O)c1c(NC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)sc2c1CCCC2 3199548 DLPUENDWNPLHSE-JXMROGBWSA-N 466.462 4.965 5 40 JJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14275256 QZORDGBNLFRPDO-UHFFFAOYSA-N 491.279 4.652 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)cc2)cc1 14411745 GMVVJTAJTZPUQF-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223835915 NLOZAJLFEJUNPM-AWEZNQCLSA-N 484.405 4.688 5 40 JJBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409193554 GMENOGNCBDARJO-NTUHNPAUSA-N 455.673 4.957 5 40 JJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2400790 AIMFHTAUDLNUMJ-MRXNPFEDSA-N 457.534 4.525 5 40 JJBB O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 9662180 OVFWDEDZQACOTK-QHCPKHFHSA-N 452.470 4.900 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 12630245 WVNMTRDAZREBQR-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1ccccc1 102041889 UDPNAJIOTBAVHI-UHFFFAOYSA-N 465.422 4.627 5 40 JJBB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328502 ZUPKNBOBUFYZSO-UHFFFAOYSA-N 477.546 4.978 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccccc1[N+](=O)[O-] 21576158 GXMRDXFOXWTLCS-UHFFFAOYSA-N 470.485 4.556 5 40 JJBB O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl 52521502 BVJFKFSYTRIHET-UHFFFAOYSA-N 492.281 4.899 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 59503340 NCCQVXXQHDZUMO-ZRDDSIGQSA-N 465.292 4.778 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224530528 VTFAUEIJPAEBCH-DEOSSOPVSA-N 499.633 4.703 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1C 409164737 NBALBZWXWNLCKA-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 35166411 NFVPIUHZQRUORL-DUOVIKOCSA-N 488.931 4.552 5 40 JJBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC(C)C 224769621 SWJVGLWNKPUCMT-AREMUKBSSA-N 473.573 4.610 5 40 JJBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408528748 KTBXWSWTBOMKQY-UHFFFAOYSA-N 458.386 4.972 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Br)c2)cc1 408565456 BZLDVDFMMIPOCE-IBGZPJMESA-N 493.383 4.856 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 408569762 XTOLVERTUVVGGT-TUPPOGIXSA-N 489.959 4.974 5 40 JJBB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731104 KOEMEYIOUXHHKE-QFIPXVFZSA-N 485.562 4.725 5 40 JJBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1Cl 409176927 BFAZDLITPZIENT-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB CC(C)c1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 9064502 DHLIYFCQIZGXFL-BJMVGYQFSA-N 472.998 4.608 5 40 JJBB Cc1nc2cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1-c1ccccc1 9284428 CVTHTOOKVVJMBE-UHFFFAOYSA-N 464.865 4.691 5 40 JJBB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9512010 OXZQEBVBCKHYLI-UHFFFAOYSA-N 457.486 4.882 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 14291012 BSACPCDUCMBGBL-UHFFFAOYSA-N 489.315 4.709 5 40 JJBB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1C 14405246 LPAVSJBEEYONRI-UHFFFAOYSA-N 480.481 4.621 5 40 JJBB CCSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 22429791 WGKFDQGVGLQYDK-UHFFFAOYSA-N 471.560 4.541 5 40 JJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 32116592 GXBOBNKJWLMWFJ-UHFFFAOYSA-N 484.262 4.889 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2ccccc2)cc1 33671828 KLODYYUGCBNWDZ-UHFFFAOYSA-N 480.977 4.752 5 40 JJBB CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 60276873 LBOPRVFEYOMGKB-FPOVZHCZSA-N 481.597 4.712 5 40 JJBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)c1 223794098 GCIAYDPCWWRGRN-LJQANCHMSA-N 469.607 4.613 5 40 JJBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2249267 CZXPFBAMYSYRSR-QGZVFWFLSA-N 479.462 4.790 5 40 JJBB CCn1c(CNc2cccc(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878526 PBMNRRFCLYKKLN-ZDUSSCGKSA-N 460.947 4.591 5 40 JJBB CSc1ccc(Cl)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)c1 12446081 BSXLMQXWINUWPO-UHFFFAOYSA-N 485.997 4.735 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)ccc12 12872726 ZBPKEKDZDFJPGD-HSZRJFAPSA-N 487.508 4.970 5 40 JJBB biogenic O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 39772041 CXWCHBUUIZQGRN-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 43730812 LANUYUGYIILBSZ-ZOUOIUENSA-N 485.418 4.582 5 40 JJBB CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101143703 HVHAQXLUHGXITG-SGNDLWITSA-N 471.513 4.943 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224568055 XENYUHKPAJJHJF-DEOSSOPVSA-N 499.633 4.703 5 40 JJBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9190286 DTQUSSYQULWVOD-UHFFFAOYSA-N 464.478 4.691 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(-c2nc3ccccc3s2)cc1 9315566 JJOGGZKTOXIVNG-UHFFFAOYSA-N 497.554 4.685 5 40 JJBB O=C(/C=C/c1ccc2c(c1)OCO2)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 12619427 YRVAKNLFDFQICI-BVRWQAIYSA-N 480.860 4.913 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc12 102711919 CFLOBRJPPPOLTK-DSITVLBTSA-N 465.465 4.799 5 40 JJBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408574580 VHVYAGXIEYQVNS-FQEVSTJZSA-N 462.959 4.973 5 40 JJBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O)n[nH]2)c1 408634472 UZYJERGGSWOZAW-NDENLUEZSA-N 494.485 4.875 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCc2ccccc2C1 409214671 ZOOZMYHSKGZDOH-LSCVHKIXSA-N 492.340 4.523 5 40 JJBB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9562538 ZFHTVNLICWKWBY-UHFFFAOYSA-N 493.394 4.593 5 40 JJBB COc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14278096 XNFMLWOPZXJPFN-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1 20142813 PRGMIPCAOQQBGS-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 102725698 HTMKSIUKRBNEIZ-SDHSZQHLSA-N 465.465 4.799 5 40 JJBB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225563780 QDFRTVQKEYEGLE-HXUWFJFHSA-N 467.566 4.535 5 40 JJBB CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O[C@H]3C=C(C)C(=O)O3)ccc12 575415272 CHRFZINIRYDHJV-XMMPIXPASA-N 456.450 4.950 5 40 JJBB CCCCCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 4017377 FOWMOMRQESHFAI-CQSZACIVSA-N 455.795 4.664 5 40 JJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 13574993 DGMDLGKTAQCVET-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408816646 WLYUTFNYTAQOKX-IUXPMGMMSA-N 479.308 4.611 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3529830 ZHRYPXCHXLLXQE-UHFFFAOYSA-N 453.251 4.715 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(OC)cc2)cc1 6157207 FEFVYTWKKSEJBQ-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 9389785 GLSSOZROTVXOIL-UHFFFAOYSA-N 465.416 4.620 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3ccccc3c2=O)cc1 10441926 QSJWDXPXZHDSFR-UHFFFAOYSA-N 460.515 4.642 5 40 JJBB O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 102738407 XMYGPLNWPYZVHL-PWRODBHTSA-N 484.295 4.953 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 868705 MOYHHUSWTFWNSC-UHFFFAOYSA-N 459.531 4.806 5 40 JJBB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2C(N)=O)C1 2089686 PTRZIEGDHCXEQB-CYBMUJFWSA-N 474.539 4.765 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274736 YOMRXVOINOYGCG-UHFFFAOYSA-N 489.557 4.574 5 40 JJBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224876874 PECBVGNFSHBEPM-RUZDIDTESA-N 493.991 4.955 5 40 JJBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565379 KAMVDAGBUQBGQL-ZYEPOGDBSA-N 487.556 4.541 5 40 JJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 409051809 FDVVUIGSMHOPRA-UHFFFAOYSA-N 457.552 4.615 5 40 JJBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 4119793 CHLHJCVLWCHJMK-UHFFFAOYSA-N 452.458 4.731 5 40 JJBB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6878382 OGEXYGXKOAOMFE-UHFFFAOYSA-N 474.974 4.819 5 40 JJBB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1 8778895 BAMCPSVOFATWIT-AWEZNQCLSA-N 459.911 4.540 5 40 JJBB CSc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 9413999 SICMZNDXCMHAGG-UHFFFAOYSA-N 463.361 4.559 5 40 JJBB COc1c(C)cc(Br)cc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 10010578 NOAZDMDDOZTMFY-UHFFFAOYSA-N 452.286 4.545 5 40 JJBB CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1cccc([N+](=O)[O-])c1 12413684 CPPMZBMZGPQLSR-UHFFFAOYSA-N 453.343 4.672 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccccc2)N=C1C 16607520 VITOVSAHCTYVSZ-SVBPBHIXSA-N 479.496 4.510 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101239506 BFURDYFRTOVTEE-ZRBLBEILSA-N 493.903 4.698 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223194512 CZZRBBRWPBBEPU-QGZVFWFLSA-N 478.014 4.815 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223520059 JUWPGSDDCXMDEH-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225564429 KWCCSHKFUNCTDV-UHFFFAOYSA-N 481.593 4.927 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408686830 SHWHBSIBXZATIV-VOWSPCBNSA-N 488.327 4.656 5 40 JJBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409156120 RWBPCVYHITWWNC-UHFFFAOYSA-N 469.567 4.948 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 915374 UAEXPTCBIKTNQT-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4OC)c(C)nc32)cc1 2266282 WFZCXIGLBAOVCS-UHFFFAOYSA-N 491.551 4.717 5 40 JJBB C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccc2c(c1)OCO2 3311201 BWRXCFFHCZRSLV-CQSZACIVSA-N 498.875 4.631 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 3381584 QCRGDRQNUFTLNG-CQSZACIVSA-N 494.508 4.505 5 40 JJBB O=C(/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)N1CCOCC1 9631508 RSYAQSASCMKDLZ-HMMYKYKNSA-N 488.475 4.802 5 40 JJBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22569819 QOYCVPYFBWRSAN-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 27517288 QFHIKQFBNVQXHZ-KRWDZBQOSA-N 460.877 4.534 5 40 JJBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC(C)C 224769574 SWJVGLWNKPUCMT-SANMLTNESA-N 473.573 4.610 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O 409155021 LEPVKMXNYRDLAV-SXGWCWSVSA-N 479.308 4.698 5 40 JJBB COc1ccc(NC(=O)COC(=O)CSc2cccc3cccc(Cl)c23)c([N+](=O)[O-])c1 9335218 VVOFRCHLMPESTP-UHFFFAOYSA-N 460.895 4.684 5 40 JJBB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13591226 GSCNTPJOYXKUDZ-OAHLLOKOSA-N 461.898 4.904 5 40 JJBB O=C(Cn1cnc2cc3ccccc3cc2c1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24324843 VBDMZDYHVLFKGE-UHFFFAOYSA-N 483.549 4.616 5 40 JJBB Cc1nc(-c2ccc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)cc2)cs1 24828476 NLNWOAVASZIEFA-OAHLLOKOSA-N 472.592 4.984 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408684267 NFGRCJVDQHPFDH-DUXSXAKTSA-N 488.327 4.656 5 40 JJBB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 409179970 REXYUEWZEUIDGT-UHFFFAOYSA-N 470.275 4.976 5 40 JJBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 409180701 YVNHDCRNXKBHPD-UHFFFAOYSA-N 470.359 4.771 5 40 JJBB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 9411178 BQRZUJOAIBJIQW-GUAXBCJGSA-N 493.519 4.550 5 40 JJBB O=C(Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3)Nc1cccc([N+](=O)[O-])c1 19996709 ZZWIVZCGCYFFOW-UHFFFAOYSA-N 460.515 4.551 5 40 JJBB C[C@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 20448645 JTWTXEDHBYRQLX-AWEZNQCLSA-N 471.922 4.640 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100548520 QKCDBPJBTQIQFW-MQXWNXJFSA-N 490.941 4.546 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224614419 HWHKZEBRZKKKIU-XZOQPEGZSA-N 457.515 4.663 5 40 JJBB C[C@@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)C[C@H]2C=C[C@H]1C2 408710444 CIJJJTGWAFDXQD-ZSCHSRKISA-N 475.530 4.906 5 40 JJBB COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 409198921 GEYAACNTIBUZBF-QHCPKHFHSA-N 473.514 4.873 5 40 JJBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409235794 BQBWKHXEVIGQMC-VCHYOVAHSA-N 459.436 4.750 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 12987332 WVHYGBSYDZHZOD-QHCPKHFHSA-N 487.965 4.913 5 40 JJBB Cc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 22565009 KMFSWMCCRJEFMT-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nn32)cc1 101004876 BJOANDBKICRTSZ-RLMNYEENSA-N 494.511 4.903 5 40 JJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 408920641 LLXFQPRUVUBMRZ-UHFFFAOYSA-N 485.587 4.884 5 40 JJBB CCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409095409 BAXFFRQIMKQRAM-LICLKQGHSA-N 463.309 4.993 5 40 JJBB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccncc3)n2C)c2ccccc2)c([N+](=O)[O-])c1 9613218 MCPZGTDQCOGOEW-HXUWFJFHSA-N 460.519 4.566 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](c3ccccc3)c3nccn3C)c([N+](=O)[O-])c2)c(C)c1 9914950 XUHLSIZMWISTJB-DEOSSOPVSA-N 491.573 4.947 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 20060861 CFRPOEFUYSEBGS-UHFFFAOYSA-N 492.469 4.709 5 40 JJBB O=c1c2ccc3c(=O)n(CC[C@@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@H]1C=CCCC1)c2c34 20494360 XIDBIBBOJQPMLX-BGYRXZFFSA-N 482.580 4.558 5 40 JJBB CCOc1cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(OCC)c1OCC 22748705 GIDACMPTSVAVMD-UHFFFAOYSA-N 490.563 4.527 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408728372 KOSXUJIUXXTRFN-YCIYHOANSA-N 489.325 4.928 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408921307 GAONITHCKQYDOG-YIXHJXPBSA-N 457.895 4.701 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1 409204328 FLTLHVNULLPLLS-UHFFFAOYSA-N 496.726 4.930 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(c2cc(-c3ccco3)[nH]n2)CC1 8855418 PRZLXHLVJWLLFW-UHFFFAOYSA-N 451.361 4.889 5 40 JJBB COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 9587025 NDERVYNTMZYUJU-UHFFFAOYSA-N 496.328 4.963 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13748800 FBYSAYMXYXOGMA-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc12 14270817 GSXDMQAFQRWDIF-UHFFFAOYSA-N 469.592 4.938 5 40 JJBB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 59489087 LNUXZJDIZUVCQT-JOCHJYFZSA-N 455.392 4.871 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225037327 RTYPWUDFGFISML-HSZRJFAPSA-N 451.567 4.702 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408668315 VXBXWKHSSQDTCG-TUUBTQOTSA-N 465.292 4.692 5 40 JJBB O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 4017479 YIVHSCPFUATCOL-CQSZACIVSA-N 482.176 4.661 5 40 JJBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 8831120 DMPXRIWNAXMULR-UHFFFAOYSA-N 455.565 4.548 5 40 JJBB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8835535 MXYHOBOPLHSNDA-UHFFFAOYSA-N 483.775 4.738 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 229848095 IFNNTLRWUOBOLE-XGAJZPNHSA-N 499.910 4.521 5 40 JJBB CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 252506415 SSQAXSNCMRBPGJ-HFSOOCLMSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 408927671 ZARPLIRABVUSTE-UHFFFAOYSA-N 485.587 4.884 5 40 JJBB CC1CCN(S(=O)(=O)c2ccc(N[C@H](C)c3nc4ccccc4n3C(F)F)c([N+](=O)[O-])c2)CC1 9219768 PXXVTVWVXBKEFH-OAHLLOKOSA-N 493.536 4.933 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1 12493787 CVMHDBJCQSBMSC-ZDUSSCGKSA-N 451.464 4.728 5 40 JJBB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 16042758 SFCZJYKEFXBMQA-GOSISDBHSA-N 457.548 4.806 5 40 JJBB biogenic CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(-c4ccc(CO)o4)cc3)cc2[N+](=O)[O-])CC1 20153123 GCYWWYCRIMCJTQ-UHFFFAOYSA-N 494.573 4.710 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225136215 MFAPYMLJIIKLDM-IAGOWNOFSA-N 478.014 4.813 5 40 JJBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(Cl)cc1Cl 409350128 XMYCVDSDMVWCJX-CLTKARDFSA-N 464.261 4.861 5 40 JJBB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 8769751 ZMAVLJHTTSQGPA-VBKFSLOCSA-N 489.285 4.549 5 40 JJBB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2C(C)C)cc1 9987853 PPXBWYIMGHXMSE-AWEZNQCLSA-N 471.539 4.571 5 40 JJBB C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1Cl 11277308 UEVOUAAERHBYIN-CQSZACIVSA-N 452.869 4.518 5 40 JJBB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12798152 KMEBDJXUFCJXPC-RTBURBONSA-N 461.566 4.806 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20567729 PMZFVCYLBMROGR-OPJGWUQDSA-N 479.895 4.763 5 40 JJBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225309979 KFRIFIRXNJFDQW-LJQANCHMSA-N 466.365 4.778 5 40 JJBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408573946 UFIBRFYUJBSUTE-LJQANCHMSA-N 493.383 4.856 5 40 JJBB O=C(Nc1cccc(Cl)c1Cl)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 820405 BRVSVBVLYXYFOL-LJQANCHMSA-N 484.295 4.748 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c(OC)c1 2424666 JHWYLJJLUROZFJ-UHFFFAOYSA-N 457.534 4.655 5 40 JJBB C[C@H](Sc1nnc(CNc2cc(Cl)ccc2Cl)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13423954 ZSFHWVRXVHYZEN-NSHDSACASA-N 481.365 4.762 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 13591520 PMZFVCYLBMROGR-RZTXVSJASA-N 479.895 4.763 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 26463682 FUKZIHRZBGOIES-ZUKXXSLGSA-N 465.292 4.778 5 40 JJBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225519504 SRVCBDYTMLGKRZ-RPBOFIJWSA-N 499.552 4.861 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-] 408538173 YYGGPTBZZBGKGL-ZICOWINBSA-N 498.083 4.986 5 40 JJBB COc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409180099 PDPBXOBCJDXXMP-UHFFFAOYSA-N 450.447 4.858 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3379061 CCCNVHWEJSMRDJ-UHFFFAOYSA-N 498.831 4.611 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8974515 SFVXCAGHOLYAJK-UHFFFAOYSA-N 486.484 4.663 5 40 JJBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)CCCNC(=O)OCc4ccccc4)cc3oc12 9430356 MGQLNJAHUFUQIG-UHFFFAOYSA-N 461.470 4.572 5 40 JJBB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 9616646 RQFNNZZPXCKQBC-UHFFFAOYSA-N 455.496 4.774 5 40 JJBB COc1ccc(C(=O)OCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1[N+](=O)[O-] 13148497 DCDVWTKUDHCBCV-UHFFFAOYSA-N 486.484 4.560 5 40 JJBB Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1 15666031 FYSSSUCFVHONCJ-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 101215041 BQRZUJOAIBJIQW-JRDMEIDASA-N 493.519 4.550 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2cccc(Cl)c2)cc1 409320678 DSYXXQDJFSIBQI-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3273684 UNGCNDMQBGOICR-OAHLLOKOSA-N 466.877 4.513 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 8952072 PEJQYTXOBPSDST-HSZRJFAPSA-N 465.465 4.594 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060438 HDMPPHRSASDTPY-PKTZIBPZSA-N 469.501 4.885 5 40 JJBB COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 12774953 SHTAUYNDPJCHTF-UHFFFAOYSA-N 483.546 4.883 5 40 JJBB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13591456 DBWYWJQPQFFLDU-OAHLLOKOSA-N 493.965 4.857 5 40 JJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21306412 WXZRXBMYUOAUCF-UHFFFAOYSA-N 480.329 4.884 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224368449 LXPRILUAMJGEIV-QHCPKHFHSA-N 487.597 4.833 5 40 JJBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 408573935 FVLJVCJHFFMVET-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409166458 FZMQOPGKBIDHHA-UDWIEESQSA-N 479.876 4.933 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4cccs4)nc2c31 8878017 IZOPRIIMBSKCPN-UHFFFAOYSA-N 469.522 4.601 5 40 JJBB biogenic O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9721011 IQDUOZCTAQLYFC-ZZXKWVIFSA-N 484.818 4.537 5 40 JJBB Cc1csc(Sc2ccc(C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])n1 12862018 DYZTVRZSBGJABC-UHFFFAOYSA-N 482.587 4.677 5 40 JJBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 16609338 ZPQXPDQQZFLUBF-UHFFFAOYSA-N 478.505 4.937 5 40 JJBB CCCCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1nc2ccc(C)cc2s1 23271434 NKBHDTCJJRDCGM-UHFFFAOYSA-N 477.546 4.814 5 40 JJBB COc1c(Cl)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 35086384 DYPVHWNWMRRMGH-UHFFFAOYSA-N 455.850 4.876 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223657815 SMDDJVVVCYBLSA-RXFWQSSRSA-N 491.563 4.831 5 40 JJBB CCOC(=O)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 1245257 ZOWSHTSJVHTDHU-UHFFFAOYSA-N 455.609 4.620 5 40 JJBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1439731 QEGFNQQLUSHDGK-LJQANCHMSA-N 457.273 4.813 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1Cc1ccccc1Cl 2255084 LFLIAVVKRVNXKS-UHFFFAOYSA-N 495.926 4.773 5 40 JJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1 14274391 NYCRKLBZYKMMDC-UHFFFAOYSA-N 497.602 4.844 5 40 JJBB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16291086 COOYFFXAMSSJRZ-UHFFFAOYSA-N 465.472 4.773 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 408564230 UAHFUWCHWJCYEM-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 409143310 LSABRTJKEVUFNS-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1875622 WQDJMDYFUORZPD-FQEVSTJZSA-N 456.882 4.715 5 40 JJBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 3240882 QAFVMOZEDUSEOM-QHCPKHFHSA-N 477.904 4.814 5 40 JJBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 8584254 FYHXJUFSJXOSRJ-UHFFFAOYSA-N 486.556 4.833 5 40 JJBB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)sc32)cc1 9490951 PHDWCWSOJNXITQ-UHFFFAOYSA-N 475.574 4.634 5 40 JJBB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 13134991 RNUKLYCLMDGBCK-ZDUSSCGKSA-N 472.592 4.630 5 40 JJBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225283207 HECFJOPJZUHPAD-IBGZPJMESA-N 466.365 4.778 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685360 PDYWVDGNOIOIMK-RPVQJOFSSA-N 490.343 4.880 5 40 JJBB C[C@H](Oc1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9532875 PDRFKMVXANIGPN-QMMMGPOBSA-N 451.170 4.921 5 40 JJBB Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1CC(F)(F)F 11277953 DVLVRKSBKTXYLI-UHFFFAOYSA-N 470.447 4.561 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc([N+](=O)[O-])ccc21 108850980 NNGCHWCWXIIXCX-VUHPKUFZSA-N 480.590 4.975 5 40 JJBB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1 1854497 QITMVUBPPOGTOR-JCMHNJIXSA-N 488.525 4.713 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 12985392 UZBWDMBHFLFOQF-SANMLTNESA-N 461.518 4.507 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 409337209 RLCOGYIBNQTJEC-IAGOWNOFSA-N 496.570 4.615 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 6194272 ICLINEDROWYJRY-UHFFFAOYSA-N 480.937 4.930 5 40 JJBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] 8832274 SECMQFDDLWAHIF-VOTSOKGWSA-N 456.090 4.780 5 40 JJBB O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851684 KMUSJELYDWZHEY-FCBCXNLDSA-N 489.528 4.553 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408680406 GERCOACNCQBUDN-PSGMQZRDSA-N 488.327 4.656 5 40 JJBB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792258 XUCWJHGHLOKMHH-GOSISDBHSA-N 491.547 4.727 5 40 JJBB biogenic CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N=C(O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC 9015685 QTRGXRJXNDGICW-BKMJKUGQSA-N 478.549 4.708 5 40 JJBB CCCCn1c(CNc2ccc(F)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 9467182 NWTYKVUTFUUKNG-UHFFFAOYSA-N 477.562 4.526 5 40 JJBB O=S(=O)(O)c1cnc2c(ccc3c(-c4ccccc4)c(S(=O)(=O)O)cnc32)c1-c1ccccc1 13509012 ZRRDUOSGBYFNPH-UHFFFAOYSA-N 492.534 4.610 5 40 JJBB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22569825 ZGWHXOGMYRFZOD-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224614466 HWHKZEBRZKKKIU-GOTSBHOMSA-N 457.515 4.663 5 40 JJBB Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cccc1[N+](=O)[O-] 225801040 SGAMUNKPVQVOIM-UHFFFAOYSA-N 489.962 4.782 5 40 JJBB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 408596699 SWXOLLGRKDVBFW-UHFFFAOYSA-N 493.545 4.678 5 40 JJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCOC(C)C)C3=O 1876010 FSFMYTAJHNFBEX-QFIPXVFZSA-N 450.491 4.678 5 40 JJBB Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1NC(=O)c1ccco1 9562550 BVGVJHDRFCNGKE-UHFFFAOYSA-N 491.378 4.563 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@@H]1CN(Cc3ccccc3)CCO1)n2-c1ccccc1 12551151 IOZJSUCWVIRANF-QFIPXVFZSA-N 460.559 4.927 5 40 JJBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 34880012 PRYOKGWUEWKCSC-UHFFFAOYSA-N 469.567 4.773 5 40 JJBB CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 34887919 GXVXYUGKHUNVJE-OAQYLSRUSA-N 480.609 4.826 5 40 JJBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727405 HRVNRADTWYBMKB-ODLFYWEKSA-N 478.442 4.927 5 40 JJBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)c([N+](=O)[O-])c2)C1 109018667 ZLLXECBVIHKPCF-DLBZAZTESA-N 486.594 4.537 5 40 JJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225524517 JOOIUKBIHPQIEB-VWLOTQADSA-N 491.613 4.523 5 40 JJBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1F 409073170 XWLMCMOTNLCQOH-ZDLGFXPLSA-N 486.253 4.849 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Cl)cc1 409159276 VQTPXKIOCNXSSQ-NVNXTCNLSA-N 452.275 4.577 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]21)c1ccccc1 409371138 GKPWHRFHOCUNQQ-IMAQQZIHSA-N 465.303 4.752 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(C)cc2)c1C 4150515 JQFPSCAMIAOWSD-UHFFFAOYSA-N 467.503 4.954 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] 8833365 CVVPWVOCABREFN-UHFFFAOYSA-N 481.921 4.927 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 9638070 RYARFUFHJFHUQW-OAQYLSRUSA-N 487.907 4.829 5 40 JJBB CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2[N+](=O)[O-])c1 13109818 ZVRZZRMRFVGVHA-UHFFFAOYSA-N 454.504 4.809 5 40 JJBB CCOC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1C 13134796 FOAIRZBXUTXBCX-LLVKDONJSA-N 490.563 4.521 5 40 JJBB O=C(COC(=O)c1cccnc1SCC(F)(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14246230 OCHUQQCEHOSJSU-UHFFFAOYSA-N 498.464 4.563 5 40 JJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 32116779 YJNYIRJEXRLWHT-UHFFFAOYSA-N 484.262 4.889 5 40 JJBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225335816 TVGPNINJKMDYFW-LJQANCHMSA-N 466.365 4.778 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)c(C)c1 8994632 GCOCJEDTOZNSAO-XPGKHFPBSA-N 493.519 4.610 5 40 JJBB CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc([N+](=O)[O-])cc1 9391370 WGJHDHJXEGSMNL-HSZRJFAPSA-N 492.528 4.829 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)n1nc(NCc2cccs2)nc1NCc1cccs1 9933352 KSWBMTUIUOFCHF-CMDGGOBGSA-N 466.548 4.887 5 40 JJBB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] 10120215 HNWBMDRTCNMXNP-UHFFFAOYSA-N 479.445 4.690 5 40 JJBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cccc(NS(=O)(=O)c2ccccc2)c1 15882441 CWOWBAIOHAMACS-UHFFFAOYSA-N 486.556 4.833 5 40 JJBB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26297077 PDTDJKOBPLLHHF-JSGCOSHPSA-N 468.398 4.566 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223520162 JUWPGSDDCXMDEH-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225174007 NLKSAQQZYSLBPS-IRXDYDNUSA-N 478.014 4.813 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)cc1 408869501 RWGKOXKDAIOXNS-ODLFYWEKSA-N 467.434 4.669 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1F 408943795 YYISFQLCVJFQMV-YBFXNURJSA-N 467.434 4.669 5 40 JJBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409167927 KISQLMAJSSJYKS-UDWIEESQSA-N 463.471 4.838 5 40 JJBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 863696 UKQHBKDVAOSHCO-UHFFFAOYSA-N 475.530 4.972 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@H]1CN(Cc3ccccc3)CCO1)n2-c1ccccc1 12551154 IOZJSUCWVIRANF-JOCHJYFZSA-N 460.559 4.927 5 40 JJBB O=C1CCc2ccc(OCCCCN3CC[N+]([O-])(c4cccc(Cl)c4Cl)CC3)cc2N1 77271750 FDTVYHFBHZGERN-UHFFFAOYSA-N 464.393 4.858 5 40 JJBB in-vitro CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224114818 IHRBDOYHSKJXGN-QHCPKHFHSA-N 469.607 4.694 5 40 JJBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224932710 KTGUFMAZXRYBCQ-LJQANCHMSA-N 499.633 4.703 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3)nc2N1 956245 MSGQQFXSRSESQT-QFIPXVFZSA-N 452.474 4.781 5 40 JJBB O=C(N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)OCc1ccccc1 3013856 OPOHCSGURMTFQV-CQSZACIVSA-N 477.757 4.504 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 3848869 OJXQADZQTWXDLJ-UHFFFAOYSA-N 468.874 4.967 5 40 JJBB biogenic Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc3c(c2c1)CCCC3 4112121 CDPHNEOFQWFCJA-UHFFFAOYSA-N 491.525 4.959 5 40 JJBB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 4149942 DTPAEORJBDQDBB-UHFFFAOYSA-N 454.460 4.698 5 40 JJBB Cc1nc2ccc(Cc3ccc4c(c3)C(=O)O[C@H](/C=C/c3ccc([N+](=O)[O-])cc3)N4)cc2c(=O)o1 6444301 KWAKVDKPEILIJD-KPZSNFNVSA-N 469.453 4.617 5 40 JJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9062191 UDKJUCBHLMCTBZ-UHFFFAOYSA-N 490.457 4.526 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9159206 PNRAUUFHWKLZIG-NJYVYQBISA-N 484.295 4.953 5 40 JJBB Nc1nc(NCc2ccc(Cl)cc2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 9282077 ZWBVTBPYZALYSS-UHFFFAOYSA-N 452.946 4.692 5 40 JJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 9956887 NPCVHWDBZZCNAI-KDYSTLNUSA-N 489.524 4.719 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060433 HUYZBCQYFQRAAN-GOTSBHOMSA-N 469.501 4.885 5 40 JJBB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br 106722302 HCYOCNYCUDIBGW-YVLHZVERSA-N 463.309 4.993 5 40 JJBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2)cc1 408568269 SWZFHOQVBVDZBF-NLFSJDMNSA-N 469.541 4.629 5 40 JJBB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 1840580 GWBRJORLVNRZJZ-UHFFFAOYSA-N 474.546 4.798 5 40 JJBB COc1cc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120214 NTYQZLXSRWGCFY-UHFFFAOYSA-N 463.446 4.990 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)Oc3ccc4c(c3)oc(=O)c3ccccc34)C2)cc1 11866753 JQGJKFNYCYEWPK-RTBURBONSA-N 491.565 4.697 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13748798 FBYSAYMXYXOGMA-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB COc1ccc(C)cc1-n1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3492360 BMBZVCZJVBICNL-MRXNPFEDSA-N 490.541 4.730 5 40 JJBB O=[N+]([O-])c1cc2c(c(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)OCOC2 3524835 WBTKCXKPFPOXNH-UHFFFAOYSA-N 499.328 4.752 5 40 JJBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)cnc21 8836724 OYYLYVWHOGMGOI-UHFFFAOYSA-N 461.525 4.708 5 40 JJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 9062487 ALVUBGKFIZHMCJ-UHFFFAOYSA-N 490.457 4.526 5 40 JJBB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12 57314118 LPWYKKAEONIXRK-ACCUITESSA-N 472.486 4.981 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683312 LCSUBGVNYBKRAK-ZNZDAUKMSA-N 490.343 4.880 5 40 JJBB CCn1ncc(C2=NO[C@@H](C(=O)Nc3cc(Oc4ccc(Cl)cc4)cc([N+](=O)[O-])c3)C2)c1C 12849262 PDHKFDSGGQZPTL-OAQYLSRUSA-N 469.885 4.697 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)cc2)c1C 13424276 HMNRAIRMRWGGIQ-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)CC1 21595237 MURQEJJPCFSBDQ-UHFFFAOYSA-N 493.608 4.532 5 40 JJBB Cc1c(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862714 BYAVLVGBHJYGCA-UHFFFAOYSA-N 475.611 4.814 5 40 JJBB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225564356 PDGCKZNEVDGUQK-OAQYLSRUSA-N 481.593 4.925 5 40 JJBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)s2)cc1[N+](=O)[O-] 9599934 MUFFWNNGZCUBPG-UHFFFAOYSA-N 497.480 4.757 5 40 JJBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970310 IAADNGBGOUXMII-HSZRJFAPSA-N 455.474 4.881 5 40 JJBB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 408667191 VFEJILOKCBEXLF-JUJAOGAQSA-N 495.318 4.701 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1 408907784 RPRTYHIGDUQXIK-UHFFFAOYSA-N 465.409 4.667 5 40 JJBB CCOC1=C(COc2ccc3c(c2)oc(=O)c2ccccc23)N(C)C(=O)N[C@@H]1c1ccccc1 2116482 QRNCVNRTIYGTDT-XMMPIXPASA-N 456.498 4.969 5 40 JJBB biogenic COc1ccc(CCn2c(-c3ccccc3C)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 2210567 BSHKMFXQNXKXEW-UHFFFAOYSA-N 468.509 4.738 5 40 JJBB C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 8686022 SPCHAWNOSBEXNH-CQSZACIVSA-N 494.504 4.599 5 40 JJBB aggregator O=C1N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 12377268 QYVJEWGFDOXOAK-UHFFFAOYSA-N 452.466 4.887 5 40 JJBB O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14270799 PIKBTDOILXALES-UHFFFAOYSA-N 461.956 4.585 5 40 JJBB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 100928750 DJUVYEUOMOBQDB-HWJGEBQJSA-N 478.504 4.920 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 976278 KGFDJFPUOOYGIZ-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB Cc1cc(I)ccc1NC(=O)[C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-] 1023018 HYYBNQALAIBMHY-INIZCTEOSA-N 483.331 4.618 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1OC 8835936 LSYXRXHPZJRMHU-UHFFFAOYSA-N 455.518 4.806 5 40 JJBB O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1ccccc1F 9391911 MEIRCQDCKQUTFS-UHFFFAOYSA-N 492.532 4.849 5 40 JJBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 9668096 LDUMQDPAACMGTL-UHFFFAOYSA-N 478.505 4.937 5 40 JJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16227033 WOIIJLJYSBGKRV-UHFFFAOYSA-N 490.541 4.969 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223986968 JOZJHZXSZYEJLJ-JWQCQUIFSA-N 498.568 4.916 5 40 JJBB O=[N+]([O-])c1ccc(Cl)c(Nc2nc3nonc3nc2Nc2cc([N+](=O)[O-])ccc2Cl)c1 3146367 UQEWLOPUUMPLAL-UHFFFAOYSA-N 463.197 4.623 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 13786258 RYZYEFDVPIMKHC-DSITVLBTSA-N 465.465 4.799 5 40 JJBB CN(CCCNC(=O)c1ccc2c(c1)nc(S)n1c3ccccc3nc21)Cc1ccccc1 20618195 CCDZHUOUJBLQOG-UHFFFAOYSA-N 455.587 4.576 5 40 JJBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1 95957057 WOQJAGXVEZSCFO-PZJWPPBQSA-N 462.531 4.650 5 40 JJBB Cc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)c([N+](=O)[O-])n1 96503685 GBVFNEAXXORKOW-YMYZJFATSA-N 462.462 4.686 5 40 JJBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 103590960 SUFMMOGATWGVPE-PZJWPPBQSA-N 481.295 4.684 5 40 JJBB COC(=O)[C@]1(OC)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4 584567010 QTYMDECKVKSGSM-NNZIQWQDSA-N 495.535 4.651 5 40 JJBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2245173 XHTRQQHFRNBYTA-UHFFFAOYSA-N 462.897 4.810 5 40 JJBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809395 WCPIYMRUUGXZMH-UHFFFAOYSA-N 453.930 4.731 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 9984134 WOWVAAOFMXANGA-AWEZNQCLSA-N 469.567 4.816 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 13816521 GWWBCAZAJVPJLP-QRXMYIDTSA-N 485.565 4.722 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2c1 22565024 NLJIOAARUYQZFE-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB CCOC(=O)c1sc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)nc1C(F)(F)F 36612172 OPFHAMWPJLFOOF-UHFFFAOYSA-N 457.430 4.836 5 40 JJBB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353308 RUIJVPDUMGSQLE-AWEZNQCLSA-N 474.348 4.599 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224069342 DCHHMHPZQNOFGE-SANMLTNESA-N 473.573 4.612 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 409200731 ITEGTKJOXXYJIY-SAGYFLTASA-N 458.492 4.850 5 40 JJBB COc1cc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c([N+](=O)[O-])cc1OC 3341044 YBOBJXXGVXAUII-HSZRJFAPSA-N 464.474 4.766 5 40 JJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590650 YIXMWOKCGNDJHR-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223632194 QPNYJACYOHSZTH-JOCHJYFZSA-N 487.622 4.559 5 40 JJBB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2618604 UANHXYGTKQQXOV-JTQLQIEISA-N 452.323 4.816 5 40 JJBB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 3319609 WCVHWYGPTUMUEY-RYUDHWBXSA-N 494.953 4.795 5 40 JJBB COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1[N+](=O)[O-] 9095323 MJOARXFTPPTAFX-UHFFFAOYSA-N 450.495 4.937 5 40 JJBB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] 9569282 ZACRMNPDNRWRGJ-UHFFFAOYSA-N 477.951 4.704 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)c(C)c2)cc1 14412310 XALGHELKEWMGTL-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 19212180 NQCMPLSEWVZOSJ-UHFFFAOYSA-N 456.476 4.770 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223397450 FJFDKKXUONOVLI-ZEQRLZLVSA-N 455.543 4.953 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565576 LLYVMWQYYFOCPI-DPQOWFAMSA-N 481.911 4.580 5 40 JJBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 409309962 OOMMFTKMOYSBRK-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 16691957 VRBKDOPZGMJFFT-UHFFFAOYSA-N 492.513 4.694 5 40 JJBB O=c1c2ccc3c(=O)n(CC[C@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@H]1C=CCCC1)c2c34 20494357 XIDBIBBOJQPMLX-PMACEKPBSA-N 482.580 4.558 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2nn3cnnc3s2)c1 20528827 OVVOLDICDGOMOE-PKNBQFBNSA-N 458.459 4.673 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408918277 IIGLHPCOQPGXFW-YQORSWRPSA-N 465.292 4.995 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccncc1 9232783 LCNWQJBWPJIDHL-LPYMAVHISA-N 477.498 4.814 5 40 JJBB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 9885411 LUZRDWIIHRREEH-JOCHJYFZSA-N 471.542 4.955 5 40 JJBB O=[N+]([O-])c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCCC3)n2)cc1 13893119 LLTLSJJQJKIRLE-UHFFFAOYSA-N 480.369 4.776 5 40 JJBB COc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1[N+](=O)[O-] 14278639 KYOOZBVEIJNZOS-ZZXKWVIFSA-N 486.116 4.789 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 102761363 PTRLPRDADMWKPV-XPWALMASSA-N 493.903 4.698 5 40 JJBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 197742325 WYDVOAHSADRPOJ-MTJSOVHGSA-N 493.928 4.606 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408570235 ZXLCVJATWVFLRO-VQFWCGETSA-N 479.536 4.941 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9109204 XRYDYBKKKRWOKG-GEBXHLAXSA-N 491.503 4.968 5 40 JJBB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c([N+](=O)[O-])c1 10211489 TZMFJWMGFWSFGG-UHFFFAOYSA-N 490.541 4.650 5 40 JJBB COc1cc(C)c(CSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1OC 13138121 YDSFTBJXQBARLF-UHFFFAOYSA-N 480.608 4.777 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 100978722 PAKCWQZRQFKPKC-SDHOMARFSA-N 487.512 4.825 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408688648 WKTJXWPFDLALCM-WMZOPIPTSA-N 488.327 4.800 5 40 JJBB O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409332373 DUVKPONTBKLPAG-UHFFFAOYSA-N 459.465 4.538 5 40 JJBB CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 1025737 VCVFJQQMIMNPBY-HNNXBMFYSA-N 463.581 4.522 5 40 JJBB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1OC 1080682 HPDUDAFEWHWENQ-XMMPIXPASA-N 485.500 4.889 5 40 JJBB COc1cc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c([N+](=O)[O-])cc1OC 3341046 YBOBJXXGVXAUII-QHCPKHFHSA-N 464.474 4.766 5 40 JJBB Cc1cc(C)c(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1 8974176 MZWGTVWFVAWHQR-CJFMBICVSA-N 462.506 4.545 5 40 JJBB Cc1ccc(Cn2nc(C)c(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2Cl)cc1 9120200 UVJOVZNYLJTZIT-UHFFFAOYSA-N 467.869 4.517 5 40 JJBB Cc1cc2oc(=O)cc(COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2cc1Cl 9129282 YWWFWNDXYQALFW-UHFFFAOYSA-N 452.644 4.783 5 40 JJBB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc([N+](=O)[O-])c3)c(Br)c12 13375927 HDIBSMIOVYGDMO-UHFFFAOYSA-N 476.235 4.620 5 40 JJBB COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3S2)cc1OC 16959781 NJARLPYKVROXGI-QHCPKHFHSA-N 493.541 4.821 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 21005625 ZRQUDZYUTACZCQ-XMMPIXPASA-N 470.485 4.942 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222947929 QMXALBOSJLMZEI-CQSZACIVSA-N 466.365 4.776 5 40 JJBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O 8861633 ONESCYJDURWNEY-UHFFFAOYSA-N 461.386 4.537 5 40 JJBB CC(=O)Oc1c([C@@H](OC(C)=O)c2ccc3c(c2)OCO3)ccc2c1ccc1c(C)cc(=O)oc12 12444978 YLFUEKYVAOTFKS-DEOSSOPVSA-N 460.438 4.561 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 12621590 XIEKDBPUQPMUKR-UHFFFAOYSA-N 460.368 4.548 5 40 JJBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1Cl 13632896 CBJPULNDNDUJFY-UHFFFAOYSA-N 454.914 4.724 5 40 JJBB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 14277381 YLFVEGSGLHUXGD-UHFFFAOYSA-N 487.000 4.745 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408686601 SDJZJUOIMPZGNJ-QBIMZIAESA-N 490.343 4.880 5 40 JJBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCCCC1 1900463 TVIAZTZYEVPNEV-IGKIAQTJSA-N 486.572 4.874 5 40 JJBB biogenic CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2093355 RXJCBCVXFFUMIL-QHCPKHFHSA-N 475.497 4.955 5 40 JJBB biogenic O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22742227 YUDVXUOHYIKTNG-QHHAFSJGSA-N 484.818 4.537 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225152365 XZEZUUFEPBWCNS-GOSISDBHSA-N 487.597 4.833 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 409214772 YRYQWIBWSUHQAY-CIAFOILYSA-N 493.497 4.847 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1OC 2412790 DGBOGYRYFVADJP-UHFFFAOYSA-N 457.534 4.655 5 40 JJBB O=C1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 9495350 JUKDCPTZLWHCQH-NRFANRHFSA-N 457.820 4.710 5 40 JJBB COc1ccccc1C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12678645 ZBFVGQVHGJDWNM-UHFFFAOYSA-N 468.849 4.549 5 40 JJBB C[C@H](OC(=O)/C=C/c1cc(Br)ccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12791473 CCIWLNANSJOHNL-VKJYCEFSSA-N 462.231 4.864 5 40 JJBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cn1 13786470 OVQWWVROWLHQAC-LJQANCHMSA-N 451.797 4.639 5 40 JJBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)O)o2)c1 408634293 TYJVWWWURYRZCT-NDENLUEZSA-N 494.485 4.671 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409211584 OKIDAWLEQGBAHO-DTQASYIRSA-N 464.883 4.886 5 40 JJBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2092535 RKLSJGONYGJCGE-SZNDQCEHSA-N 455.507 4.800 5 40 JJBB biogenic O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1Cc1ccc(F)cc1 2628203 HIIVGXNMBPAJRP-UHFFFAOYSA-N 479.489 4.651 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC 215252273 IGDOFNMCZJXFBL-CXUHLZMHSA-N 479.308 4.611 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222502939 AYIAWZYFLFNXKM-JPYJTQIMSA-N 487.622 4.559 5 40 JJBB O=C(CCNc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 226762503 DWKQWVPQEGTSQJ-UHFFFAOYSA-N 462.462 4.873 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247295422 CLPBGOJNBGQOBQ-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB CN(C)c1cccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 8687908 GLMSQMAUOJUUFA-OAQYLSRUSA-N 498.333 4.960 5 40 JJBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833359 UVJYIDZNOCEITO-UHFFFAOYSA-N 486.557 4.865 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 9210032 TUNNJXYNEOFWRU-XMMPIXPASA-N 486.480 4.506 5 40 JJBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18067165 OFCILHBPDUWKEH-VJBWXMMDSA-N 477.904 4.862 5 40 JJBB COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C(C)C)c2O)cc1 26786949 PWSLVDKYSRGKIQ-UHFFFAOYSA-N 484.530 4.826 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 35851893 QPGZIVYPMJDZHQ-LUFNOOMBSA-N 485.565 4.722 5 40 JJBB O=[N+]([O-])c1ccc(Oc2csc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 100102666 IWJDHZOEVOQNTB-UHFFFAOYSA-N 465.381 4.719 5 40 JJBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409200864 JURMWKFJEXXOHV-CAOOACKPSA-N 464.883 4.744 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1[N+](=O)[O-] 409377120 DUISUUZYOJBVMK-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 8834878 SUPNQULYGXMGGW-NRFANRHFSA-N 469.925 4.632 5 40 JJBB O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 8974644 GRLANHLPWDMAJR-AUSIDOKSSA-N 468.897 4.663 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224245675 TULSRFHZLYSZBG-QGZVFWFLSA-N 478.014 4.671 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 408603169 DRTVJZVRGXDIAB-FNORWQNLSA-N 481.549 4.924 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686312 RMOBQWIQVZNIEU-FSPWUOQZSA-N 490.343 4.880 5 40 JJBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)S2)cc1 408770704 AZABODVUAQOPPH-LZOLKVDOSA-N 464.341 4.528 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C)c2C)cc1 409323318 NLVOZYDEPGWIIA-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)c1 2245647 OTQSVKFBJKAICB-UHFFFAOYSA-N 489.535 4.817 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1 9510905 PNYRIVWWRCNSJU-RBJSKKJNSA-N 498.539 4.605 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13540330 WYCBNYHPRJBYPC-AALWMKDKSA-N 485.565 4.722 5 40 JJBB O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)c(Cl)c1 16525530 ZMYDTXPRIXZQGC-UHFFFAOYSA-N 459.911 4.928 5 40 JJBB CCOc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1 34968222 SNAUCUPRLCAWMF-UFFVCSGVSA-N 489.440 4.825 5 40 JJBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 408996476 PLALJYIYYAMORE-UHFFFAOYSA-N 496.431 4.920 5 40 JJBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409010358 CIBHVQQPJAHOLN-VRCTWVPOSA-N 479.514 4.586 5 40 JJBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2312056 MOIMRTLCCMELJR-UHFFFAOYSA-N 454.317 4.545 5 40 JJBB CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(Cl)c([N+](=O)[O-])c1 2796690 PGRSARRHTSHJLX-UHFFFAOYSA-N 488.899 4.881 5 40 JJBB O=[N+]([O-])c1ccn(CCc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)n1 13643829 NKGVCRQDVBFYST-UHFFFAOYSA-N 492.471 4.839 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cc1 15178620 FOXMTGJYGDJZDQ-QGZVFWFLSA-N 453.520 4.537 5 40 JJBB Cc1nc(-c2ccc([C@@H](C)Nc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)cs1 24828471 MCSXNUSHGCESHP-OAHLLOKOSA-N 472.592 4.984 5 40 JJBB CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 26780132 NYUBSMQXGONDTH-SBUREZEXSA-N 484.513 4.784 5 40 JJBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 32854083 JFDMLXXHVCGNNY-AFMDSPMNSA-N 489.528 4.928 5 40 JJBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1 95957059 WOQJAGXVEZSCFO-FPOVZHCZSA-N 462.531 4.650 5 40 JJBB O=[N+]([O-])c1cc(Br)c(-c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100099240 XOXMWLIDYSNDBY-UHFFFAOYSA-N 491.992 4.511 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223379892 JHIHXYXWIWMZDA-OAHLLOKOSA-N 466.365 4.778 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409245765 YVMVYQRWWGAFMF-LPYMAVHISA-N 473.485 4.584 5 40 JJBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 1312551 UQPDKUHXKWNTJH-UHFFFAOYSA-N 452.458 4.731 5 40 JJBB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833155 SHGJELVXSHWAEB-UHFFFAOYSA-N 488.013 4.966 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 12488795 ITPZMJQRCVQAMM-UHFFFAOYSA-N 496.570 4.712 5 40 JJBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 12544899 QWWLLCBPVNADBP-UHFFFAOYSA-N 483.546 4.954 5 40 JJBB Cn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21 12785815 NNSJOIJYAXRPFV-UHFFFAOYSA-N 454.530 4.758 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 13804678 PTRLPRDADMWKPV-VJBWXMMDSA-N 493.903 4.698 5 40 JJBB O=[N+]([O-])c1ccc(Oc2nc(Oc3ccc([N+](=O)[O-])cc3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1 100544383 KEUGHHXXDFOAND-UHFFFAOYSA-N 492.360 4.973 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223563659 CLSIITXIHOLXHI-JOCHJYFZSA-N 457.596 4.552 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225285925 BBLOSWSSMOTVSX-HUUCEWRRSA-N 466.365 4.776 5 40 JJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-] 408575265 IKSGMAAHBCSARL-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB O=C(Oc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 3123336 DNBJLLGDKGZKEW-UHFFFAOYSA-N 487.218 4.704 5 40 JJBB Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 9450597 BYWKGOBFMDPYKH-SFHVURJKSA-N 482.246 4.510 5 40 JJBB Cc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)c([N+](=O)[O-])n1 33527750 GBVFNEAXXORKOW-GCOMYBQBSA-N 462.462 4.686 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222907456 ZGPWQMZYWJIUHC-AWEZNQCLSA-N 466.365 4.776 5 40 JJBB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1(c2ccc([N+](=O)[O-])cc2)CC1 225989903 HGOVFMGNVOZKAJ-UHFFFAOYSA-N 497.960 4.670 5 40 JJBB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1C 409012990 JONBTBUCGZMRCE-UHFFFAOYSA-N 456.524 4.509 5 40 JJBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 409171594 AMNOSOMMXIUDII-UHFFFAOYSA-N 498.285 4.925 5 40 JJBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 2628894 IGCRLJUJYJNNFV-UHFFFAOYSA-N 451.435 4.806 5 40 JJBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 12493730 JNTRVSHHIGTPLA-UHFFFAOYSA-N 487.626 4.888 5 40 JJBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 13424588 ZITYACGUAXFDSH-UHFFFAOYSA-N 475.530 4.759 5 40 JJBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 20528455 IOONJYCPJXZHBF-UHFFFAOYSA-N 462.212 4.786 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 35271028 RLMNUQIJQGOVDR-UHFFFAOYSA-N 454.895 4.627 5 40 JJBB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409365484 ZWTRFUDJDICAMK-UHFFFAOYSA-N 477.546 4.978 5 40 JJBB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(C)c2c1 2662595 ABCQFQRGBITHLC-ZDUSSCGKSA-N 481.486 4.966 5 40 JJBB O=C(NC(c1ccccc1)c1ccccc1)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 8935111 DBDBNACEFIBVBF-PTGBLXJZSA-N 467.481 4.865 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 9120445 CDQUYCBCJHPTGA-UHFFFAOYSA-N 453.426 4.547 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc([N+](=O)[O-])ccc21 9124739 BVGAYTYVOWPPAL-UHFFFAOYSA-N 479.474 4.581 5 40 JJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2ncc([N+](=O)[O-])cc2C(=O)O)cc1OC 9349485 PICGSOVXQJVJQO-CSKARUKUSA-N 472.457 4.728 5 40 JJBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 9715699 NJYKGLXRAWUTJJ-UHFFFAOYSA-N 477.951 4.780 5 40 JJBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 16431566 NBGWKPLFOBOXCW-UHFFFAOYSA-N 489.384 4.892 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@H]1COc3ccccc3O1)n2C[C@@H]1COc2ccccc2O1 16525006 VSXVRBNVULAKSU-QZTJIDSGSA-N 491.525 4.717 5 40 JJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O 26786957 LLYAMOSARGGGSP-UHFFFAOYSA-N 454.504 4.817 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1 103140242 YQAIIBRNBTWWED-ZCYQVOJMSA-N 484.512 4.556 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223552563 WVOYAYBDFLCEAE-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 408680206 FXTLYRABAXAEGA-QFIPXVFZSA-N 471.918 4.855 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)cc1C 408920421 HETGFDNWNDCSHB-UHFFFAOYSA-N 485.587 4.884 5 40 JJBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3231135 HDQHVMYXKWNHLH-KRWDZBQOSA-N 465.531 4.604 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(N)c([N+](=O)[O-])c4)cc3)sc2c1 12311388 SZGANQQFROLEJP-UHFFFAOYSA-N 462.487 4.558 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-] 12604720 FSFZWKAKIPYXBG-QFIPXVFZSA-N 479.558 4.551 5 40 JJBB Cc1c(CCOC(=O)C23C[C@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 13400579 OUPFXMHBJIZEQW-KVEMZPMDSA-N 455.600 4.993 5 40 JJBB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26297067 PDTDJKOBPLLHHF-GXTWGEPZSA-N 468.398 4.566 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1sc2cc(Cl)ccc2c1Cl 33437100 UCXMQRLIWKKKKD-UHFFFAOYSA-N 495.413 4.953 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccccc2)C1 253564580 GRIMKADDUJTWRC-AMGIVPHBSA-N 480.609 4.601 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566224 NHLBAOJETZZZMU-WSNNEZGNSA-N 481.911 4.580 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569363 VYXSHYYRQOVGKY-FMNCTDSISA-N 481.911 4.580 5 40 JJBB Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 409151047 GFFPBOHFVGGBKJ-UHFFFAOYSA-N 453.505 4.851 5 40 JJBB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccccc1[N+](=O)[O-] 1944302 KSENSFYUOPPSGX-UHFFFAOYSA-N 456.476 4.526 5 40 JJBB O=C(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)CC1 8838109 VTUVOXFJXXNCIT-UHFFFAOYSA-N 473.920 4.821 5 40 JJBB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O 9579878 DQAJYSMSNMIKMZ-CYBMUJFWSA-N 460.943 4.733 5 40 JJBB CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 14273754 NCUPKCKCOXLXBG-UHFFFAOYSA-N 495.649 4.545 5 40 JJBB COc1cc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c([N+](=O)[O-])cc1OC 20228060 ABRHYJOGLOZYFR-XMMPIXPASA-N 456.458 4.931 5 40 JJBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224543117 SCBALUMRGIJNRM-DNQXCXABSA-N 471.542 4.966 5 40 JJBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408566350 FKLRAMNLSKMZJZ-GOSISDBHSA-N 497.346 4.605 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408686603 SDJZJUOIMPZGNJ-SKDZVZGDSA-N 490.343 4.880 5 40 JJBB CC(C)(C)c1cc(C(F)(F)F)nc(SCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n1 2795086 HVNZEIOWMBFYMG-FNORWQNLSA-N 458.462 4.606 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223870604 QOIPXDWESCUUKX-GOTSBHOMSA-N 457.515 4.663 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 976117 FCXSDGAXAFAVEN-MRXNPFEDSA-N 460.519 4.665 5 40 JJBB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 8922911 FKDQHCQSAQCWRG-HSZRJFAPSA-N 471.296 4.909 5 40 JJBB O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1Cl 9234670 XETQPUDRCLZWKF-VXLYETTFSA-N 494.356 4.975 5 40 JJBB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 408917006 KRJPZMRIVZSHLM-UDWIEESQSA-N 464.455 4.878 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 408919033 RWBRMKJGXCXNHC-NFJKTXFASA-N 489.325 4.806 5 40 JJBB Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409191262 FQSNKSLGUQOACK-ONBHANDSSA-N 454.438 4.867 5 40 JJBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccccc1[N+](=O)[O-] 3770820 PKVPETAZMFJOGJ-UHFFFAOYSA-N 468.878 4.889 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 9491739 QDBJDGDSPOBAGG-NRFANRHFSA-N 484.306 4.920 5 40 JJBB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 9671267 TWDHJNIWZNEVRT-NRFANRHFSA-N 459.531 4.764 5 40 JJBB Cc1ccccc1N1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 16995928 SZIZUGUDGRYZFG-NVQXNPDNSA-N 470.485 4.747 5 40 JJBB COc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 33398112 NVDSEEFBLRXCBE-UHFFFAOYSA-N 469.881 4.664 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C(C)C)cc2)cc1 197792940 KNAHVNTYYIRIGI-UHFFFAOYSA-N 467.547 4.861 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 408571151 NWLHCAKHFIWDBA-XUCOSSOOSA-N 481.911 4.626 5 40 JJBB O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 2682666 LAQSXJDBUJQZHU-CQSZACIVSA-N 467.534 4.896 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)cc2)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 9638065 RYARFUFHJFHUQW-NRFANRHFSA-N 487.907 4.829 5 40 JJBB CN(C)CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3 10068121 PHTQVNNQIZHYIV-UHFFFAOYSA-N 484.559 4.746 5 40 JJBB Cn1ccnc1[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 16263049 DCWZNQIGWYFQRA-LJQANCHMSA-N 481.862 4.708 5 40 JJBB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 20111764 UFZICYSLNXTLDG-RUZDIDTESA-N 459.502 4.907 5 40 JJBB biogenic COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccnc1 22107281 MUCSCNJPXVJPQE-UHFFFAOYSA-N 487.354 4.542 5 40 JJBB O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccco1 33596230 PUSRTORQPGSQAX-UHFFFAOYSA-N 476.470 4.827 5 40 JJBB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39760230 UFZKGWSIDGYBBP-UHFFFAOYSA-N 493.863 4.811 5 40 JJBB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 215705684 QRSCDFGDRCPNNJ-ZHZULCJRSA-N 471.391 4.903 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 408845120 OPTYLWKRBSWKRN-KGENOOAVSA-N 472.453 4.866 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)c([N+](=O)[O-])c3)o2)c(Br)c1 862446 FJRCACRMQQAXLY-UHFFFAOYSA-N 492.355 4.700 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc12 2148519 IVWKIEICWULUGC-IBGZPJMESA-N 487.574 4.815 5 40 JJBB biogenic COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)/C=C/c3ccc([N+](=O)[O-])s3)nc12 12141016 LYOCBPFFIMWJAB-JXMROGBWSA-N 460.581 4.581 5 40 JJBB COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 1413686 PFIVPWZDNNOSNO-LZYBPNLTSA-N 497.312 4.690 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 6445891 REQRYWXVRNCFRH-JXMROGBWSA-N 482.880 4.778 5 40 JJBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 8383271 DJUVYEUOMOBQDB-RRDXFFBTSA-N 478.504 4.920 5 40 JJBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 8831317 POCQZTJBHUEVJR-UHFFFAOYSA-N 472.748 4.763 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289026 SVFRHZYVFMVDOQ-ZEQRLZLVSA-N 469.501 4.885 5 40 JJBB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353263 NPIDMPXIHYXYAF-HNNXBMFYSA-N 487.532 4.607 5 40 JJBB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C 223407997 HSJOSDREIKFGLT-HXUWFJFHSA-N 481.574 4.593 5 40 JJBB CCCc1nc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 408633326 XRZRAFYZGDCXBS-NDENLUEZSA-N 463.519 4.886 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 408918448 KPHHIAUFPCIMJZ-NFJKTXFASA-N 489.325 4.806 5 40 JJBB COc1ccccc1N1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 408987504 BFQODVVEKDDHLK-UHFFFAOYSA-N 468.421 4.922 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289040 YEYIJQJCSRTPRF-RPWUZVMVSA-N 469.501 4.885 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060437 HDMPPHRSASDTPY-GOTSBHOMSA-N 469.501 4.885 5 40 JJBB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCC2 14274111 FRFCCSIYVUMDOW-UHFFFAOYSA-N 485.543 4.709 5 40 JJBB CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16323102 YCKXJTQNOFZUHR-UHFFFAOYSA-N 494.539 4.748 5 40 JJBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 224578211 WNBQHOSZQZPBHW-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 408661241 BOCNDHKWAWZQPD-UHFFFAOYSA-N 468.293 4.501 5 40 JJBB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 408704120 XRZQSPYOCCASNA-UHFFFAOYSA-N 471.560 4.703 5 40 JJBB Cc1c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409179682 UBYYSEBBFUKUAF-UHFFFAOYSA-N 453.363 4.869 5 40 JJBB CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 8893415 QDCQYGGDRDJCOF-UHFFFAOYSA-N 476.514 4.606 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)c(C)c1 9512281 CIZYWVNNPVMZGF-UHFFFAOYSA-N 460.519 4.585 5 40 JJBB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107759143 LIFPQZKUCNFQHS-UHFFFAOYSA-N 463.471 4.734 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 408547952 OYBRRNJVELCENO-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(Br)cc1 409157153 HVBABIYZVBETAM-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409207909 CLHUPRJYKFUUGI-DTQASYIRSA-N 464.883 4.886 5 40 JJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2439215 AKIOLUMSJMRUCG-MRXNPFEDSA-N 471.561 4.834 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6177088 RLVLFODKGQMBCP-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 8901565 KYOUAHGIRIKRDN-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC 9452826 AEFDHDCVJCRGQK-HOFKKMOUSA-N 492.576 4.812 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccc(O)cc2o/c1=N\Nc1ccc(Cl)cc1 19812353 KTLLDSXOGIQYRA-ROMGYVFFSA-N 450.838 4.880 5 40 JJBB CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 60276879 LBOPRVFEYOMGKB-CTNGQTDRSA-N 481.597 4.712 5 40 JJBB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2095790 SFCZJYKEFXBMQA-SFHVURJKSA-N 457.548 4.806 5 40 JJBB biogenic COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 9450019 WLVNYCMBXNHACI-UHFFFAOYSA-N 467.518 4.816 5 40 JJBB COc1ccccc1OCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 19928484 SJAPLFPMZODSTK-UHFFFAOYSA-N 485.305 4.603 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20131543 IRCIIMCPKXAREI-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851683 KMUSJELYDWZHEY-ICLZECGLSA-N 489.528 4.553 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1O 106739132 HWHVHDUNGDEBHS-IUXPMGMMSA-N 479.308 4.698 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1OC 2251064 DBDFRLXXJYVRQK-UHFFFAOYSA-N 483.572 4.978 5 40 JJBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)N(c1cccc(Cl)c1)C(=O)N=C2O 8973836 NADLGOPYIYUZPN-XMSQKQJNSA-N 456.886 4.519 5 40 JJBB COc1ccc2c(=O)c3c(nc(-c4ccc(OC)c(OC)c4)n4c5ccccc5nc34)oc2c1 9002145 OUNFLRQAQNWYAD-UHFFFAOYSA-N 453.454 4.835 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1Cl 9426458 OWSMJIQVVCXNOZ-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14271925 QATVSKRJDLXTMR-UHFFFAOYSA-N 467.350 4.513 5 40 JJBB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26297073 PDTDJKOBPLLHHF-OCCSQVGLSA-N 468.398 4.566 5 40 JJBB O=[N+]([O-])c1ccc(NC(=S)N[C@@H](NSc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 28294117 RHVNYOTZXUFPCX-ZDUSSCGKSA-N 496.785 4.783 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 33747492 UDYJDTABEGMRRM-UHFFFAOYSA-N 470.263 4.639 5 40 JJBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 1311354 HZMBHVYZFPUPKT-UHFFFAOYSA-N 452.458 4.731 5 40 JJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Br 2260011 QYXBYYPMKLDLMT-UHFFFAOYSA-N 493.364 4.616 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1ccccc1 2421913 CDVTWMMVLSKPPF-UHFFFAOYSA-N 475.508 4.623 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2429596 MAVFRKSBWKNXPL-UHFFFAOYSA-N 455.562 4.900 5 40 JJBB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8855058 MVZDVDKOXKQGDM-UHFFFAOYSA-N 461.305 4.827 5 40 JJBB in-vivo O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1 27026147 RGQLIJNQOUHAGK-FQEVSTJZSA-N 499.310 4.898 5 40 JJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2ccccc2o1 39751026 QDWRWQJFNXKAQZ-UHFFFAOYSA-N 469.413 4.896 5 40 JJBB O=S(=O)(O)c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)O 95932618 HZZQDMGIGCTARB-UHFFFAOYSA-N 492.534 4.610 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 102095884 LTMBKDZKGVYUBA-UHFFFAOYSA-N 471.813 4.929 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 409167151 HPEYYPCNNVLNAH-UDWIEESQSA-N 479.470 4.538 5 40 JJBB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 8833166 ZKFOZQHUCZFWIW-UHFFFAOYSA-N 476.986 4.978 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36311734 KMUSJELYDWZHEY-QTZVNIFKSA-N 489.528 4.553 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 230023185 RLNBELBECOHQEU-QTZVNIFKSA-N 489.528 4.553 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 2622217 YHPVGYUVSZJFIS-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB C[C@H](c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1 2730090 DBCNLTWJOZTJIQ-SNVBAGLBSA-N 465.326 4.547 5 40 JJBB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3432929 RSQPCOOVSPPMDD-UHFFFAOYSA-N 478.288 4.678 5 40 JJBB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9127647 ORLZXOBUPLOOLU-AREMUKBSSA-N 494.475 4.535 5 40 JJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 9892169 JMIGHSOOIITKKY-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 12987330 WVHYGBSYDZHZOD-HSZRJFAPSA-N 487.965 4.913 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223657527 LLYMFCZEWJFRFA-QHCPKHFHSA-N 471.623 4.860 5 40 JJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225286032 BBLOSWSSMOTVSX-GJZGRUSLSA-N 466.365 4.776 5 40 JJBB Cc1cc(SCC(=O)c2cc([N+](=O)[O-])cs2)nc(SCC(=O)c2cc([N+](=O)[O-])cs2)n1 12139033 XLTRTNLNHGBNML-UHFFFAOYSA-N 496.573 4.674 5 40 JJBB Cn1ccnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364923 ROLZUDLEXGXHPV-UHFFFAOYSA-N 471.589 4.961 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408668313 VXBXWKHSSQDTCG-LMHXZZLNSA-N 465.292 4.692 5 40 JJBB COc1ccc(Cl)cc1-c1nc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n[nH]1 408675132 SOHABWDDJKDNHC-UHFFFAOYSA-N 483.731 4.779 5 40 JJBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 2655801 AEYXXMRFHGBWTM-UHFFFAOYSA-N 452.883 4.627 5 40 JJBB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 8846217 YYCLPPBIVXIBSY-HXUWFJFHSA-N 492.285 4.917 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 8902017 JHTHTXCJDWIHGU-RMKNXTFCSA-N 496.976 4.924 5 40 JJBB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 13842460 FCPZYWKNNCRZEX-UHFFFAOYSA-N 475.958 4.810 5 40 JJBB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2-c2nc3ccccc3s2)C1 16890378 IKHLAPHXWUVOTC-UHFFFAOYSA-N 468.516 4.683 5 40 JJBB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 20796319 HMMMEKYTDQITPU-OAHLLOKOSA-N 465.922 4.891 5 40 JJBB O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 408750589 PDGOWAHKXGYESI-UHFFFAOYSA-N 491.506 4.996 5 40 JJBB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409237056 VKMSUIFJTMSTBO-CXUHLZMHSA-N 480.702 4.502 5 40 JJBB Cc1cc(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC(C)(C)C2)ccc1[N+](=O)[O-] 8444377 NQBMQEALBCMZJN-FNZWTVRRSA-N 496.564 4.865 5 40 JJBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C/c1nc2ncnn2c(O)c1[N+](=O)[O-] 8723260 HRNBWLWZQMEDFS-HWKANZROSA-N 461.522 4.775 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 20611837 HKPSJCVKAOOZRI-UHFFFAOYSA-N 472.295 4.706 5 40 JJBB COc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(OC)cc3)c2Br)cc1 22741477 AMDKFERXSMKWJL-UHFFFAOYSA-N 484.310 4.607 5 40 JJBB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 36033875 RXNRGZURASBQFP-NOZRDPDXSA-N 479.558 4.692 5 40 JJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2325404 HYOCJQZLDXXHCU-UHFFFAOYSA-N 484.512 4.994 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 12995268 UCKZBUVLIVOHHG-DEOSSOPVSA-N 467.547 4.568 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037239 YIGHDGQXVNRDNI-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB Cc1n[nH]c(-c2ccc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2)n1 62640158 RIAITGLIVHLSOC-UHFFFAOYSA-N 474.443 4.562 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223704345 NVYHXIZPMMDUTP-HSZRJFAPSA-N 471.623 4.860 5 40 JJBB COc1ccc(-c2csc3ncnc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)c23)cc1OC 9562763 NXUVSRILDLZPME-UHFFFAOYSA-N 481.486 4.729 5 40 JJBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13140330 RXNRGZURASBQFP-UKILVPOCSA-N 479.558 4.692 5 40 JJBB O=C(COC(=O)c1cccnc1Sc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13163489 YKRQGCIYSBQTGU-UHFFFAOYSA-N 477.420 4.955 5 40 JJBB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408575627 OHNSPODJSZULIC-ZRZWOPFXSA-N 471.513 4.683 5 40 JJBB O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474693 PMLFLSAKWRGXGO-UHFFFAOYSA-N 478.509 4.658 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9075571 XDGUDTSUVLEHAK-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 10187668 QWYFUDKZMSAZCY-UHFFFAOYSA-N 456.505 4.525 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223832157 KRTTUYZPNVJTKS-QGZVFWFLSA-N 490.025 4.958 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565582 LLYVMWQYYFOCPI-MQVPCNEGSA-N 481.911 4.580 5 40 JJBB O=C(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809301 QEGVUHRJIXUJAF-UHFFFAOYSA-N 471.304 4.644 5 40 JJBB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12424602 YLWLKKXVIKJNQB-UHFFFAOYSA-N 491.598 4.707 5 40 JJBB O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 13813591 JBMAJIRBABAZQR-IKQBDLNTSA-N 495.557 4.614 5 40 JJBB C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 40067614 ZLLXECBVIHKPCF-SJORKVTESA-N 486.594 4.537 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223478520 UETXZHPFEQSRNL-BJKOFHAPSA-N 487.541 4.826 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223676917 INSRRXXXKVYATR-JOCHJYFZSA-N 471.623 4.593 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408685682 PXTILKMHWSTYPL-ZNZDAUKMSA-N 490.343 4.880 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2664102 QAXXMRDSSYHUBC-YBHKSSGVSA-N 468.897 4.634 5 40 JJBB Cc1c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] 2685912 DUDYELDRGCZDMA-QFIPXVFZSA-N 498.308 4.989 5 40 JJBB O=C1CCCc2oc3c(Cl)cc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3c21 8765720 MGWWICZWBNUHGC-UHFFFAOYSA-N 455.275 4.968 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2C)cc1 14412775 IUTASQDRPPKKMG-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)CC1 20153285 KHMUUDLMDBGPQT-UHFFFAOYSA-N 494.573 4.710 5 40 JJBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1439730 QEGFNQQLUSHDGK-IBGZPJMESA-N 457.273 4.813 5 40 JJBB COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1Br 1862693 SVAXQYXWAMFNSG-UHFFFAOYSA-N 493.364 4.616 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 8900217 KFHHOWHAYCTBKS-UHFFFAOYSA-N 492.923 4.843 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(=O)N(c2ccccc2)N=C1C 16607475 YTKVKPSZZLYYEO-NVCFSDIOSA-N 479.496 4.510 5 40 JJBB NC(=O)c1ccc(SCC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 40157328 AZCXTYTUSWAQQH-IBGZPJMESA-N 469.950 4.539 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 230030990 IQEGCBKLGKPGQO-QTZVNIFKSA-N 489.528 4.553 5 40 JJBB Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409367189 JHQFCDPBVMAJEJ-UHFFFAOYSA-N 495.601 4.967 5 40 JJBB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 9358574 RNMNVICFUYUJKU-UHFFFAOYSA-N 451.504 4.878 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 9669459 PZENYPMLRSDYNU-UHFFFAOYSA-N 481.456 4.631 5 40 JJBB Cc1nn(Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)cc2)c(C)c1[N+](=O)[O-] 11005263 NFWPHIDSAQITMY-UHFFFAOYSA-N 456.886 4.523 5 40 JJBB O=C(NC(=S)Nc1ccccc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108056800 NYGICYKUOBLAGB-UHFFFAOYSA-N 493.282 4.586 5 40 JJBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8769361 QVYBYMSCFNGDFE-VWLOTQADSA-N 480.904 4.573 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060409 CURHWWJWBBIZPA-VXKWHMMOSA-N 455.474 4.576 5 40 JJBB COc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 14276089 OIXVWQJEEJUVGG-UHFFFAOYSA-N 498.948 4.944 5 40 JJBB O=C(Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)c1cccc(Cl)c1 14278899 ZATSCQRFUHWCKX-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB O=C(Cn1cnc([N+](=O)[O-])c1)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 40071096 IXOABBPIAFVJOP-MRXNPFEDSA-N 458.305 4.528 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408682112 IVUPDHHWORSRSH-RTBURBONSA-N 488.327 4.800 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2C)cc1 409025724 ZQXHZQMQOAVBJK-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc([N+](=O)[O-])cc1 409180154 UQAYGTLUEIXZAH-UHFFFAOYSA-N 465.418 4.757 5 40 JJBB O=c1c2ccccc2n2c(Sc3ccc(Cl)cc3[N+](=O)[O-])nnc2n1Cc1ccccc1 3440089 HBJFDXPNEHKTJI-UHFFFAOYSA-N 463.906 4.805 5 40 JJBB CC[C@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 5030167 SZODNUUDIAIQDO-JOCHJYFZSA-N 469.494 4.914 5 40 JJBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 8903682 MJESLCGTOAFQBG-UHFFFAOYSA-N 454.508 4.622 5 40 JJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9612511 GQSVYDHXKRRKBI-UHFFFAOYSA-N 458.399 4.862 5 40 JJBB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 14921458 SVHJHLZUOFEKQE-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 16043912 MYJRWZSVBPNLMW-VQHVLOKHSA-N 493.278 4.730 5 40 JJBB O=C1CCc2ccc(OCCCC[N+]3([O-])CC[N+]([O-])(c4cccc(Cl)c4Cl)CC3)cc2N1 38390494 QMMBGUILKWQHOA-UHFFFAOYSA-N 480.392 4.871 5 40 JJBB in-vitro O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 89780794 WCXXQRNMLPSGFV-MCQIBVHSSA-N 475.457 4.761 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408730649 GTESCVPNCPPFFS-XTKIHQQCSA-N 494.503 4.733 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1 409169497 QCAPKGZCQABFKL-CIAFOILYSA-N 493.497 4.847 5 40 JJBB COc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409177913 DQCOAIRCNINNPE-UHFFFAOYSA-N 450.447 4.858 5 40 JJBB Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c3nc4ccccc4nc23)cc1 1877100 INDWJTOCWWPQIU-UHFFFAOYSA-N 486.919 4.956 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] 14275123 GIKSRZMEDSFPHL-UHFFFAOYSA-N 492.513 4.943 5 40 JJBB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15477169 JDOMWHIWYOGURP-NRFANRHFSA-N 494.514 4.766 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36316836 WYCBNYHPRJBYPC-JPYYHWIRSA-N 485.565 4.722 5 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CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408688642 WKTJXWPFDLALCM-AEFFLSMTSA-N 488.327 4.800 5 40 JJBB COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409223899 GOFSQJNHBDCBMX-HYARGMPZSA-N 465.531 4.979 5 40 JJBB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9129197 YHVCVWMCXHYOQB-SFHVURJKSA-N 481.888 4.916 5 40 JJBB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2-c2ccccc2)c1 9469852 KUKQVMPFTHKLJE-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c1 9492900 BBCIWOZKWKTKBU-UHFFFAOYSA-N 468.535 4.978 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 14155712 ORHQLWUJVGECKM-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 15913366 GHUDAOZMVGXYCE-SSEXGKCCSA-N 472.388 4.972 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2 19942053 BGDASQYDJVVWRQ-UHFFFAOYSA-N 471.560 4.705 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224025456 QRMDWHXZYXYIEB-AREMUKBSSA-N 473.573 4.612 5 40 JJBB O=C(COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408666962 IFKIAQMFZYNFLI-UHFFFAOYSA-N 487.818 4.558 5 40 JJBB CC[C@H](C)c1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 820396 AHVXIXALYWIBIE-XDHUDOTRSA-N 471.513 4.954 5 40 JJBB COc1ccc(C)cc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3410782 MZULBSYVSUOAFW-UHFFFAOYSA-N 491.525 4.770 5 40 JJBB CCOC(=O)[C@@H](C)N(c1ccc(-c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 95951493 XBXDMGAPWRDISA-GOSISDBHSA-N 468.531 4.717 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222988108 VEUGUBJFQQRQOD-AWEZNQCLSA-N 466.365 4.776 5 40 JJBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC1CCCC1 223758988 GGHNPONUMJPXEC-IBGZPJMESA-N 469.607 4.613 5 40 JJBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224160604 DRYIFVPEPHJYGM-VWLOTQADSA-N 473.573 4.692 5 40 JJBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 408737701 NYFPALYHDISGDG-AREMUKBSSA-N 485.584 4.903 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F 1157093 YGXIUBSYAFNVTP-ODLFYWEKSA-N 467.434 4.669 5 40 JJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCOC(C)C)C3=O 1880367 ZTQJOJLRIZZMEJ-JOCHJYFZSA-N 450.491 4.678 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 2252159 IFUDLLDOAXJTFN-UHFFFAOYSA-N 461.525 4.708 5 40 JJBB COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4nc5ccc([N+](=O)[O-])cc5s4)nc3c2)cc1 3347589 FDVHTVOVWNQZNY-UHFFFAOYSA-N 497.514 4.899 5 40 JJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 9127619 KKQCBMIHIAMUGL-UHFFFAOYSA-N 489.557 4.501 5 40 JJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12628403 GUCJALKFRNJJDI-UHFFFAOYSA-N 458.902 4.965 5 40 JJBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccc([N+](=O)[O-])cc1 101018423 ZMFXFOLZHYSMPM-NRFANRHFSA-N 456.437 4.634 5 40 JJBB CCCc1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)n[nH]1 408632590 ROIOHWXZSABWLR-DHDCSXOGSA-N 479.312 4.906 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 408881793 MEWSGTJTIFRTEW-JAIQZWGSSA-N 497.460 4.678 5 40 JJBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2C2CCCCCC2)cc(OC)c1OC 2338720 JQNXPLVQLSNIAR-UHFFFAOYSA-N 489.572 4.837 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 6232826 GDCOIAAFAQJRNE-ZKKFKWFVSA-N 489.325 4.928 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 9312561 SZNGISRRWCCVBE-SFHLNBCPSA-N 484.295 4.953 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9358848 JADYODXNLXOBCB-HSZRJFAPSA-N 474.444 4.637 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12527469 WQWFDQIFUYBKLT-UHFFFAOYSA-N 454.526 4.855 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C(=C/c1cccs1)c1cccs1 12624577 CGPMULJGBYALTD-HKJJFUAXSA-N 458.517 4.837 5 40 JJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409094920 GJQBLQSBHYEQIH-IKMPRTQCSA-N 492.509 4.925 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Br)cc1 409168120 KHQRCRXSOGHHDC-NVNXTCNLSA-N 496.726 4.686 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 9286620 VFYBMGMVZNNLCW-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB CCCCOCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 9561713 DJUXHVLBFJGHKY-FQEVSTJZSA-N 464.360 4.834 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc1)C2=O 16266112 MVTSIIDIPDVYMR-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 22278869 DLHUTXSEKAITED-UHFFFAOYSA-N 461.499 4.582 5 40 JJBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1 95957060 WOQJAGXVEZSCFO-CTNGQTDRSA-N 462.531 4.650 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 138752919 GERCOACNCQBUDN-OWDMVUQNSA-N 488.327 4.656 5 40 JJBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225226191 PBQHWHZTJIBKHI-NRFANRHFSA-N 478.014 4.815 5 40 JJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 408571482 CJIXNVBUDPIJHI-DHZHZOJOSA-N 496.976 4.745 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 409381790 JPNREFGETUBHNW-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2092599 UPADPZFEOKPQGK-HSZRJFAPSA-N 479.554 4.553 5 40 JJBB biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 3326399 YYLCMNCLMWKZKM-FQEVSTJZSA-N 470.934 4.914 5 40 JJBB O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 4017478 YIVHSCPFUATCOL-AWEZNQCLSA-N 482.176 4.661 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F 12621067 VOGGHIOGXNFDHB-UHFFFAOYSA-N 478.358 4.687 5 40 JJBB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 40718072 QGULGUJUGQPUPN-UHFFFAOYSA-N 486.016 4.879 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 101163399 RYZYEFDVPIMKHC-GVAUOCQISA-N 465.465 4.799 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@@H]1CCCN12 408569353 VUVACKKCPDPJNG-CLPFNFTISA-N 489.959 4.974 5 40 JJBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 819809 QEMGIUCIRMYOMI-UHFFFAOYSA-N 463.405 4.717 5 40 JJBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 3444183 NDRPXOHVVYLYHI-UHFFFAOYSA-N 480.575 4.775 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1[N+](=O)[O-])[C@]21C(=O)N(c2ccccc2)N=C1C 16607517 VITOVSAHCTYVSZ-KAYWLYCHSA-N 479.496 4.510 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 49899686 CLPBGOJNBGQOBQ-NEWJYFPISA-N 499.910 4.647 5 40 JJBB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 101017436 NQPKDWVKMXHZKV-QFIPXVFZSA-N 468.473 4.503 5 40 JJBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177973 HXXRRHYMHPHGEH-HSZRJFAPSA-N 482.876 4.996 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(C)c1 12492131 MSBHWEIUYYWVJI-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2 15603502 BNTXGWSKRFVWFX-QGZVFWFLSA-N 465.428 4.551 5 40 JJBB Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)c1 22257260 FIDKONNBAOERDU-UHFFFAOYSA-N 450.495 4.612 5 40 JJBB Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 100202412 ZMKRGISZYZZSIV-UHFFFAOYSA-N 489.794 4.718 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 409213210 PCVDHTVVKJDVGO-NDENLUEZSA-N 490.497 4.766 5 40 JJBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 409356355 MRXPUKMVFNHESC-MFOYZWKCSA-N 490.335 4.649 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(Br)cc1)c1ccccc1O2 4108398 GDSKFKAUYKDWCT-UHFFFAOYSA-N 461.293 4.859 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 8922907 FKDQHCQSAQCWRG-QHCPKHFHSA-N 471.296 4.909 5 40 JJBB CCN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 12815788 DOYSHDLQRMVAMS-UHFFFAOYSA-N 487.940 4.839 5 40 JJBB CN(C)Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 62590100 XAEVAJXCJSXDLI-UHFFFAOYSA-N 480.952 4.834 5 40 JJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722437 IFNXYPZQGNPNNW-UNOMPAQXSA-N 450.432 4.530 5 40 JJBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 408573525 TULJCRGFTYRACB-GOSISDBHSA-N 481.347 4.986 5 40 JJBB CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)CSc1nc(O)cc(-c2ccccc2)n1 12588533 NEIGURQWJZTDCO-UHFFFAOYSA-N 476.514 4.768 5 40 JJBB CC1CCN(c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[N+](=O)[O-])CC1 13095995 ZASHCRPUDFUIPW-UHFFFAOYSA-N 476.499 4.812 5 40 JJBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 14291249 HWIKDUOOAZIGTR-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB C[C@H]1CC(=O)c2c(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc(Cl)c21 32825068 IKCZGQAKHKMWJZ-ZDUSSCGKSA-N 464.927 4.905 5 40 JJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224632353 PYPIZPITZQWWBI-HSZRJFAPSA-N 471.623 4.716 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225787337 IRPYIAPLCQDBIL-UHFFFAOYSA-N 489.962 4.782 5 40 JJBB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750675 QEYUMPBFUORZEN-AFHBHXEDSA-N 481.555 4.958 5 40 JJBB COC(=O)C(=Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC 409092080 STWOTGWABJFYDU-UHFFFAOYSA-N 459.760 4.789 5 40 JJBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3Cl)cc2)cc1 409181738 CZPUXMPEMFLDFW-UHFFFAOYSA-N 498.831 4.724 5 40 JJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 8871125 GBYSSXCDSVBPIK-UHFFFAOYSA-N 462.897 4.891 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 9491826 BCRNRKNCKZIUIA-HXUWFJFHSA-N 470.279 4.878 5 40 JJBB Cc1ccc(CCNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)cc1 9860267 KTJQZHLVZKHKQZ-UHFFFAOYSA-N 489.583 4.582 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-])CC2 12810222 YUCYPSNMYGEORC-RUZDIDTESA-N 481.574 4.877 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223870526 QOIPXDWESCUUKX-PKTZIBPZSA-N 457.515 4.663 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)cc1F 408607447 SBUNNKGWGIWCSG-WEVVVXLNSA-N 459.405 4.756 5 40 JJBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409153950 OEIQWTDONPXALC-UDWIEESQSA-N 463.471 4.838 5 40 JJBB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2scc(-c3ccc([N+](=O)[O-])cc3)c2c1=O 937723 JEYCYPZVTWJZNU-GFCCVEGCSA-N 454.895 4.886 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC3CCN(CC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 12508163 FYWKNWMURYBWOK-UHFFFAOYSA-N 460.600 4.545 5 40 JJBB Cc1ccc(-c2cc(NC(=O)COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)n2)cc1 13062615 AXBGXBVLSIJLPW-LFIBNONCSA-N 482.496 4.951 5 40 JJBB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)c1 13076044 AHWNZWYRHDDWCF-UHFFFAOYSA-N 466.548 4.867 5 40 JJBB CCOc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nnnn3C)cc2)cc1 13146058 YKRQQWCUFJSFIB-UHFFFAOYSA-N 492.517 4.713 5 40 JJBB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14030527 ODPWHAGWZVCHHF-UHFFFAOYSA-N 452.330 4.519 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 15171347 JFQZIOBJRDPUNL-UHFFFAOYSA-N 454.595 4.896 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 20528648 CIWSRRLGXJAJAK-KAVGSWPWSA-N 482.540 4.609 5 40 JJBB C[C@@H]1CC(=O)c2c(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc(Cl)c21 32825066 IKCZGQAKHKMWJZ-CYBMUJFWSA-N 464.927 4.905 5 40 JJBB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 57328317 DZBDQZHXPUIYGR-UHFFFAOYSA-N 499.508 4.863 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225251192 KRLYNPRBTBCAIC-CABCVRRESA-N 466.365 4.776 5 40 JJBB CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792156 AGKLRKMJMLUHHF-UHFFFAOYSA-N 491.503 4.786 5 40 JJBB biogenic CC1CCN(S(=O)(=O)c2ccc(N[C@@H](C)c3nc4ccccc4n3C(F)F)c([N+](=O)[O-])c2)CC1 9219766 PXXVTVWVXBKEFH-HNNXBMFYSA-N 493.536 4.933 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 101491469 PPCJZFVOOACGCM-NVIQENEESA-N 490.941 4.546 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)c(C)c1 408588959 XMBZPSKHARWOPO-UHFFFAOYSA-N 481.574 4.658 5 40 JJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)cc1 408993911 YBMMDIBAALWMDW-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB COc1cc(C(=O)OCC(=O)Nc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9126551 CYLODULMKZAHAL-UHFFFAOYSA-N 456.838 4.845 5 40 JJBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 9346092 OGKBOUMFIYXFDH-UHFFFAOYSA-N 461.953 4.595 5 40 JJBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 224578347 WNBQHOSZQZPBHW-DNQXCXABSA-N 471.542 4.966 5 40 JJBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1 409330941 AXIWJPBGFJHPKN-UHFFFAOYSA-N 470.536 4.842 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c1)C2=O 16266138 GDEOIURCUKFKQJ-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223135597 DOBYMTFIJQXVAN-OAQYLSRUSA-N 457.596 4.550 5 40 JJBB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224855830 UDKGAEWDSJFEID-LJQANCHMSA-N 475.611 4.816 5 40 JJBB CC[C@@H](C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260917503 DRWMWNUKSUZXHG-PKTZIBPZSA-N 487.622 4.594 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C 409364218 WBZZQXDALHEVOT-UHFFFAOYSA-N 477.546 4.803 5 40 JJBB O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1 1313152 ULPRFGQITJVBKR-UHFFFAOYSA-N 456.794 4.988 5 40 JJBB COc1ccccc1Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2227170 HZPBFMNILLVGAK-UHFFFAOYSA-N 461.525 4.594 5 40 JJBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc(F)cc1[N+](=O)[O-] 9544313 QXIOUKMVTKCGJM-UHFFFAOYSA-N 451.435 4.806 5 40 JJBB COc1c(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc2ccccc2c1Br 14274841 LWFQLDBMFCYCTI-UHFFFAOYSA-N 478.299 4.785 5 40 JJBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 84098359 PYLZUGAPHYKQSQ-KRGUIMPISA-N 462.550 4.733 5 40 JJBB COC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 106750699 NVPMNNZRVCZVSF-SXGWCWSVSA-N 464.908 4.609 5 40 JJBB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409065302 FUGWVYNVPOWRMF-UHFFFAOYSA-N 494.356 4.731 5 40 JJBB COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)cc12 2234181 VVYACLMLCCTOHD-UHFFFAOYSA-N 464.268 4.794 5 40 JJBB biogenic O=C1/C(=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 3220696 FWNQQOSANRLFDU-WOJGMQOQSA-N 477.860 4.613 5 40 JJBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831076 MPDDBWXTXHPAJA-UHFFFAOYSA-N 461.956 4.585 5 40 JJBB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc([N+](=O)[O-])c3)c3cc(Cl)ccc32)cc1 8922650 JPWTWYZYXZYXKT-XMMPIXPASA-N 450.878 4.564 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16039435 RCLIYRAWEGKYHJ-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 33625647 SMSMRELAWQSERK-UHFFFAOYSA-N 456.241 4.955 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)s2)cc1 39757402 NSDGUIIAGCSTRK-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB CNC(=O)[C@@H](c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1C)Cc1cccc([N+](=O)[O-])c1C 58311402 LNMLYAXIYIKEJB-XMMPIXPASA-N 462.506 4.609 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225062858 GFMCISZGKXXQBU-QHCPKHFHSA-N 497.592 4.547 5 40 JJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccco1 408841278 FEOCFFCHTRLHPZ-LFIBNONCSA-N 483.230 4.514 5 40 JJBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(I)c1O 408990892 OTWILSDRJHTPSV-UHFFFAOYSA-N 497.314 4.941 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 409171931 DXSFEANFVZQAOM-AWNIVKPZSA-N 457.895 4.701 5 40 JJBB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cccnc2)cc1 873221 HZIGZKQYZMZVKG-QGZVFWFLSA-N 474.546 4.974 5 40 JJBB O=C(C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 15913364 GHUDAOZMVGXYCE-PMERELPUSA-N 472.388 4.972 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102710841 PAKCWQZRQFKPKC-DSNGMDLFSA-N 487.512 4.825 5 40 JJBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223379940 JHIHXYXWIWMZDA-HNNXBMFYSA-N 466.365 4.778 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccccc1 6177092 ZNLHMHHKXKHTEB-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c(=O)c2c1C 9010511 MTYFPGJQJGKJAX-UHFFFAOYSA-N 466.544 4.703 5 40 JJBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](C)c3nc4ccccc4n3C(F)F)c([N+](=O)[O-])c2)C1 9219827 PDDDBCWLXUFQFZ-GJZGRUSLSA-N 493.536 4.933 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223610767 BPCBOTCDZSKZCU-QHCPKHFHSA-N 471.623 4.860 5 40 JJBB COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 3499770 TTZMJXZUNPEZAG-UHFFFAOYSA-N 483.860 4.536 5 40 JJBB COc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1 9426402 HWGJXFROYBEYMB-UHFFFAOYSA-N 450.495 4.937 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408918447 KPHHIAUFPCIMJZ-LQDNNDEMSA-N 489.325 4.806 5 40 JJBB COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3sc4ccccc4c(=O)c3c2=O)cc1 2352623 YJNXEIQLVDYMII-UHFFFAOYSA-N 471.494 4.604 5 40 JJBB COc1cccc(NC(=O)c2cc3c4ccccc4n4c(=O)c5c(OC)c(OC)ccc5c(n2)c34)c1 8877764 HZSAIAWBEDXOKP-UHFFFAOYSA-N 479.492 4.870 5 40 JJBB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 10187817 VAFLGBJJIIKBLZ-UHFFFAOYSA-N 451.788 4.729 5 40 JJBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccccc1 409328400 UJWCPSWTCRAUCB-HJWRWDBZSA-N 488.294 4.707 5 40 JJBB Cc1cc([N+](=O)[O-])nn1Cc1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643801 VYEVETMSBIGZRJ-UHFFFAOYSA-N 492.471 4.953 5 40 JJBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14275890 NLPAFIJKPWJFFT-UHFFFAOYSA-N 482.525 4.917 5 40 JJBB O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Br)cc1 111505488 LHMDNGDIBOBHNE-BOPFTXTBSA-N 468.263 4.710 5 40 JJBB O=c1c2cc(Br)ccc2oc2nc(-c3ccccc3F)n(Cc3ccco3)c(=O)c12 2215996 ZLHZKCNCKNVRLO-UHFFFAOYSA-N 467.250 4.713 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833174 AGRXLRFFIYANGF-UHFFFAOYSA-N 495.586 4.636 5 40 JJBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836051 ZAQSUYZITXHEPM-UHFFFAOYSA-N 475.980 4.985 5 40 JJBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 8923537 VXYADGUKNQEIQZ-HSZRJFAPSA-N 471.296 4.909 5 40 JJBB Cc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 9631117 MOCJIIHPIBBYMI-UHFFFAOYSA-N 487.921 4.569 5 40 JJBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 100091607 RDYAAFIMNVFUBF-BKOMJCAWSA-N 493.566 4.817 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225173901 NLKSAQQZYSLBPS-IAGOWNOFSA-N 478.014 4.813 5 40 JJBB COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 9128775 XIANHHRMBLROFT-FQEVSTJZSA-N 465.531 4.732 5 40 JJBB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 9715164 XZHXYSORJWFLEW-UHFFFAOYSA-N 495.992 4.979 5 40 JJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCc2ccccc21 16523723 QGISLVDHSAZLKE-UHFFFAOYSA-N 457.515 4.524 5 40 JJBB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1cc([N+](=O)[O-])ccc1Br 19927363 KCZDPWRAPNBPCR-UHFFFAOYSA-N 453.705 4.771 5 40 JJBB COc1cc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c(C)cc1[N+](=O)[O-] 104599213 MIWYFSOHDNKCEJ-HFCJMSRESA-N 478.545 4.932 5 40 JJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223772836 BTEFPWHNVSHJBB-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c(C)c1 409203923 ZZJIXEJNCZCKMQ-MFOYZWKCSA-N 490.335 4.649 5 40 JJBB COc1ccc(C2=C/C(=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c3ccccc3O2)cc1OC 9171390 HWNZZXYQBIESJS-CLCOLTQESA-N 470.437 4.760 5 40 JJBB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 12619186 MTKVCUUFRGKEKE-INIZCTEOSA-N 454.792 4.534 5 40 JJBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1Br 13372495 IMBMUNYMLCOVRU-UHFFFAOYSA-N 499.730 4.704 5 40 JJBB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 101004434 MIIMRDNPAADAMH-JOCHJYFZSA-N 468.473 4.503 5 40 JJBB Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409181286 APVALZAWADZFKU-NRFANRHFSA-N 465.374 4.501 5 40 JJBB CCCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OCC 1804276 AQXBYPGCGXRYPM-YBEGLDIGSA-N 458.854 4.697 5 40 JJBB O=c1c2ccccc2oc2nc(-c3cccc(Br)c3)n(Cc3ccccc3)c(=O)c12 2440682 WBCVDQGKGUFQGU-UHFFFAOYSA-N 459.299 4.981 5 40 JJBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14576699 YYLYCFMHHXSXJA-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26787005 PMTOTEPYXOXQRI-UHFFFAOYSA-N 460.895 4.656 5 40 JJBB C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26902047 YMYYUJLTBKGAKL-GFCCVEGCSA-N 453.446 4.608 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732334 PMZFVCYLBMROGR-QNIAMRLHSA-N 479.895 4.763 5 40 JJBB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223923048 ZMGQZERBWWSFBU-AWEZNQCLSA-N 484.405 4.688 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684259 NDSTXVWPCQMTRZ-RBUKOAKNSA-N 488.327 4.800 5 40 JJBB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409132836 LEFVKYBHCILCAZ-UHFFFAOYSA-N 476.356 4.500 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2C2CCCCC2)cc1 6157247 UPAAYGZCUPWHSP-UHFFFAOYSA-N 467.551 4.963 5 40 JJBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 9934677 ZFJSYIOYYLOAPA-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OC(C(F)(F)F)C(F)(F)F)n1 12285238 PFNDZQBRAGXRAE-MRVPVSSYSA-N 454.331 4.606 5 40 JJBB CC(C)c1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 107642407 KWORQZSIEULGOK-BJMVGYQFSA-N 472.998 4.608 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408685679 PXTILKMHWSTYPL-UPRAQXHNSA-N 490.343 4.880 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 2256338 GOLGMOGLEVKBIY-UHFFFAOYSA-N 461.525 4.708 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 6157259 HWEBZZMILWUBHD-UHFFFAOYSA-N 461.503 4.582 5 40 JJBB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 13632930 NDVFOZWNKRQNAS-UHFFFAOYSA-N 493.225 4.791 5 40 JJBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 14270408 WBQFDIJGXFDUPG-UHFFFAOYSA-N 451.291 4.793 5 40 JJBB CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408632819 TVYVFPDFNOWUER-UNOMPAQXSA-N 471.491 4.736 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408683231 KWQZUMSJRPAKSL-IAGOWNOFSA-N 476.316 4.634 5 40 JJBB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2Br)c1)c1cccc([N+](=O)[O-])c1 836540 KJASBLBVJYSEFG-UHFFFAOYSA-N 483.274 4.649 5 40 JJBB O=C(O[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3216847 BVZKTSFALXLDMT-OAQYLSRUSA-N 487.346 4.796 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1[N+](=O)[O-] 14275017 CHXAEIDFBPEIGP-UHFFFAOYSA-N 492.513 4.943 5 40 JJBB Cc1c([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cnn1-c1ccc(F)cc1 32801584 JFBVUBOOGOMVMC-KRWDZBQOSA-N 454.505 4.665 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 102760729 DDQWRVUFIHYGNV-DSNGMDLFSA-N 487.512 4.825 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 408923616 YOHGXAYHMOYZSB-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409165440 YGOSASNSBMEECZ-UHFFFAOYSA-N 469.567 4.948 5 40 JJBB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 9569283 NPRCRJKPASDOGO-UHFFFAOYSA-N 477.951 4.704 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2CC(C)C)cc1 13098791 GUVJKGPIYSJVOK-UHFFFAOYSA-N 475.958 4.902 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Nc1nnc(-c2ccccc2)o1 13101054 HFACSZMBPUXPBQ-UHFFFAOYSA-N 476.470 4.592 5 40 JJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 19927713 QRJYQICJCKBOOK-UHFFFAOYSA-N 490.383 4.983 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20503776 JBMAJIRBABAZQR-SODVOOIJSA-N 495.557 4.614 5 40 JJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24799324 VMKRHEHZMIVCJU-UHFFFAOYSA-N 479.295 4.967 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 102760656 VFYBMGMVZNNLCW-HKBOAZHASA-N 484.295 4.953 5 40 JJBB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224833081 STFDORJUWPPNRB-GOSISDBHSA-N 491.610 4.516 5 40 JJBB O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 786796 WSEQGJKPWYLVSG-UHFFFAOYSA-N 478.509 4.658 5 40 JJBB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809536 AUKWZTGDYDNPEU-UHFFFAOYSA-N 489.294 4.783 5 40 JJBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 3355467 SPEWSPGNGVBERY-OAHLLOKOSA-N 466.446 4.588 5 40 JJBB CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062493 NVRZVQSNYVVPPZ-UHFFFAOYSA-N 488.529 4.684 5 40 JJBB CN(C)[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 12565971 PIDSRHNJSNUDBH-GOTSBHOMSA-N 497.393 4.930 5 40 JJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc(Br)s1 12660437 IUEVWLUOXICCAT-QMMMGPOBSA-N 481.246 4.664 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 13811431 FDQDELDTXWZPNF-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB Cc1cccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c1 16975885 NYFPBKFQGJVFRA-NVQXNPDNSA-N 470.485 4.747 5 40 JJBB O=c1[nH]c(/C=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)nc(O)c1[N+](=O)[O-] 17112606 VACKMYIHWDTYBD-SOFGYWHQSA-N 478.686 4.549 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19856106 QPSLQMNBTDBQAZ-UHFFFAOYSA-N 467.547 4.861 5 40 JJBB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2Cl)n1 58009693 XCVKTECIUCIBJL-KXKDPZRNSA-N 467.913 4.913 5 40 JJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408567270 QSEARBKWXWAUDS-USCUKXROSA-N 499.567 4.637 5 40 JJBB O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 409018998 ZWWGAHRDPWOBOS-YDZHTSKRSA-N 470.460 4.830 5 40 JJBB COc1ccc(CCn2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2208769 ZJTFUMURKCNPGK-UHFFFAOYSA-N 473.573 4.556 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 6906609 GJQGDORGFMNLFR-UHFFFAOYSA-N 453.882 4.538 5 40 JJBB Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 8831996 PJMNJWPOFWMXFP-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)n1 9089852 LLDIQRIMKKLWCQ-HXUWFJFHSA-N 492.285 4.917 5 40 JJBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 22706509 PIXMBKCJDVISDJ-NTEUORMPSA-N 470.529 4.518 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225128373 LKMLFWRWPKBDGA-KRWDZBQOSA-N 457.958 4.657 5 40 JJBB Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1NC(=O)c1ccc(Cl)cc1 408602276 CRFKDDAWKSPLNH-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 409182026 HPNCDMOGVYOVDI-UHFFFAOYSA-N 475.478 4.621 5 40 JJBB CCc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 6150878 BYHARZCYYFPGNT-MRXNPFEDSA-N 489.963 4.687 5 40 JJBB COc1ccc(CCn2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 8682609 FSYXWUHCVKLBOM-UHFFFAOYSA-N 470.445 4.714 5 40 JJBB O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCOCC1 8843568 KIPNWELFYJLRIS-JPNWQNGZSA-N 462.654 4.941 5 40 JJBB O=C(COc1ccc(Br)cc1Cl)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 9805344 JWTBFMHYEWYGKL-UHFFFAOYSA-N 479.139 4.556 5 40 JJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 10902875 BGLNZLABDAFWLK-UHFFFAOYSA-N 465.937 4.912 5 40 JJBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14269252 VMCRDAZELVTNHH-UHFFFAOYSA-N 459.483 4.803 5 40 JJBB Cc1c(NC(=O)COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cccc1[N+](=O)[O-] 103208776 BEACCJJNGLURAJ-LDSOLPTJSA-N 465.344 4.509 5 40 JJBB CCOC(=O)c1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2247316 SIKWGQXTJQVBRO-UHFFFAOYSA-N 484.428 4.629 5 40 JJBB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177170 YMWDJERZMSZHHD-HNNXBMFYSA-N 461.503 4.667 5 40 JJBB COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc([N+](=O)[O-])cc2)ccc1O 9171798 DEUGOTZPAJTAGW-IBGZPJMESA-N 456.458 4.636 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 9192664 JZYLXLLECYFFRE-AWNIVKPZSA-N 490.947 4.863 5 40 JJBB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1OCC 9390991 PKUQWMWCPSYFBT-UHFFFAOYSA-N 454.508 4.577 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 9444312 LGPZQSLAVJLCJF-MDWZMJQESA-N 465.531 4.973 5 40 JJBB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9720073 FBLIKGNWXSLRRY-UHFFFAOYSA-N 459.877 4.708 5 40 JJBB CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12 13511065 PCWYTRUYFHIHET-UHFFFAOYSA-N 451.533 4.955 5 40 JJBB O=C(O)[C@H](c1ccccc1)n1c(S[C@@H](C(=O)O)c2ccccc2)nc2ccc([N+](=O)[O-])cc21 16477190 XTPPYDCZVVJLND-VQTJNVASSA-N 463.471 4.537 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223520121 JUWPGSDDCXMDEH-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C 409331116 DTLKHMGCEJWYKF-LUAWRHEFSA-N 494.504 4.506 5 40 JJBB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 8831481 IAFUVNVFFSAVCC-UHFFFAOYSA-N 472.910 4.984 5 40 JJBB COc1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)cc1[N+](=O)[O-] 9097036 XZMYDEFMLDLNGL-UHFFFAOYSA-N 461.430 4.516 5 40 JJBB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc([N+](=O)[O-])cc1Cl 9569455 ZPGXQOHHXZKNIU-UHFFFAOYSA-N 489.912 4.781 5 40 JJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278015 QAOTZBMLQCKPHH-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 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C[C@@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13401491 JQCUDOSBIAGQJK-OAHLLOKOSA-N 463.519 4.575 5 40 JJBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)c([N+](=O)[O-])c1 15913091 RTXBXSIEFIJMHD-UHFFFAOYSA-N 471.539 4.572 5 40 JJBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c(O)c1C 26786991 KWCIMGSZFRCRFU-UHFFFAOYSA-N 460.895 4.656 5 40 JJBB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 34896830 BVUKKBPEJMCRFB-UHFFFAOYSA-N 453.476 4.548 5 40 JJBB O=c1/c(=C\c2ccc(Cl)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 59678128 IUJCDWBMZFPPKN-ZDGAQAAHSA-N 499.979 4.880 5 40 JJBB Cc1cc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(n2cc([N+](=O)[O-])cn2)(C4)C3)nn1Cc1ccccc1F 102654478 LWOTUWMJFOLZPK-JKRLWXMKSA-N 492.555 4.808 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222941592 SGIXRISRAPUCNV-FCHUYYIVSA-N 452.536 4.887 5 40 JJBB CCn1cc([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1 2730823 LYGDHZVXQWPINP-UHFFFAOYSA-N 465.326 4.625 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289035 YEYIJQJCSRTPRF-BJKOFHAPSA-N 469.501 4.885 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1Cl 9509232 HBSYKCISRUCQBY-UHFFFAOYSA-N 481.958 4.510 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1C 9539829 NHTZFXVWJJZJNH-UHFFFAOYSA-N 460.515 4.642 5 40 JJBB Cc1c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 10335643 APBFNHISKPHKGG-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 12602192 BAAGNGOXPQIRGF-UHFFFAOYSA-N 452.467 4.812 5 40 JJBB CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18044654 HVHAQXLUHGXITG-HJOGWXRNSA-N 471.513 4.943 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409348241 OGVJTRILAKMDDL-CHHVJCJISA-N 453.259 4.526 5 40 JJBB Cc1c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 2685909 GYUKMGDEPAIDNE-QFIPXVFZSA-N 480.318 4.850 5 40 JJBB Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1Cl 2713044 UGKBDNRUJVUITL-UHFFFAOYSA-N 457.895 4.892 5 40 JJBB O=C(N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3183897 DHUPQXIIKIUASU-CQSZACIVSA-N 482.176 4.661 5 40 JJBB O=C(CSc1nc(-c2cccnc2)n[nH]1)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 9056922 IODCGYMJJWGRMP-UHFFFAOYSA-N 480.937 4.754 5 40 JJBB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cccs2)ccc1F 17011122 WEJHWEIPFZLLFL-IBGZPJMESA-N 482.942 4.702 5 40 JJBB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62369999 FPBHOOHUHNPSQL-CQSZACIVSA-N 474.348 4.599 5 40 JJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 409322921 YPIUDSLBYUPPEK-ALCCZGGFSA-N 478.686 4.961 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F 409348877 PTHITRKNSNUQDD-ZDLGFXPLSA-N 478.429 4.514 5 40 JJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc32)c1 8741454 JQKNLHPNVUPCSI-UHFFFAOYSA-N 475.508 4.677 5 40 JJBB O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33850607 MWVQJHDFTZWCCX-UHFFFAOYSA-N 493.282 4.586 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 35201092 OOEOISBCHINLQE-VIZOYTHASA-N 455.275 4.852 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409325004 WNWWSXBLDJNQCP-ALCCZGGFSA-N 464.312 4.686 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 409351737 AMGFMNXAZQWSPL-NDENLUEZSA-N 493.497 4.527 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3429446 MQRPTKGDIUTNKA-UHFFFAOYSA-N 475.432 4.810 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 8497976 ZOBDWJWOXOOQBT-FGEXJBCWSA-N 474.900 4.741 5 40 JJBB Cc1ccc(Br)c(NS(=O)(=O)c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1 9492626 RULQZPPSESWPKK-UHFFFAOYSA-N 463.313 4.605 5 40 JJBB CCOc1ccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 13138476 YYJUOEVOOFHJKG-UHFFFAOYSA-N 458.458 4.772 5 40 JJBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1nccs1 44086871 MWDYVSDKMGGZQF-UHFFFAOYSA-N 451.533 4.943 5 40 JJBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc12)c1ccccc1 59417254 UAUUZHBTRAGULV-UHFFFAOYSA-N 457.398 4.758 5 40 JJBB O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102769227 JBMAJIRBABAZQR-LOCCHRAXSA-N 495.557 4.614 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nc2cc([N+](=O)[O-])ccc21 103112861 NNGCHWCWXIIXCX-DODZYUBVSA-N 480.590 4.975 5 40 JJBB Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1[N+](=O)[O-] 409162099 CQKGJZBPKOSXGU-UHFFFAOYSA-N 454.508 4.519 5 40 JJBB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2092480 ZPFDOMWVRJQJKA-LJQANCHMSA-N 455.507 4.862 5 40 JJBB biogenic COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4OC)c(C)nc32)cc1 2231134 AWXQLWAWXMTUFY-UHFFFAOYSA-N 463.497 4.598 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=O)Cn4cnc5ccc([N+](=O)[O-])cc5c4=O)cc3)sc2c1 9588019 IVCNUSGFEBNOGT-UHFFFAOYSA-N 471.498 4.529 5 40 JJBB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)CCCn1nc([N+](=O)[O-])cc1C 9673313 DAEIEJCQTGQIER-UHFFFAOYSA-N 465.341 4.687 5 40 JJBB CC(=O)n1cc([C@@H](C[N+](=O)[O-])S[C@@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21 13764727 DRDRLXGKXSYHFT-PSWAGMNNSA-N 494.529 4.985 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc(CSc4ncn[nH]4)cc3)o2)c([N+](=O)[O-])c1 20611345 NNXCYGMHYYTILZ-UHFFFAOYSA-N 451.464 4.526 5 40 JJBB CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 33671500 AGZLTMUXSWRABS-UHFFFAOYSA-N 466.350 4.735 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 33719454 PIHWZSSHCMEQBB-NEWJYFPISA-N 499.910 4.647 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685356 PDYWVDGNOIOIMK-MZMPZRCHSA-N 490.343 4.880 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408730651 GTESCVPNCPPFFS-ZFILCQGISA-N 494.503 4.733 5 40 JJBB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)s1 1900827 WSAWBPJTBPEGHV-QGZVFWFLSA-N 468.878 4.518 5 40 JJBB CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)CCCC4)cc1 2687545 DOSZTOWVGCNCCK-UHFFFAOYSA-N 461.543 4.612 5 40 JJBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 13712779 GWEHJIKEJYBUST-UHFFFAOYSA-N 469.545 4.960 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1Cc1ccccc1 18010515 QFBRVYRJRGJSGC-VSKRKVRLSA-N 498.322 4.948 5 40 JJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3c(C)cccc3c2=O)cc1OC 101414562 KMSGDBQTPWNSTK-UHFFFAOYSA-N 460.442 4.946 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223557069 GMUUXAPFRAXYGO-ZEQRLZLVSA-N 487.541 4.826 5 40 JJBB O=C(Nc1cccc(Cl)c1Cl)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 820404 BRVSVBVLYXYFOL-IBGZPJMESA-N 484.295 4.748 5 40 JJBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)c1 2401855 UPZVXZCWOBHAIS-UHFFFAOYSA-N 457.534 4.655 5 40 JJBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 21124315 HYQPIXHWTZZZFQ-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 28294050 KRVAICBMMNSVMQ-ZDUSSCGKSA-N 451.788 4.874 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc12 102732560 RKRXFPUFHNLTPZ-GVAUOCQISA-N 465.465 4.799 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102759801 JQULETKQGCNLTD-ACRUOGEOSA-N 499.401 4.545 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408681263 HNBSLZUQZVTZHM-CALCHBBNSA-N 476.316 4.634 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685358 PDYWVDGNOIOIMK-QBIMZIAESA-N 490.343 4.880 5 40 JJBB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409026876 CTXDWJMCGMFYRY-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 409162383 DKBMRHPJUJYEMQ-UHFFFAOYSA-N 468.322 4.616 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409212120 PBIMNPQTZNBJEN-NVNXTCNLSA-N 496.726 4.686 5 40 JJBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1 8691939 JSSGXDIRXUDNIO-XMMPIXPASA-N 455.474 4.619 5 40 JJBB CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n12)CCCC3 8738289 YEQKGEYMKLIHNN-UHFFFAOYSA-N 471.589 4.823 5 40 JJBB O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)O)cc1 12377807 UCKBQAXLKOQACE-KAMYIIQDSA-N 454.442 4.798 5 40 JJBB C[C@@H]1C[C@@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13590353 MJCNBFNMWQPNBC-WAIKUNEKSA-N 460.446 4.646 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2)cc1 14135486 MAVXXVZGRVSCEY-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 3235391 SVEHGLMWDPQJTO-UHFFFAOYSA-N 478.244 4.786 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060411 SHJFILJUMHSTBW-YADHBBJMSA-N 455.474 4.576 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 13401206 GCDZOCORLDPUAB-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 13838991 JVTXRCVFKYRIHJ-XZOQPEGZSA-N 455.474 4.576 5 40 JJBB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Cl 19927298 SIKXDLIXPJYOPU-UHFFFAOYSA-N 453.705 4.771 5 40 JJBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1-c1ccc(CO)o1 20142856 JXRIFLWVCIZFGG-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154379 SZQGEZWBYWKAFK-JXMROGBWSA-N 452.898 4.570 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCC)c(OCC)c2)cc1 408574069 UNPZSVVFDXAMGS-QFIPXVFZSA-N 472.567 4.882 5 40 JJBB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408763207 OICSMJAJFFSOPQ-NDENLUEZSA-N 493.269 4.921 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 877907 IPFIRDHVLBPMGW-QGZVFWFLSA-N 474.546 4.724 5 40 JJBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)Nc1nccs1 2973945 AXQJKRHFZCFUGR-UHFFFAOYSA-N 470.377 4.986 5 40 JJBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 9235010 MFVMWYPGZRIXOW-SRZZPIQSSA-N 492.465 4.781 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] 9601604 UANZTONIXRVRNX-UHFFFAOYSA-N 484.921 4.636 5 40 JJBB CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 14274374 MWEPCPUCGWKIPD-UHFFFAOYSA-N 485.591 4.720 5 40 JJBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)OCc1ccccc1 408738883 WSPOXXFMGVBTEK-OAQYLSRUSA-N 498.333 4.834 5 40 JJBB Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 409221635 UBWSLWPVHBWWHR-ZVHZXABRSA-N 466.497 4.999 5 40 JJBB CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9115154 STTCPBYFBLERRP-UHFFFAOYSA-N 478.166 4.628 5 40 JJBB Cc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)n2N)cc1 9390384 BLCLZBMAEWZZPD-NRFANRHFSA-N 474.546 4.656 5 40 JJBB CC(=O)N[C@@H](CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9540469 PRXKWVQCOCLWFX-LADGPHEKSA-N 495.919 4.739 5 40 JJBB O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(F)cc1[N+](=O)[O-] 9545938 ASKSTZRLVPQRBW-UHFFFAOYSA-N 452.316 4.808 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 14831614 VTZHGLQFMPKPKH-MKMNVTDBSA-N 451.504 4.664 5 40 JJBB O=C(c1ccccn1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 15413860 NFVPIUHZQRUORL-TUGCOKMYSA-N 488.931 4.552 5 40 JJBB CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16610522 AJCIRMQUXVFUJE-MRXNPFEDSA-N 465.472 4.855 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976777 QOULEPZOUKOFOY-SFQUDFHCSA-N 489.509 4.541 5 40 JJBB O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)c1 22567603 YMKGFMCUNQQNQH-UHFFFAOYSA-N 460.238 4.868 5 40 JJBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22567963 UGRSXJUHEOLREC-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB COc1cc(C(=O)Oc2ccc(NC(=O)c3cccc(C)c3)cc2)c([N+](=O)[O-])cc1OC(F)F 25983898 PMVBVEJBNNOWAZ-UHFFFAOYSA-N 472.400 4.985 5 40 JJBB N=c1nc(Sc2ccc([C@@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])ss1 59488708 BHTSEBGOUIPLBW-SFHVURJKSA-N 494.587 4.542 5 40 JJBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 107743146 RIXMXIRYZMQABU-SNAWJCMRSA-N 458.062 4.946 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408735446 QBUNVSRNVNNTOL-FPMFRTRJSA-N 458.901 4.993 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 8827435 VNXRUGGJNUHOAR-MRXNPFEDSA-N 484.287 4.670 5 40 JJBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 9210130 PYWORFCZOUGXNL-LJQANCHMSA-N 451.797 4.639 5 40 JJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 9968833 ANLWJGWSVFQEHZ-UHFFFAOYSA-N 476.514 4.997 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1S(=O)(=O)c1ccccc1 16976884 DJTTVDCAYLNOQA-UHFFFAOYSA-N 497.916 4.794 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 102734697 SZNGISRRWCCVBE-ZVDOUQERSA-N 484.295 4.953 5 40 JJBB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8899052 NRKLBEJEGZCRTK-UHFFFAOYSA-N 474.542 4.638 5 40 JJBB Cc1csc(Sc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2[N+](=O)[O-])n1 9130910 IFWLBSHTKLROCQ-UHFFFAOYSA-N 458.540 4.612 5 40 JJBB COc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc([N+](=O)[O-])ccc4[nH]c3=O)=NN2)cc1OC 9354536 ZBUXYCUWZACLGT-HXUWFJFHSA-N 470.485 4.559 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 12977952 VPROSHREWMGYBR-XMMPIXPASA-N 467.547 4.568 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 21005655 SKMVXDQRUFTVMJ-XMMPIXPASA-N 470.485 4.942 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224033998 UQQLDZHCSZDUIJ-HSZRJFAPSA-N 471.623 4.594 5 40 JJBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 230078392 KMDKBKFJBUMUOR-CPPMQADQSA-N 456.498 4.600 5 40 JJBB Cc1ccc(OCc2nn(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 409153233 MAXYQSLBBRBRHX-UHFFFAOYSA-N 483.531 4.763 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409228125 UKHYNTVKHJRNJU-KGENOOAVSA-N 472.519 4.645 5 40 JJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1Br 6878387 YLOGFAIKAQLCEA-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13148308 UZYDWFDOINAIKE-UHFFFAOYSA-N 462.911 4.531 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 101201869 PTRLPRDADMWKPV-VABKMULXSA-N 493.903 4.698 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224328196 ADBOOAXPBLUHQN-NRFANRHFSA-N 457.958 4.657 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224605253 CYQFMPBZUAWNIM-DEOSSOPVSA-N 483.634 4.737 5 40 JJBB COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)cc1 245241583 JVDKEMULXKCWNZ-ZOBUZTSGSA-N 485.568 4.518 5 40 JJBB O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 1623044378 FMQBEOQVNUUVLE-UHFFFAOYSA-N 457.446 4.986 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc12 9014254 CFLOBRJPPPOLTK-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N2CCCCC2)cc1 13304878 SGYJSGHMWXOHKN-QJOMJCCJSA-N 459.502 4.947 5 40 JJBB C[C@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13401497 JQCUDOSBIAGQJK-HNNXBMFYSA-N 463.519 4.575 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 16479881 AMGAANXZODORGG-UHFFFAOYSA-N 450.926 4.823 5 40 JJBB NC(=O)COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc1 79481192 REOBWCHVEZDNCP-UHFFFAOYSA-N 472.501 4.778 5 40 JJBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223145797 PRRBSHISCXKOGD-KRWDZBQOSA-N 478.014 4.815 5 40 JJBB C[C@@H]1CCc2c(sc3nc([C@@H](C)SCc4cc([N+](=O)[O-])cc5c4OCOC5)[nH]c(=O)c23)C1 9591696 KQHYZVWLHSYAAG-VXGBXAGGSA-N 473.576 4.879 5 40 JJBB Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)cc1 12536541 AJLFMBQGYLCQBO-HNNXBMFYSA-N 461.444 4.855 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(Br)c([N+](=O)[O-])c1 12988559 OSCQGIHKJOYFBI-UHFFFAOYSA-N 455.190 4.814 5 40 JJBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22748098 SHNGMLZHKRTPDT-UHFFFAOYSA-N 489.768 4.518 5 40 JJBB O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 40146820 DXFCCIXVOVCJHD-UHFFFAOYSA-N 481.549 4.647 5 40 JJBB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 57315700 YEQOOGAZGQRKAU-UHFFFAOYSA-N 495.542 4.940 5 40 JJBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224286138 GZKMUHBSTAVIKG-NRFANRHFSA-N 457.958 4.657 5 40 JJBB C[C@@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 8685631 GMMMFKVWWVXRSJ-KRWDZBQOSA-N 492.513 4.792 5 40 JJBB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064642 BASRXVWANSIUTA-UHFFFAOYSA-N 460.559 4.964 5 40 JJBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 9416477 UZNYTBZQWDHYML-UHFFFAOYSA-N 456.483 4.750 5 40 JJBB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2[N+](=O)[O-])cc1 9462455 AXVIKEQTAYLUKG-ZJSPYRCASA-N 484.512 4.557 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 13816529 GWWBCAZAJVPJLP-ZOJNDGCKSA-N 485.565 4.722 5 40 JJBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 15991602 RMAWKXVQGGOBMU-UHFFFAOYSA-N 465.535 4.919 5 40 JJBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc1)=NCC2 34704361 QKBOOSAECJCOSW-UHFFFAOYSA-N 460.490 4.844 5 40 JJBB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224862955 GXTHBLSGGQWUSW-IBGZPJMESA-N 475.611 4.816 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] 408922645 PXGUCINKZKQSBP-UHFFFAOYSA-N 479.436 4.975 5 40 JJBB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 3244197 YZJHXXNJXRTLOC-UHFFFAOYSA-N 482.514 4.912 5 40 JJBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)[C@@H]1C 9111452 QXZNAVZGJJGFMU-SFHVURJKSA-N 484.512 4.552 5 40 JJBB Cc1ccc(C)c2sc(N3CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)nc12 10166330 RWHCHUBIFRUCGK-UHFFFAOYSA-N 452.561 4.998 5 40 JJBB COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 17251543 KOVCHPAPRMGKPW-UHFFFAOYSA-N 485.909 4.744 5 40 JJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223715323 VWAYRGLNIPQXLC-FNZWTVRRSA-N 491.563 4.831 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878543 UWLQQNDIWIQCCE-CYBMUJFWSA-N 460.947 4.591 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc2ccccc12 9478981 XGFJOELKMOGKSN-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] 20528996 YIDVPJRHPYXEAX-UHFFFAOYSA-N 461.386 4.537 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 28383581 DNEZMGUSWIVYJY-UHFFFAOYSA-N 466.906 4.678 5 40 JJBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222553977 DORPNILOBHRYCV-HHHXNRCGSA-N 487.600 4.858 5 40 JJBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223434349 RWAYNISNVFBLRZ-LOSJGSFVSA-N 485.569 4.962 5 40 JJBB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409236698 GIVUIOYFMFTROF-XDHOZWIPSA-N 492.937 4.909 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409353459 LIIISAVIUZKBFI-PXNMLYILSA-N 481.711 4.930 5 40 JJBB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6446864 LSOFYZDFHLQYNE-UHFFFAOYSA-N 499.556 4.568 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 223519949 LZKMVDOCLZUAQZ-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cccc(C)c4)cnc32)cc1 2266254 KOGSNHROVCFVET-UHFFFAOYSA-N 475.508 4.758 5 40 JJBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 8832276 CCMVMOFONKCTRM-FARCUNLSSA-N 456.090 4.780 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 12274608 PQWLOXJMHDGCQY-FQEVSTJZSA-N 452.850 4.963 5 40 JJBB CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2c1C 13139655 FBUMNCDXLHKSJZ-NSHDSACASA-N 490.563 4.521 5 40 JJBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14270418 MYAYNVOOXHDWFN-UHFFFAOYSA-N 451.291 4.793 5 40 JJBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)o1 108141853 MBXQMPHNJWEOAT-VXLYETTFSA-N 468.443 4.779 5 40 JJBB CC[C@@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1 9473204 MZWVNXXWMDBYSM-LJQANCHMSA-N 485.407 4.528 5 40 JJBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225549006 ZUGMSEJAFWWMNQ-VWLOTQADSA-N 491.613 4.523 5 40 JJBB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408669578 WWNLBHGKAFMVFP-UHFFFAOYSA-N 491.500 4.986 5 40 JJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408690156 ZURNMGGTEOAPGF-QFIPXVFZSA-N 471.918 4.855 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409356496 HAIZLODQCGKYSZ-SOFYXZRVSA-N 482.257 4.729 5 40 JJBB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 851205 WEZPMHNGQDBMCR-SNVBAGLBSA-N 469.306 4.983 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1OC 9304807 YHJPQUFHKPXHHG-UHFFFAOYSA-N 485.588 4.909 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15970751 YVWKYIBSZJVZBR-CGYQNGNCSA-N 467.934 4.685 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16384230 HTOYHKSSMGZGDS-QHHAFSJGSA-N 455.820 4.756 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 32124681 RBQSWNHUWOGRCZ-YVLHZVERSA-N 495.376 4.678 5 40 JJBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 32126221 UVSJZKKSPNWNIE-UHFFFAOYSA-N 460.475 4.890 5 40 JJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408564815 FWFHVVXWGGGWBF-DEEGFUGBSA-N 499.567 4.719 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 408908626 WUZLRRRQNGIAOT-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 8862080 CHQFLVFUVXHUML-UHFFFAOYSA-N 452.414 4.539 5 40 JJBB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9313235 AXVIKEQTAYLUKG-CQJMVLFOSA-N 484.512 4.557 5 40 JJBB CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 14411580 PXYLYWXKTBYGBA-UHFFFAOYSA-N 467.547 4.771 5 40 JJBB COc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c([N+](=O)[O-])cc1OC(F)F 22087562 ACEMDJYDSBTYTC-UHFFFAOYSA-N 460.418 4.833 5 40 JJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 39751035 APEDPMRHLLSWKG-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223773157 UMOBUZCVXAJGQZ-DNQXCXABSA-N 471.542 4.966 5 40 JJBB COc1cc(C(=O)O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408635526 DAACEBQTUWFABS-UHFFFAOYSA-N 483.136 4.717 5 40 JJBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409392407 MFPGLJICOCFDSK-CFRMEGHHSA-N 487.537 4.570 5 40 JJBB Cc1sc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n(-c3ccccc3)c(=O)c2c1C 2633400 ARKAMNKGHRTQGI-UHFFFAOYSA-N 484.534 4.842 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 8871977 VBYDJHQEASEJLF-UHFFFAOYSA-N 492.923 4.580 5 40 JJBB COc1ccc(CCNC(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)cc1OC 8877979 RLJHLOFTWVXDLW-UHFFFAOYSA-N 477.520 4.582 5 40 JJBB biogenic CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1C 13134795 FOAIRZBXUTXBCX-NSHDSACASA-N 490.563 4.521 5 40 JJBB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20529028 NNNXIBPOQHXTGP-UHFFFAOYSA-N 456.896 4.881 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 101163401 RYZYEFDVPIMKHC-SDHOMARFSA-N 465.465 4.799 5 40 JJBB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224938932 JILZUZGGWUKMLF-UHFFFAOYSA-N 479.986 4.525 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 408569765 XTOLVERTUVVGGT-YUHKXCSQSA-N 489.959 4.974 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)cc1 409215110 WQJRCQCWXTVNPD-UUASQNMZSA-N 470.265 4.716 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409352224 WTZYJYIJUGTGKE-YVMONPNESA-N 464.312 4.686 5 40 JJBB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 9220984 VEPMFLUVMIEBDX-HXUWFJFHSA-N 450.461 4.843 5 40 JJBB COc1cc(NC(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)c(C)cc1[N+](=O)[O-] 9643952 RJJOAVUZHJMBOH-UHFFFAOYSA-N 460.490 4.788 5 40 JJBB CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 409273499 YOUHNBUASPTOCU-UHFFFAOYSA-N 485.587 4.768 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O)c1cccc([N+](=O)[O-])c1 990365 KVAQTGURRIKCRM-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1OC 8760792 LSVAMAIMALQFDA-UHFFFAOYSA-N 472.570 4.504 5 40 JJBB Cc1noc(/C=C/c2c(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)c1[N+](=O)[O-] 9295514 CTORFXQSTQUNFR-CSKARUKUSA-N 460.446 4.692 5 40 JJBB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9635315 VKUBFTAYRZBKPP-UHFFFAOYSA-N 469.235 4.576 5 40 JJBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnn(-c2ccccc2)c1-n1cccc1 12955791 UPHWYCZDTYOWOO-UHFFFAOYSA-N 457.519 4.659 5 40 JJBB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13147719 AMCIKARHNAFGER-AWEZNQCLSA-N 480.575 4.557 5 40 JJBB O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)NC(=S)N1C1CCCCC1 39556221 MZDJOFJFZSEPKL-HMAPJEAMSA-N 460.559 4.988 5 40 JJBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc([N+](=O)[O-])c1 409178291 GIXXOKILZCWEAQ-UHFFFAOYSA-N 465.418 4.757 5 40 JJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409319646 JPXVDDMQIYKKIJ-CLTKARDFSA-N 478.686 4.961 5 40 JJBB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 8831967 IKNISWWOOLCFEU-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB CCOc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2-c2cccnc2)cc1 9285588 PZWGDPXLWVZBSG-UHFFFAOYSA-N 491.529 4.795 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 13301434 WBPUKBFHWJFTNO-AYIBLLACSA-N 454.482 4.564 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223870308 XDQIFGTVSVDHSN-PKTZIBPZSA-N 457.515 4.663 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225519691 VEGBZWJTCVBRSJ-LOSJGSFVSA-N 499.552 4.861 5 40 JJBB O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccc(F)cc1 875837 WMEYFFDPWNLFRE-UHFFFAOYSA-N 479.493 4.624 5 40 JJBB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746265 YGJLXGZSLPRMFM-HSZRJFAPSA-N 454.442 4.741 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1Cc1ccc(Cl)cc1 8871106 WQHIGIPUHSIBQY-UHFFFAOYSA-N 481.899 4.714 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 8901897 RIXDNCWOLXPWON-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 9075733 HXXMZGFZVHQYJX-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060431 HUYZBCQYFQRAAN-XZOQPEGZSA-N 469.501 4.885 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1SCCOc1ccccc1Cl 13134934 KXUVRFPQWPZZEO-UHFFFAOYSA-N 471.000 4.984 5 40 JJBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 15895831 QWXKLCOXZDLKMH-UHFFFAOYSA-N 490.335 4.719 5 40 JJBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1 408998883 VGGDNQIXOPXSEN-UHFFFAOYSA-N 482.404 4.612 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 409336081 LSEYCOKIXXOYDA-LJQANCHMSA-N 492.583 4.600 5 40 JJBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] 8835476 JDJYZONPRYOKJI-UHFFFAOYSA-N 498.318 4.687 5 40 JJBB O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9509747 OPRCIKUXKAEOJX-UHFFFAOYSA-N 462.472 4.566 5 40 JJBB O=C(Nc1ccccc1OC(F)(F)F)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 215715093 UNUGCEBYGWIWCA-JXAWBTAJSA-N 471.391 4.903 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2C)cc1 409029109 WDPRGPDTUMLJHI-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 2280282 WMODJCVTIVXQHA-UHFFFAOYSA-N 464.913 4.780 5 40 JJBB Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4cccc([N+](=O)[O-])c4)n3n2)n1 2969157 PBCDGRMBSOTVNV-UHFFFAOYSA-N 459.535 4.534 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9209968 AEYOZBLUXCDKCR-DEOSSOPVSA-N 470.481 4.806 5 40 JJBB O=C(COc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 33023459 YLUSQYGDZWABTI-UHFFFAOYSA-N 470.279 4.627 5 40 JJBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565378 KAMVDAGBUQBGQL-KPUKOFIMSA-N 487.556 4.541 5 40 JJBB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750677 QEYUMPBFUORZEN-LHHVKLHASA-N 481.555 4.958 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 409238080 YYXTWOVXKPSXPQ-CIAFOILYSA-N 493.497 4.847 5 40 JJBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 20970306 RLDZSOCNFOQVNV-QHCPKHFHSA-N 455.474 4.881 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3ccccc3I)cc2[N+](=O)[O-])CC1 21595448 APDFLQZADKPMLX-UHFFFAOYSA-N 465.291 4.688 5 40 JJBB O=[N+]([O-])c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(S(=O)(=O)N2CCCC2)c1 40135280 JGWBSHXOZKCESF-UHFFFAOYSA-N 490.969 4.558 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224353866 FXSILPCCDKHYNG-OAHLLOKOSA-N 466.365 4.634 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 408977773 YANZSIVTNNUMHC-MRXNPFEDSA-N 460.607 4.542 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCCCc4ccccc4)nc2c31 8879138 RMQMYHNMZVWYPL-UHFFFAOYSA-N 491.547 4.972 5 40 JJBB biogenic O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)o2)cc1 9284408 GCZSOAAHZYGRLI-GOSISDBHSA-N 482.497 4.514 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 9586937 OAPBQIGKXKNCEW-UHFFFAOYSA-N 461.430 4.516 5 40 JJBB Cc1nc2ccccc2c2c(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c3ccccc3n12 12546814 JZXFNKCISHVOTK-OAQYLSRUSA-N 462.553 4.979 5 40 JJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225136327 MFAPYMLJIIKLDM-IRXDYDNUSA-N 478.014 4.813 5 40 JJBB COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 408596109 POBMTTXRHKYOIA-UHFFFAOYSA-N 476.514 4.738 5 40 JJBB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 12488627 OBUPKXMQBVNSOM-UHFFFAOYSA-N 456.263 4.548 5 40 JJBB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12798159 KMEBDJXUFCJXPC-RBUKOAKNSA-N 461.566 4.806 5 40 JJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 14831652 KZJJQQPMNFBGLX-IAGONARPSA-N 458.430 4.807 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223397355 FJFDKKXUONOVLI-RPWUZVMVSA-N 455.543 4.953 5 40 JJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225463567 YYGDYYDRTYPXPX-AREMUKBSSA-N 491.563 4.833 5 40 JJBB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226767603 CZVDRGNCWSHKHW-UHFFFAOYSA-N 455.220 4.959 5 40 JJBB COc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1[N+](=O)[O-] 257173510 PHEMKIVQGJIYNG-UHFFFAOYSA-N 451.426 4.924 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409241337 RIKYJIFXPGXNEJ-OVCLIPMQSA-N 452.275 4.577 5 40 JJBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl 6166545 HJKZFOOVCDYYMX-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 6442704 DHXGXOXUWZELFT-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB COc1cc(-c2nc3c(c(=O)c(C)nn3-c3ccccc3)c3nc4ccccc4n23)cc(OC)c1OC 9002151 KOAIPFJNJIXGSS-UHFFFAOYSA-N 493.523 4.583 5 40 JJBB COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 9127847 WVUJEWNNTFELFX-QFIPXVFZSA-N 490.545 4.668 5 40 JJBB COc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c(C)cc1[N+](=O)[O-] 9645139 IXIIQXKAVRVGAU-UHFFFAOYSA-N 493.545 4.851 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1 11280968 UWMTVXOEABHFDL-UHFFFAOYSA-N 453.455 4.614 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 17720773 XHJPICMRXHBYBX-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB CCOc1cc(CN(CC)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1OCc1cccs1 57380611 MBRWIFMCZBHUSN-UHFFFAOYSA-N 469.563 4.755 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 103537594 LORZOHOGGFVLCX-ILBGXUMGSA-N 462.465 4.531 5 40 JJBB COc1ccc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408651139 GOUAJSWHWZSZTG-SKGAXEKPSA-N 495.318 4.701 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1 408880420 IWUKFDAZHNWEQT-ODLFYWEKSA-N 467.434 4.669 5 40 JJBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1Cl 409264177 PNZCGVWRPBQKGY-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB COc1cc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 16606883 NDYWVUSBHZIQSS-XMMPIXPASA-N 485.500 4.998 5 40 JJBB Cn1c(=O)n(C)c2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCC3)ccc21 95477585 YFCWQTYIELONAE-UHFFFAOYSA-N 469.501 4.714 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 102708234 ZZGDUMSFNPCPEV-ZVDOUQERSA-N 484.295 4.953 5 40 JJBB COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409133884 QWORTQUFGROREV-FYJGNVAPSA-N 451.504 4.589 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2411556 VAHWEMDMBNLOCV-UHFFFAOYSA-N 461.953 4.731 5 40 JJBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)c1 8871111 HIYWXHJMOGBQNQ-UHFFFAOYSA-N 491.551 4.966 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3ccccc3c2=O)cc1C 10409864 ZOSZLRQODGZGLF-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289025 SVFRHZYVFMVDOQ-BJKOFHAPSA-N 469.501 4.885 5 40 JJBB CCN(C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2ccccc12 12632898 HNRPOTVAZRUPKG-UHFFFAOYSA-N 475.423 4.775 5 40 JJBB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2n1 12651379 RBRRBVMVOWETKK-UHFFFAOYSA-N 462.289 4.814 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 22714367 SYENHCBUMWONDV-UHFFFAOYSA-N 478.486 4.552 5 40 JJBB Cc1c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408921087 CVGVUWOBSIQJRW-HAVVHWLPSA-N 454.486 4.572 5 40 JJBB Cc1c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409098470 QKRHHJQRRZOOEI-WSDLNYQXSA-N 493.541 4.894 5 40 JJBB CC(=O)n1cc([C@@H](C[N+](=O)[O-])S[C@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21 2274808 DRDRLXGKXSYHFT-DNQXCXABSA-N 494.529 4.985 5 40 JJBB CN(C)[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9492186 HNFXULIAWRNTKV-PKTZIBPZSA-N 452.942 4.821 5 40 JJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCCOc1ccc(Br)cc1 12659988 NNXFIZZEQJAZEX-NSHDSACASA-N 477.233 4.799 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1c(Cl)cccc1Cl 106718169 LFMRLZBWCHGQRH-ODLFYWEKSA-N 494.356 4.975 5 40 JJBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC 408565471 CAFGLNYQSAAGHX-QGZVFWFLSA-N 497.346 4.605 5 40 JJBB Cc1nn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2731013 KOYMMJHNMSBALW-UHFFFAOYSA-N 493.380 4.798 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Cl)cc1 216386721 CPLCQIDHSXPCNJ-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408681348 HVPFKICCUDRYQX-UNEWFSDZSA-N 490.343 4.880 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1 9338345 IQHKZNMTLLNKBQ-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 17950166 GJVYHXULAHPFTM-NJYVYQBISA-N 484.295 4.953 5 40 JJBB O=C1C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 24192971 IRPLXDUXCHFVBI-IBGZPJMESA-N 488.880 4.719 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1c1ccc(Cl)cc1 59459836 JOYGDCMELQMDBZ-MLPAPPSSSA-N 455.673 4.957 5 40 JJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 105634648 RSWNIEUOIPDXHI-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4OC)c(C)nc32)cc1 2220239 VHMMNQVMEHCRQF-UHFFFAOYSA-N 491.551 4.852 5 40 JJBB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274711 UEZDCRHYEJUQHL-UHFFFAOYSA-N 488.529 4.525 5 40 JJBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 33661032 JFYYQSBFVZAYQA-UHFFFAOYSA-N 463.313 4.755 5 40 JJBB CCc1ccccc1-n1nnc(C(=O)Nc2nc(C)c(Cc3cccc([N+](=O)[O-])c3)s2)c1C 36640018 QARAVNOJXANMAC-UHFFFAOYSA-N 462.535 4.654 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc([N+](=O)[O-])c1 59557275 YWFDHMWYZHIWET-UHFFFAOYSA-N 450.926 4.823 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225094002 WUNMDSMFOAVVRD-QHCPKHFHSA-N 497.592 4.547 5 40 JJBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccc4ncccc4c3)c3nnnn3C3CCCCC3)CC2)cc1 20098390 UCBNMBXVWIHEHG-AREMUKBSSA-N 498.591 4.546 5 40 JJBB Cc1ccccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccncc1 3304371 XYDZCAUEFKFPQY-UHFFFAOYSA-N 461.503 4.705 5 40 JJBB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 3444399 SOYNTCHWYBENQK-UHFFFAOYSA-N 461.499 4.797 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n1-c1ccccc1 9616755 ZJLPFUBAYRIPHH-UHFFFAOYSA-N 479.493 4.721 5 40 JJBB Cc1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] 9883109 XZQRKPXTVDWAAQ-QGZVFWFLSA-N 487.969 4.725 5 40 JJBB O=C(CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 13856553 YIBPUKWTPDGTAL-UHFFFAOYSA-N 462.458 4.922 5 40 JJBB CC(C)n1ncc2c(-c3cc4cc5c(cc4[nH]c3=O)OCCO5)c3oc4cc(O)ccc4c3nc21 96115378 RXSZQUQQWMTRIL-UHFFFAOYSA-N 468.469 4.897 5 40 JJBB biogenic CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 102761361 PTRLPRDADMWKPV-RJGXRXQPSA-N 493.903 4.698 5 40 JJBB CCOC(=O)[C@H](C)N(c1ccc(-c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 248119764 XBXDMGAPWRDISA-SFHVURJKSA-N 468.531 4.717 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCCC1 408551952 PNXIBWAXVGKTFS-REZTVBANSA-N 496.328 4.820 5 40 JJBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1 408581502 IPDPXEIRVNQTBE-UHFFFAOYSA-N 494.451 4.819 5 40 JJBB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 409342948 CBMRCQGEYFSLSY-SFHVURJKSA-N 459.959 4.796 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 20528668 WBKAEKPKVMGITB-JXMROGBWSA-N 470.957 4.595 5 40 JJBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 21580581 KFBXEUUQZQHXTC-UHFFFAOYSA-N 457.490 4.999 5 40 JJBB CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 26780125 NYUBSMQXGONDTH-UZUQRXQVSA-N 484.513 4.784 5 40 JJBB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1cnc2scc(-c3ccc([N+](=O)[O-])cc3)c2c1=O 937722 JEYCYPZVTWJZNU-LBPRGKRZSA-N 454.895 4.886 5 40 JJBB CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 1905813 YVCDCXUEPGGYPN-YADHBBJMSA-N 495.488 4.655 5 40 JJBB CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1 8781378 KVZNVAGPQNRUND-UHFFFAOYSA-N 480.496 4.850 5 40 JJBB CC(=O)N[C@@H](CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9540467 PRXKWVQCOCLWFX-UPVQGACJSA-N 495.919 4.739 5 40 JJBB O=C(Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 107534185 BPCPBIBUQPPZNI-AATRIKPKSA-N 472.045 4.586 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223512322 DCPUYYXTJLDDLA-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2ccc([N+](=O)[O-])cc2)CO1 1311408 OAZRZJCBVSCBEV-UHFFFAOYSA-N 497.960 4.675 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 2092167 ZDVJERRVLZJEQA-QHCPKHFHSA-N 489.524 4.996 5 40 JJBB biogenic Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2c2cccs2)cc1 9539145 CUSANSFYXUBIDB-NFBKMPQASA-N 494.525 4.669 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060439 LTMYNOCFVHSBAD-XZOQPEGZSA-N 469.501 4.885 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2OC)c1C 13401255 FONQHKQVALKATH-UHFFFAOYSA-N 483.502 4.573 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1 14155637 FSQOSZRJTBIRJF-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 101491467 PPCJZFVOOACGCM-MQXWNXJFSA-N 490.941 4.546 5 40 JJBB O=C(O)/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633881 MRXXNHQBDDVUQA-QPEQYQDCSA-N 497.714 4.719 5 40 JJBB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)O1 409003187 FFMAJPJJRRMJDQ-JAIQZWGSSA-N 478.844 4.821 5 40 JJBB COc1ccc(C(=O)Nc2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)cc1[N+](=O)[O-] 409052594 IRWZTVASIVJVLG-UHFFFAOYSA-N 476.308 4.655 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1[N+](=O)[O-] 12621632 XKEIXIMBFWINBZ-UHFFFAOYSA-N 478.358 4.687 5 40 JJBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14816871 UAZSGRKRQSIMLL-UHFFFAOYSA-N 489.351 4.570 5 40 JJBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 409374409 OTJBPMONODWLDH-BKUYFWCQSA-N 490.541 4.986 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 2094135 HNCXLPCAXVVROM-UHFFFAOYSA-N 455.507 4.945 5 40 JJBB biogenic O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 2720960 STHVXMBITLZWSQ-UHFFFAOYSA-N 471.498 4.506 5 40 JJBB CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OC)c1C 6631555 WWXPVLDESVXJNJ-UHFFFAOYSA-N 497.529 4.963 5 40 JJBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18080552 VGZLNELXZVIVMT-VSKRKVRLSA-N 463.877 4.608 5 40 JJBB CC(C)N(CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O)C(C)C 22203261 RKRJXQLEFHXNRA-UHFFFAOYSA-N 498.605 4.582 5 40 JJBB O=[N+]([O-])c1ccccc1S[C-]1CCC[C@H](Sc2ccccc2[N+](=O)[O-])C1=[N+]1CCOCC1 89821224 BBADTPZHPXGUMD-FQEVSTJZSA-N 473.576 4.956 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102734699 SZNGISRRWCCVBE-SBHAEUEKSA-N 484.295 4.953 5 40 JJBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3nc4ccccc4n3C(F)F)c([N+](=O)[O-])c2)C1 103910947 PDDDBCWLXUFQFZ-HUUCEWRRSA-N 493.536 4.933 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 408626173 ZWVKMKBTOIVGNS-UHFFFAOYSA-N 484.290 4.948 5 40 JJBB Cc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 3223800 IDRSVNNCCQRJDW-UHFFFAOYSA-N 477.904 4.808 5 40 JJBB CSc1nn(-c2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)c(=S)s1 3417448 IOQIDDQTAMJKIZ-UHFFFAOYSA-N 487.544 4.700 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3nc4c(OC)cc([N+](=O)[O-])cc4s3)o2)c([N+](=O)[O-])c1 10010637 HKXCYJSSOHKZFD-UHFFFAOYSA-N 470.419 4.642 5 40 JJBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 32124548 MYUDYMYKZDCQSN-XDHOZWIPSA-N 450.432 4.530 5 40 JJBB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353269 NPIDMPXIHYXYAF-OAHLLOKOSA-N 487.532 4.607 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409008520 ZNVTUPNKXNROAQ-UHFFFAOYSA-N 450.476 4.749 5 40 JJBB Cc1c(C(=O)OCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cccc1[N+](=O)[O-] 3447924 ADEDQVXEELRDJN-NRFANRHFSA-N 488.949 4.823 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 9289001 JVTXRCVFKYRIHJ-DHIUTWEWSA-N 455.474 4.576 5 40 JJBB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9427465 BZHYNGXKBLAPTF-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)cc2[N+](=O)[O-])CC1 12855692 IYCUUOALDJSHNG-UHFFFAOYSA-N 456.506 4.817 5 40 JJBB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39742279 IHJXTVLJCQVSNK-UHFFFAOYSA-N 459.487 4.547 5 40 JJBB Cn1c(=O)c2c(-c3c4ccccc4cc4ccccc34)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 408979780 CVZQJLILRFIAPK-MHZLTWQESA-N 471.516 4.668 5 40 JJBB CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O[C@@H]3C=C(C)C(=O)O3)ccc12 575415270 CHRFZINIRYDHJV-DEOSSOPVSA-N 456.450 4.950 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 812977 PEVPGROGKNZDOY-UHFFFAOYSA-N 475.530 4.506 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 2203414 URDZJRNXCZGNNE-QFIPXVFZSA-N 484.559 4.710 5 40 JJBB COc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2cc1Cl 8835423 GOOWIDXEBFWXEV-UHFFFAOYSA-N 491.982 4.594 5 40 JJBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 9210131 PYWORFCZOUGXNL-IBGZPJMESA-N 451.797 4.639 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2c(F)cccc2F)nc2cc([N+](=O)[O-])ccc21 9335227 BUBDAAKKUGXJNA-UHFFFAOYSA-N 470.457 4.951 5 40 JJBB Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 9601300 IKXUQWBFWVBNJP-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCSc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 20043632 GDJKQINXHZAJTB-UHFFFAOYSA-N 471.560 4.541 5 40 JJBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1 408549030 VVORZQZYEMYDMR-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 409180885 TZZPVRCUIGMUGV-UHFFFAOYSA-N 470.275 4.976 5 40 JJBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409194824 NDIYHIJOAUIDCB-VHXPQNKSSA-N 460.471 4.978 5 40 JJBB Cc1cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1[N+](=O)[O-] 1312492 LRYXTJLVPIKUMM-UHFFFAOYSA-N 452.458 4.649 5 40 JJBB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1Br 14123431 QQDSUVLRLZJUNL-UHFFFAOYSA-N 464.297 4.750 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccccc2)N=C1C 16607497 LMWYGKCULRTENX-SVBPBHIXSA-N 479.496 4.510 5 40 JJBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1cccc(Cl)c1 39757704 SYYUABIKAHTEFH-UHFFFAOYSA-N 463.837 4.803 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 102732557 RKRXFPUFHNLTPZ-SDHSZQHLSA-N 465.465 4.799 5 40 JJBB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)c1 222717436 ZMKGKCQENAWJOD-UHFFFAOYSA-N 467.547 4.739 5 40 JJBB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223330394 WKIMARBLYHSELR-IBGZPJMESA-N 484.405 4.688 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223676848 INSRRXXXKVYATR-QFIPXVFZSA-N 471.623 4.593 5 40 JJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224828463 UCCZCTBEDULJFJ-UHFFFAOYSA-N 497.573 4.683 5 40 JJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1 408940718 VKGYZDLGCOAJQS-MTJSOVHGSA-N 493.497 4.847 5 40 JJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409177652 BMZZUMWTYNBJOB-HXUWFJFHSA-N 485.792 4.846 5 40 JJBB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746264 YGJLXGZSLPRMFM-QHCPKHFHSA-N 454.442 4.741 5 40 JJBB Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442592 UYWNPWHGIKVNMS-UHFFFAOYSA-N 474.546 4.827 5 40 JJBB O=C(NCc1nnc(SCc2ccccc2[N+](=O)[O-])n1-c1ccccc1)c1ccccc1F 9265123 AIUYPOGSEUBXOA-UHFFFAOYSA-N 463.494 4.537 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 12976145 JZQIIDMKYPJYRT-RUZDIDTESA-N 481.936 4.852 5 40 JJBB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C 14405539 MQNZFWAVTBUHBK-UHFFFAOYSA-N 480.481 4.621 5 40 JJBB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)CC1 225564234 UCSGORPNLSLVJM-UHFFFAOYSA-N 481.593 4.783 5 40 JJBB CC[C@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260917501 DRWMWNUKSUZXHG-GOTSBHOMSA-N 487.622 4.594 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408679164 VFEMYHVPSNATDZ-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1-c1ccc(Br)cc1)CCS2 2720046 PHIXQRDPPMRBAU-UHFFFAOYSA-N 476.377 4.844 5 40 JJBB COC(=O)c1cc(C)cc(N(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1C 4946590 VPRZNQHKGKZQDO-UHFFFAOYSA-N 454.504 4.834 5 40 JJBB Cc1nc2cc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ccc2n1-c1ccccc1 9962783 DUJFRZUOACICKY-UHFFFAOYSA-N 455.430 4.649 5 40 JJBB Nc1ccc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 12653622 CFXZVGIRFJZKMT-RUZDIDTESA-N 494.507 4.865 5 40 JJBB COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)cc1Cl 33416353 XUXZXXUHSPYSKE-UHFFFAOYSA-N 461.883 4.652 5 40 JJBB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccco5)c4[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1 36357945 IKBVOIXQMOKOFK-RUZDIDTESA-N 483.484 4.856 5 40 JJBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 102993064 RDYAAFIMNVFUBF-SPDQCEQOSA-N 493.566 4.817 5 40 JJBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222756299 ZCAZFSHQZVMAPT-IBGZPJMESA-N 466.365 4.776 5 40 JJBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408662349 XXHOLQWAEHFDMO-IBGZPJMESA-N 491.887 4.563 5 40 JJBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4cc(C)ccc4OC)NC3=O)o2)c([N+](=O)[O-])c1 408811401 QXYGIEVAYKHSLZ-UHFFFAOYSA-N 466.495 4.943 5 40 JJBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)Nc1cccc2ccccc12 2344210 HWRDTZSCLGKXGR-UHFFFAOYSA-N 485.598 4.750 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C(=O)Nc2ccc(C)cc2)c1C 2763890 SKWBWUCTYMCUCL-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8831843 OMPBXRSTKFXGLN-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316791 IPODPZDZLYLHRR-UHFFFAOYSA-N 468.391 4.932 5 40 JJBB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)c2ccccc12 10903099 QYASXQRUPWPUEJ-QGZVFWFLSA-N 495.963 4.921 5 40 JJBB Cc1cccn2c(=O)cc(COC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)nc12 32864890 VBYGCDVWZXLJGF-UHFFFAOYSA-N 465.849 4.714 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 105346343 QPGZIVYPMJDZHQ-ANNHOSHMSA-N 485.565 4.722 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 224026310 YJBXQHFWLBWZNV-RPWUZVMVSA-N 485.525 4.686 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225251150 KRLYNPRBTBCAIC-LSDHHAIUSA-N 466.365 4.776 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408684549 NSWBMKOMGWQMOS-AEFFLSMTSA-N 488.327 4.800 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 8835674 NGINDOWSNCYTNM-UHFFFAOYSA-N 490.497 4.729 5 40 JJBB CCOc1ccccc1Nc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 9221248 JNGIZBPRHWDNQP-UHFFFAOYSA-N 456.509 4.931 5 40 JJBB COc1cc(C(=O)OCC(=O)Nc2cccc(F)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13015252 DKGWAQKVRHGYQX-UHFFFAOYSA-N 474.828 4.984 5 40 JJBB Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1S(=O)(=O)N1CCCCC1 25395557 DISINQOWXNZWQP-UHFFFAOYSA-N 491.565 4.786 5 40 JJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222557086 NPZWKWXUBNGGFC-NRFANRHFSA-N 478.014 4.813 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225495038 PZRJMERRXBVPGR-AUSIDOKSSA-N 471.623 4.859 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409168248 LWUVODQSHHITTR-UHFFFAOYSA-N 454.508 4.519 5 40 JJBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2309162 SFBQVBBCJOMXHW-UHFFFAOYSA-N 468.344 4.799 5 40 JJBB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878546 VHJPFHHVRBIXIN-CYBMUJFWSA-N 461.931 4.558 5 40 JJBB COc1ccc(CN(C)c2ccc(-c3nc(-c4ccc(OC)c(OC)c4)no3)cc2[N+](=O)[O-])cc1 8586983 BDJOVZVFLVXINM-UHFFFAOYSA-N 476.489 4.974 5 40 JJBB aggregator COc1ccc(Oc2ccc(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)cc2[N+](=O)[O-])cc1 9662075 XXKIKYSTYUREQQ-FOWTUZBSSA-N 485.452 4.748 5 40 JJBB O=C(CSc1nc(-c2ccccc2)nn1C(=O)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 12377024 JKYPSAISDBBFQS-UHFFFAOYSA-N 465.535 4.805 5 40 JJBB Cc1cc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(C)c1Cl 16269397 RTAANXUAKVCKEP-UHFFFAOYSA-N 471.863 4.611 5 40 JJBB CCCOc1c(I)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 408544461 TZYBUEGJNVIHCG-VOTSOKGWSA-N 458.252 4.854 5 40 JJBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2685935 MBHHTOJLMGYQCY-OAQYLSRUSA-N 457.820 4.710 5 40 JJBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)cnc32)cc1 8836778 JUJPKKLDZOHKPX-UHFFFAOYSA-N 499.571 4.667 5 40 JJBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8921189 URHOEBUHGCWJRP-LJQANCHMSA-N 468.491 4.860 5 40 JJBB Cc1c(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 19856813 FFODSCYVFFOECM-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26902050 YMYYUJLTBKGAKL-LBPRGKRZSA-N 453.446 4.608 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44849021 RGTMFIOLLOYYJR-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC 408574417 UTIOQOPMWSWQCO-GOSISDBHSA-N 493.383 4.774 5 40 JJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)cc2)c1[N+](=O)[O-] 408603234 FGKYLTZOMATFBP-RUDMXATFSA-N 498.923 4.569 5 40 JJBB CCOC(=O)C1CCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 409336634 UEZOOIDFIGASMO-UHFFFAOYSA-N 480.528 4.686 5 40 JJBB COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])cc(C(=O)O)cc3[N+](=O)[O-])n2-c2ccccc2)cc1 3095333 VTYJOPUDHPZHNM-UHFFFAOYSA-N 493.457 4.609 5 40 JJBB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 9064939 WNGJMTMRWDAVFJ-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB CC(C)Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(Cl)cc2c1=O 9126507 GKJBKXRBVRPEQS-UHFFFAOYSA-N 471.926 4.956 5 40 JJBB CC(C)Cn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 13134992 RNUKLYCLMDGBCK-CYBMUJFWSA-N 472.592 4.630 5 40 JJBB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1C(F)(F)F 32818978 XLPQQSWPRSAUTM-UHFFFAOYSA-N 482.802 4.882 5 40 JJBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224160553 DRYIFVPEPHJYGM-RUZDIDTESA-N 473.573 4.692 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1C 1144553 OATJHESANWDGLM-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Nc1cccc2nsnc12 3433396 ICSSGGZJRGVFJD-UHFFFAOYSA-N 466.500 4.546 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccccc2[N+](=O)[O-])S1 9076512 BVECPVKRONHYTF-JOCHJYFZSA-N 484.559 4.710 5 40 JJBB COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])cc1OC 10235431 XNDOVPUZUMDNJO-UHFFFAOYSA-N 461.927 4.895 5 40 JJBB CC(=O)Nc1cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] 12743395 IHMMHZZCNXBWQS-UHFFFAOYSA-N 484.478 4.882 5 40 JJBB O=C(Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3)Nc1ccc([N+](=O)[O-])cc1 19996490 WMRRYZJPXZEDCX-UHFFFAOYSA-N 460.515 4.551 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 102756426 RYZYEFDVPIMKHC-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC1CCCC1 223759052 GGHNPONUMJPXEC-LJQANCHMSA-N 469.607 4.613 5 40 JJBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2Cl)cc1 408646578 PVDSQSBPTCOZIT-UHFFFAOYSA-N 497.891 4.941 5 40 JJBB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974702 BZDMUROAICXDDP-UHFFFAOYSA-N 486.535 4.968 5 40 JJBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 15913578 ATXGONRDNPKXOE-SANMLTNESA-N 474.513 4.829 5 40 JJBB Cc1ccc2nc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c1 22564984 AGUMIBFDSZCJBD-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317312 REGBOJWMHCEQBY-DUXPYHPUSA-N 478.229 4.820 5 40 JJBB CCOc1cc(CO)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409115148 ISCDPUVJXWAJSR-UHFFFAOYSA-N 483.180 4.902 5 40 JJBB CCOc1ccc(NC(=O)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)OC)c2C)cc1 6601203 RWZAMIPFCGLFCL-UHFFFAOYSA-N 483.502 4.655 5 40 JJBB COc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12517402 HEULVIWUKAKQCC-AWEZNQCLSA-N 451.445 4.716 5 40 JJBB O=C(Nc1cccc(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 13305431 MEHXHSNQXUCGRG-MOSHPQCFSA-N 466.291 4.767 5 40 JJBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 14273779 PZKJHDSZUSQPOA-UHFFFAOYSA-N 480.977 4.752 5 40 JJBB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 36445138 RZFJIJXGLXBDBJ-UHFFFAOYSA-N 491.525 4.527 5 40 JJBB O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408949303 ARQGGIPXDGEIAO-SDQBBNPISA-N 488.113 4.949 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409213107 SIGYTWMVATXQRG-LICLKQGHSA-N 464.883 4.888 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409343899 FVNXYASWFIYMTI-UDWIEESQSA-N 479.470 4.538 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 6280091 XDFOPRCCJYZRIW-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 9062472 MIIGGMHGFKRQLI-UHFFFAOYSA-N 488.529 4.684 5 40 JJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)c(C)c1 14278549 RIIVKNCNQJVHIR-UHFFFAOYSA-N 488.548 4.809 5 40 JJBB COc1ccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1 19929318 ADUJYUIWKJWXNI-UHFFFAOYSA-N 485.305 4.603 5 40 JJBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)cc1Cl 20153200 HBYWNDGTCGETOX-UHFFFAOYSA-N 497.360 4.717 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc2c(c1)OCO2 25386840 CICSWHAYYVXSFQ-HXUWFJFHSA-N 454.822 4.514 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 408923907 HZBZBTMVXVZBHN-UHFFFAOYSA-N 497.554 4.658 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 873196 WDJOGJDJLKQENO-UHFFFAOYSA-N 475.530 4.641 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060300 NATOKUDHFORUJM-DHIUTWEWSA-N 455.474 4.576 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 13095510 KZHJPSPVYUQILR-UHFFFAOYSA-N 499.936 4.887 5 40 JJBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 14270303 IUIZJYYTQNKMJV-UHFFFAOYSA-N 462.487 4.798 5 40 JJBB CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 16778369 HSWQVTNVHHWVLO-UHFFFAOYSA-N 479.518 4.790 5 40 JJBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 22564989 DKWMMKCGDWTLLQ-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1c(Cl)cccc1C(F)(F)F 62372428 DHNDFLABNIWCEG-UHFFFAOYSA-N 493.873 4.576 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 102761684 XFPFRSWGFYOUEZ-BHIFYINESA-N 463.877 4.608 5 40 JJBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223320480 JRAOUFLSBGAJNI-XMMPIXPASA-N 479.964 4.567 5 40 JJBB Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 225787399 RBCUJNLCXFCLKY-UHFFFAOYSA-N 489.962 4.782 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1C 408674858 KKPZIOBZIUBBMV-UHFFFAOYSA-N 483.546 4.647 5 40 JJBB Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1NC(=O)c1ccccc1 409203325 WLEGLYAMBYKOCD-BKUYFWCQSA-N 476.514 4.634 5 40 JJBB C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3273682 UNGCNDMQBGOICR-HNNXBMFYSA-N 466.877 4.513 5 40 JJBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 9971931 GPXXYOVXVJKAPL-UHFFFAOYSA-N 489.576 4.743 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 14279140 ARIYNCBFHFGFSF-NTUHNPAUSA-N 490.947 4.863 5 40 JJBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)o2)cc1 16429751 AZPBFUBMDJCSAN-UHFFFAOYSA-N 456.374 4.937 5 40 JJBB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 20428773 LSTFHPXGNIRKKV-UHFFFAOYSA-N 477.605 4.992 5 40 JJBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224427063 DGDUAIWMTHKHCZ-VWLOTQADSA-N 491.563 4.831 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409366368 QTZRVBHBTWMOLI-CIAFOILYSA-N 493.497 4.847 5 40 JJBB O=C(O)/C(=C/c1cc(/C=C(/C(=O)O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 3845550 CMCSGZKHQGITQU-KVOOEGMKSA-N 460.398 4.753 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 26463688 FUKZIHRZBGOIES-QFKVYABISA-N 465.292 4.778 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccccc2)C1 59489935 GRIMKADDUJTWRC-WXVAWEFUSA-N 480.609 4.601 5 40 JJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408567267 QSEARBKWXWAUDS-UMDVNSCSSA-N 499.567 4.637 5 40 JJBB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)o1 408600125 VCQBZWFGQNQYMO-UHFFFAOYSA-N 463.229 4.770 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683302 LCSUBGVNYBKRAK-UPRAQXHNSA-N 490.343 4.880 5 40 JJBB CC(C)CCOC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1313518 YVFVIRJKCGCCSK-UHFFFAOYSA-N 453.886 4.920 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4)n3Cc3ccco3)c1)OCOC2 2616908 GLXDOFUPMGIYFH-UHFFFAOYSA-N 450.476 4.653 5 40 JJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 8836788 IUWSAVGNOPMVFA-UHFFFAOYSA-N 465.916 4.811 5 40 JJBB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 9119779 AOOVUEUIEDHJFN-NRFANRHFSA-N 458.518 4.713 5 40 JJBB CCCCCOc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 11847452 YOVRJVDUUMBTBW-UHFFFAOYSA-N 475.548 4.705 5 40 JJBB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 12571821 ACKXKIAPDDXFBZ-UHFFFAOYSA-N 470.279 4.896 5 40 JJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14275940 ZZLATTUEOGNEKU-UHFFFAOYSA-N 477.930 4.582 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3200694 NSANSAUJMJYFGT-UHFFFAOYSA-N 468.516 4.566 5 40 JJBB CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 6088619 CLYGZIZPUZUOEX-UHFFFAOYSA-N 451.501 4.533 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1[N+](=O)[O-] 6280869 ODJRKFBYUNKQMP-UHFFFAOYSA-N 490.501 4.790 5 40 JJBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8832148 DRFYXOIJIYFJDL-UHFFFAOYSA-N 456.506 4.744 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833029 HHYHFVUTQWBISX-UHFFFAOYSA-N 489.768 4.518 5 40 JJBB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c([N+](=O)[O-])c1 9141514 LQWBQZSZZLBHLD-UHFFFAOYSA-N 482.468 4.611 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 9499197 XMIBGFGEQDRKNZ-UHFFFAOYSA-N 474.474 4.529 5 40 JJBB Cc1c(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCCO4)oc3ccccc23)cccc1[N+](=O)[O-] 9518517 BVDLUBBNVYPYAK-UHFFFAOYSA-N 473.441 4.925 5 40 JJBB O=C(O)[C@H](Sc1nc2ccc([N+](=O)[O-])cc2n1[C@@H](C(=O)O)c1ccccc1)c1ccccc1 16477184 XTPPYDCZVVJLND-WOJBJXKFSA-N 463.471 4.537 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1[N+](=O)[O-] 21576166 GFFJIVRUQOICQW-UHFFFAOYSA-N 484.512 4.864 5 40 JJBB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 59489090 FHCSNBUWGLVXNI-QFIPXVFZSA-N 455.392 4.871 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc([N+](=O)[O-])c1O 214716955 HQPDTODRFWGSAZ-VIZOYTHASA-N 455.275 4.852 5 40 JJBB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222566238 AGTYTJNLJDVIRE-XXBNENTESA-N 471.623 4.593 5 40 JJBB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226767559 UHENEWSNHKOWBM-UHFFFAOYSA-N 468.263 4.668 5 40 JJBB O=C(Nc1ccc(Br)cc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12510870 CMIYDDRQSBVAHD-UHFFFAOYSA-N 483.160 4.975 5 40 JJBB Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 138961569 FXMOEIMFWPODKK-UHFFFAOYSA-N 491.500 4.986 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224286193 GZKMUHBSTAVIKG-OAQYLSRUSA-N 457.958 4.657 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409199330 BZRVSLJFWURFPS-GEYIUBJWSA-N 470.503 4.552 5 40 JJBB O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 3125727 XUSOSOPJFPYFLK-UHFFFAOYSA-N 462.546 4.652 5 40 JJBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccc(Cl)cc1 9860245 ASIRDXYUSGBAKP-UHFFFAOYSA-N 495.974 4.885 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)Oc3ccc4c(c3)oc(=O)c3ccccc34)C2)cc1 11866754 JQGJKFNYCYEWPK-RBUKOAKNSA-N 491.565 4.697 5 40 JJBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 17201032 UVKQYYJJHBTKNH-UHFFFAOYSA-N 489.488 4.645 5 40 JJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)Nc1cccc2ccccc12 876196 BEZRAEWKXFXHRN-FQEVSTJZSA-N 489.557 4.916 5 40 JJBB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9493514 DVGUHAGJXUGVQG-GFCCVEGCSA-N 476.407 4.961 5 40 JJBB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13164288 QTNLAEKTYUEAEX-UHFFFAOYSA-N 457.468 4.638 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 102707746 HXXMZGFZVHQYJX-CCDWMCETSA-N 465.465 4.799 5 40 JJBB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225564300 GAYCKQYOTRZJIK-NRFANRHFSA-N 481.593 4.783 5 40 JJBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409347955 PEEVPXURUPXWRZ-HKMXWPIPSA-N 470.503 4.700 5 40 JJBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 3300485 NDBVGWQMNLFYJU-OUKQBFOZSA-N 480.498 4.695 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3511409 YERGDTFHAWTWFX-UHFFFAOYSA-N 499.972 4.987 5 40 JJBB COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c([N+](=O)[O-])cc1OC 9569234 PBQYKFJOPCHNMB-UHFFFAOYSA-N 467.503 4.519 5 40 JJBB Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 11617143 NIHHIVSLOAIDLK-UHFFFAOYSA-N 488.909 4.694 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 16479887 GNLNLSYHKDDDQP-UHFFFAOYSA-N 450.926 4.823 5 40 JJBB Cc1sc2nc3c4ccccc4c(NC[C@H](c4cccs4)N4CCOCC4)nn3c(=O)c2c1C 23983733 LRJSHVKZKZHJTL-LJQANCHMSA-N 491.642 4.621 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102707374 XDGUDTSUVLEHAK-DSITVLBTSA-N 465.465 4.799 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102708237 ZZGDUMSFNPCPEV-DYXWJJEUSA-N 484.295 4.953 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 102725693 HTMKSIUKRBNEIZ-GVAUOCQISA-N 465.465 4.799 5 40 JJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408564824 FWFHVVXWGGGWBF-USCUKXROSA-N 499.567 4.719 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 2082836 IRMFTVGPUQKIMF-LLVKDONJSA-N 461.496 4.754 5 40 JJBB CCOC(=O)COc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1C 2118285 UYANOAGNNHKIAJ-UHFFFAOYSA-N 456.450 4.970 5 40 JJBB biogenic O=C(N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)OCc1ccccc1 3013855 OPOHCSGURMTFQV-AWEZNQCLSA-N 477.757 4.504 5 40 JJBB CCN1CCN(c2nn3c(=O)c4c(-c5ccc(C)cc5)csc4nc3c3ccccc23)CC1 8433120 JIMQHGKUYCRKRY-UHFFFAOYSA-N 455.587 4.575 5 40 JJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCCCC2 9968816 GNUYAAZSKHYKCX-UHFFFAOYSA-N 468.535 4.599 5 40 JJBB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 12624446 WWIQFQGUZADQQL-CPNJWEJPSA-N 466.877 4.979 5 40 JJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14271080 JPQXMOHVJUMVDO-UHFFFAOYSA-N 460.855 4.852 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102773833 RLNBELBECOHQEU-ZGXDEKTJSA-N 489.528 4.553 5 40 JJBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408657514 UKLHSCOHESJUKZ-KRWDZBQOSA-N 494.887 4.820 5 40 JJBB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc12 4149951 PKQRVCQBURJZFU-UHFFFAOYSA-N 454.460 4.698 5 40 JJBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8898775 QEKFDZBZPKKPOS-UHFFFAOYSA-N 479.880 4.540 5 40 JJBB CC[C@@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NC[C@H]1CCCO1 9473226 LHAIXFXULDGIBC-FOIQADDNSA-N 499.434 4.964 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060413 SHJFILJUMHSTBW-VXKWHMMOSA-N 455.474 4.576 5 40 JJBB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ncc([N+](=O)[O-])s4)cc3)c(C)oc2c1 12322475 YKYAKUUMFYWJEB-UHFFFAOYSA-N 453.432 4.519 5 40 JJBB biogenic O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cc([N+](=O)[O-])cc(Cl)c1O 215749035 YGCDFWOWPPHNQN-OQLLNIDSSA-N 473.272 4.663 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247332248 PIHWZSSHCMEQBB-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB COc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 409001150 UUGJFMDDBYXHDM-UHFFFAOYSA-N 468.421 4.922 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 409411069 TWYAHXWRBLPEHI-UHFFFAOYSA-N 489.937 4.927 5 40 JJBB O=C(Nc1cccc(Br)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 680103 WIECRIUABPUHDO-UHFFFAOYSA-N 480.116 4.617 5 40 JJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3324610 XEHGQXLXFJGDKL-UHFFFAOYSA-N 482.543 4.672 5 40 JJBB Cc1cc(C)c(-c2cc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n(-c3ccccc3)n2)cc1C 3358316 JUEZPNVWUWITFV-UHFFFAOYSA-N 474.473 4.761 5 40 JJBB CCNc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 12652746 DTFZVJALPHSOIS-SNVBAGLBSA-N 459.808 4.883 5 40 JJBB Cc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)o1 408632565 RJQFHDAXEKVBBV-AUWJEWJLSA-N 452.242 4.527 5 40 JJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 408644628 HGHHGBYRKXAFOK-UHFFFAOYSA-N 475.432 4.753 5 40 JJBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 409173638 NEPVDHXVOBZWBI-UHFFFAOYSA-N 459.911 4.539 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)cc1C 409410564 OBMNSQLVFLFEKO-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 6280794 DFXFPDJOLIWJMX-MRXNPFEDSA-N 475.530 4.976 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 8832590 PFOSHIVNHXOQTG-UHFFFAOYSA-N 470.938 4.524 5 40 JJBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20153079 ROZPYRUICZVDAG-UHFFFAOYSA-N 494.573 4.773 5 40 JJBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 27020152 QVMDZUOSGDHACG-FQEVSTJZSA-N 498.417 4.610 5 40 JJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 89643246 MCBMHRVNYAHGNZ-UHFFFAOYSA-N 454.504 4.564 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661328 QPBTVWWOONYKHU-LMHXZZLNSA-N 483.282 4.832 5 40 JJBB CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 2203416 URDZJRNXCZGNNE-JOCHJYFZSA-N 484.559 4.710 5 40 JJBB CCc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2221627 CHPZOVSESYHBLL-QGZVFWFLSA-N 473.964 4.738 5 40 JJBB Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)c1 9062441 QJPVLPVXCXLGSS-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 9062476 WDQAECNNUAFCJK-UHFFFAOYSA-N 486.724 4.674 5 40 JJBB Cc1nc(-c2ccc(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cs1 14729767 SERKPTGLKYKTDO-UHFFFAOYSA-N 453.567 4.946 5 40 JJBB COc1cc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 20897809 ACMQKLQDDAAMTA-CQSZACIVSA-N 454.483 4.716 5 40 JJBB COc1cc(CCNC(=O)CCCNc2nc(-c3ccc(C)s3)cs2)c([N+](=O)[O-])cc1OC 40122822 SIMHJIODJHKXEZ-UHFFFAOYSA-N 490.607 4.656 5 40 JJBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)s1 44087362 AFWSDJWPFCPYNN-UHFFFAOYSA-N 486.966 4.992 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c1)[C@H]1C=C[C@H]2C1 408748463 AONJQMZIIQTQDB-FEBSWUBLSA-N 463.540 4.808 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl 408964615 DUPBRNAODYJFBU-XEQCSASXSA-N 471.900 4.616 5 40 JJBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1c2ccccc2Sc2ccc(Cl)cc21 869954 QGRYATVNKHJKLU-UHFFFAOYSA-N 464.894 4.731 5 40 JJBB CC[C@@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(OC)cc4)n32)CO1 2446957 ZAZWMNNQCZEJQH-QFIPXVFZSA-N 466.592 4.529 5 40 JJBB Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 8846140 DMTMGXOOWGJKJC-HXUWFJFHSA-N 492.285 4.917 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 9138908 ARYBGRNRKSKUCZ-LJQANCHMSA-N 455.264 4.894 5 40 JJBB C[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1 9442027 BMVQOJICKKOSHF-LLVKDONJSA-N 476.308 4.665 5 40 JJBB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 39752578 ABYKTTYKJHKNKR-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)N1c1ccccc1 102730074 CJNZCBZZPHBHJA-GVAUOCQISA-N 481.464 4.906 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223556902 GMUUXAPFRAXYGO-DNQXCXABSA-N 487.541 4.826 5 40 JJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)cc1 408684747 NYFQHZNNJJUSMI-QFIPXVFZSA-N 471.918 4.855 5 40 JJBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc(I)c1 1421510 MLPVQDPTCHHFSY-UHFFFAOYSA-N 486.221 4.792 5 40 JJBB Cc1c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] 9883106 XZQRKPXTVDWAAQ-KRWDZBQOSA-N 487.969 4.725 5 40 JJBB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 10187669 MHCSFVQLTUVBKL-FMIVXFBMSA-N 476.514 4.863 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 12550928 LHZLFTNPRAFMKL-JOCHJYFZSA-N 470.464 4.920 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 30759055 KKLVLLQFSRFHBM-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39762996 FLEGUXRJZRBXLK-VAWYXSNFSA-N 461.459 4.611 5 40 JJBB O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1ccco1 108275855 XLTTUUFQSSHCHZ-UHFFFAOYSA-N 476.470 4.827 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2425572 SZQWCKUZGRKTFV-UHFFFAOYSA-N 469.545 4.815 5 40 JJBB CN(C)C(=O)[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 9671266 TWDHJNIWZNEVRT-OAQYLSRUSA-N 459.531 4.764 5 40 JJBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 31468804 WUXDHUZOQIRUOC-SFHVURJKSA-N 452.555 4.630 5 40 JJBB CCN(CC)CCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(sc3nc(C)cc(COC)c32)c1=O 35326858 CHDXYEUQIQSTHT-UHFFFAOYSA-N 495.605 4.768 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408839155 NXQLUEIDNRQTHX-KGENOOAVSA-N 472.453 4.866 5 40 JJBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccccc1OCC 408993332 WENKYDPBQQSKAA-OAQYLSRUSA-N 455.536 4.764 5 40 JJBB CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 2054668 SNBFJPVUOLSXIM-UHFFFAOYSA-N 472.453 4.583 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 9424229 RKRXFPUFHNLTPZ-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408642906 PRIIUXXOFDHLDE-QGZVFWFLSA-N 461.474 4.696 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 3467927 XXLOROMBSQAYJC-CQSZACIVSA-N 461.430 4.596 5 40 JJBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 14279267 CWLYZZHTWNIFNA-UHFFFAOYSA-N 482.924 4.819 5 40 JJBB Cc1c(NC(=O)COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cccc1[N+](=O)[O-] 18258151 BEACCJJNGLURAJ-XFKLWTPLSA-N 465.344 4.509 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 20519129 QPGZIVYPMJDZHQ-AALWMKDKSA-N 485.565 4.722 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223475067 PVRZUSYXVIJNFV-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 8834877 SUPNQULYGXMGGW-OAQYLSRUSA-N 469.925 4.632 5 40 JJBB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 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CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 14041846 HSCWWXBUKFGQHH-UHFFFAOYSA-N 452.330 4.663 5 40 JJBB CC(C)C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 20108767 HVQWJRYTTIKDEH-DEOSSOPVSA-N 481.574 4.694 5 40 JJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1OC 30011670 LOQSAIFZSGSXPF-UHFFFAOYSA-N 450.495 4.793 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409234542 NPXWVUWJLUYZCT-RGVLZGJSSA-N 481.461 4.977 5 40 JJBB COc1cccc2c1Oc1cc([N+](=O)[O-])cc3c1C(=C2)CN3S(=O)(=O)c1ccc(C)cc1 1080320 YSBAZEIRTFWJMX-UHFFFAOYSA-N 450.472 4.767 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 1313708 HTMKSIUKRBNEIZ-UBFVSLLYSA-N 465.465 4.799 5 40 JJBB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878524 XWMQVFOAPDHCTK-AWEZNQCLSA-N 474.974 4.899 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1nnc(-c2ccccc2)c2ccccc12 16046246 DYGCSAPVYWTQTA-UHFFFAOYSA-N 476.514 4.782 5 40 JJBB COc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 89909830 DTPRKWDSXHEHBK-HNNXBMFYSA-N 457.508 4.586 5 40 JJBB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 10254348 AGZIXQCKAZTYPU-BJMVGYQFSA-N 476.514 4.863 5 40 JJBB O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102724481 FPWJGVZMUJRDLG-PWRODBHTSA-N 484.295 4.953 5 40 JJBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223434000 NHFIZIPEZGALEE-DQEYMECFSA-N 485.569 4.962 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1Cl)[C@@H]1CCCN12 408563284 AEPQMIHRTVIBJM-TUPPOGIXSA-N 489.959 4.974 5 40 JJBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409178500 KGZLSXRMXYQXRD-STZFKDTASA-N 476.514 4.623 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409213224 TVZBZYZWWNHUFQ-BDQMVGTNSA-N 493.541 4.976 5 40 JJBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 6150826 RLLZWTPPBIGRAF-UHFFFAOYSA-N 455.562 4.889 5 40 JJBB Cc1ccc(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 9499282 IZEBDNHPQRPORG-UHFFFAOYSA-N 452.521 4.559 5 40 JJBB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 3254780 HSJIYEFAJAEARR-GFCCVEGCSA-N 475.552 4.717 5 40 JJBB COc1cc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F 14023322 ASJMQKHTPLLMGY-UHFFFAOYSA-N 486.427 4.838 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 16691971 CQDCGHUZLQINRG-UHFFFAOYSA-N 492.513 4.694 5 40 JJBB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 21469401 BRFCDINLJBJPLH-HOYKHHGWSA-N 493.541 4.631 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 100998840 UPLCSJYZDURRJX-XMGLRAKGSA-N 481.512 4.756 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223987199 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CC1(C)C[C@]2(C)C[C@@](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)[C@]13O[C@]1(CC(C)(C)CC3=O)C2 103750293 SBUQBCVVCLTAGI-RCTAOEEJSA-N 486.521 4.916 5 40 JJBB COc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 6905952 ILMNNALKIFBARA-UHFFFAOYSA-N 470.454 4.872 5 40 JJBB CCOc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1Br 10010567 XDAGLLPIECMDFY-UHFFFAOYSA-N 452.286 4.627 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1n[nH]c2ccccc12 12532389 MEJPXJGKWDIGPJ-HXUWFJFHSA-N 495.289 4.770 5 40 JJBB Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409181287 APVALZAWADZFKU-OAQYLSRUSA-N 465.374 4.501 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409234222 JEXXRJYXHCEWOX-CIAFOILYSA-N 473.485 4.584 5 40 JJBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] 16284374 PZUMDBQVDZTYGA-UHFFFAOYSA-N 453.458 4.808 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 408685354 PDXVXXHNDDJVKM-IYBDPMFKSA-N 476.316 4.634 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc(C(F)(F)F)c1 408877133 SYWDEZOAGZYMIU-CHHVJCJISA-N 485.827 4.942 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 408943920 ZPWCPMGOGIIZCY-WQRHYEAKSA-N 453.838 4.610 5 40 JJBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409347957 PEEVPXURUPXWRZ-LQFJMUIISA-N 470.503 4.700 5 40 JJBB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1OC 1080683 HPDUDAFEWHWENQ-DEOSSOPVSA-N 485.500 4.889 5 40 JJBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2247149 UEVWGCIVKLAWCY-HNNXBMFYSA-N 463.900 4.564 5 40 JJBB Cc1c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 3288048 QEYSTCNTRJWCHL-UHFFFAOYSA-N 450.291 4.736 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC(C)C)cc1 9465510 UOHHQPWCOUIFSR-UHFFFAOYSA-N 475.958 4.902 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 9487202 ACEKSFGFUUYANC-UHFFFAOYSA-N 453.491 4.507 5 40 JJBB C[C@H](NC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)c1ccccc1 845324 NJYPJCHUAJIDSN-ZDUSSCGKSA-N 455.396 4.814 5 40 JJBB Cc1nn(C(C)(C)C)c(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1S(=O)(=O)c1ccccc1 9958530 DSMCLUOMFICABF-UHFFFAOYSA-N 477.926 4.560 5 40 JJBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 13946145 PXQCIXRDPBRKJV-UHFFFAOYSA-N 490.394 4.744 5 40 JJBB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 18042773 CXFJQQVPJQDFSK-UHFFFAOYSA-N 473.920 4.821 5 40 JJBB CC(C)CCSc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 60319382 ODLZLXURINTPSP-UHFFFAOYSA-N 470.595 4.687 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 102755229 MNXKREDWCRGYCZ-SDHSZQHLSA-N 481.464 4.906 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223814902 GZYBTUHBCASMBZ-QGZVFWFLSA-N 490.025 4.958 5 40 JJBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224543075 SCBALUMRGIJNRM-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] 409008256 XIPKQAITJLYLNV-UHFFFAOYSA-N 450.476 4.749 5 40 JJBB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 862088 WSRHINGBPHBSHN-UHFFFAOYSA-N 451.430 4.623 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1[N+](=O)[O-] 2064383 KGZNOBCQZUHFDI-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 6150875 BYHARZCYYFPGNT-INIZCTEOSA-N 489.963 4.687 5 40 JJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc3c(c2)OCO3)cc1 8836760 WVBBSWIKCPHZCN-UHFFFAOYSA-N 475.508 4.677 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 9075960 ZZGDUMSFNPCPEV-SFHLNBCPSA-N 484.295 4.953 5 40 JJBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 10119933 JDUUIBLQMJIHIA-DHZHZOJOSA-N 488.485 4.682 5 40 JJBB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2)c1 12312237 JFJSZWZKUJYFCH-XMMPIXPASA-N 475.501 4.740 5 40 JJBB O=C(O)[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2n1[C@H](C(=O)O)c1ccccc1)c1ccccc1 16477187 XTPPYDCZVVJLND-PMACEKPBSA-N 463.471 4.537 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(C)ccc2C)cc1 19856248 ARQZXKDCMXHKHL-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 20753378 HHBAGUQGMFCLRW-UHFFFAOYSA-N 473.514 4.853 5 40 JJBB Cc1nn(Cc2ccc(C(=O)NCc3ccc(CN4CCC[C@@H](C)C4)cc3)cc2)c(C)c1[N+](=O)[O-] 58949044 JHCPSRITAXNCLH-LJQANCHMSA-N 475.593 4.618 5 40 JJBB Cc1c(NC(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cccc1[N+](=O)[O-] 103208782 BEACCJJNGLURAJ-VKFLQFAXSA-N 465.344 4.509 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 247332357 PKPFHGIUQUSLQN-KIHHCIJBSA-N 499.910 4.647 5 40 JJBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 409357369 QCKYEZATHUICTF-FYJGNVAPSA-N 490.541 4.736 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)c(CC)nc32)cc1 2333022 UUGXTWMAJYCMGQ-UHFFFAOYSA-N 493.523 4.664 5 40 JJBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@H](NC(=O)OCc4ccccc4)C(C)C)cc3oc12 9129433 JGRYINBPWKPJMN-HSZRJFAPSA-N 475.497 4.817 5 40 JJBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1C 13856794 JMAMYEIKHSBQTQ-FQEVSTJZSA-N 488.496 4.783 5 40 JJBB COc1cc(C(=O)N2CCN(Cc3ccco3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 17817639 YSFZFMJLJPYMQK-UHFFFAOYSA-N 471.897 4.600 5 40 JJBB O=C(c1ccccc1)c1ccc(NCc2ccc(N3CCCC[C@@H]3CCO)nc2)c([N+](=O)[O-])c1 40149333 QQPXQMLEQBSWPS-JOCHJYFZSA-N 460.534 4.574 5 40 JJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 57945251 SFILBAFTFXCNEP-HSZRJFAPSA-N 468.916 4.889 5 40 JJBB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N(CC(=O)OC)C2=S)cc1 409057731 MATGRWPXUJDMMC-STZFKDTASA-N 491.525 4.565 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409130615 WUHZGHCWOFGOKX-UHFFFAOYSA-N 459.443 4.649 5 40 JJBB COc1ccc(Cn2c(-c3ccccc3Cl)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2324684 VZXLAWVRICJXRT-UHFFFAOYSA-N 457.917 4.626 5 40 JJBB COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 9064587 OATLYPIFIAGXIK-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc4[nH]c5ccccc5c(=O)c4c3)c2c1C 12745528 LVSCYUJXMKUZJF-UHFFFAOYSA-N 472.570 4.927 5 40 JJBB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14276356 WUFAMDNSSIYSOZ-UHFFFAOYSA-N 475.574 4.698 5 40 JJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 16449512 HQFNYESJSCQFHY-UHFFFAOYSA-N 479.436 4.596 5 40 JJBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409173764 RORTURGLQDMGPI-UDWIEESQSA-N 463.471 4.838 5 40 JJBB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)o1 409412448 KWZKUNPQTGGVHK-UHFFFAOYSA-N 463.229 4.770 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 8969573 PAKCWQZRQFKPKC-SDHSZQHLSA-N 487.512 4.825 5 40 JJBB CC(C)c1ccc(/C=C/C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 14269090 KWPHEFZTJVXKGI-DHZHZOJOSA-N 472.998 4.608 5 40 JJBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274730 KAVRYLDUMAHBBZ-UHFFFAOYSA-N 489.557 4.574 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]12 59433430 MDTZQDXNDUZTLX-AYIBLLACSA-N 454.482 4.564 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224328248 ADBOOAXPBLUHQN-OAQYLSRUSA-N 457.958 4.657 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1 408921594 JGCCFJRKTQNGPF-MDWZMJQESA-N 451.504 4.664 5 40 JJBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6245562 OQSWTQNBQDNRKK-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8902750 XNTZIIQOZXTCRZ-UHFFFAOYSA-N 477.502 4.902 5 40 JJBB COc1cc2c(cc1NC(=O)[C@@H](C)Nc1cc3c(cc1[N+](=O)[O-])OCCO3)oc1ccccc12 9562941 PUNAEJNWKHPLNA-CYBMUJFWSA-N 463.446 4.713 5 40 JJBB COc1cc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)c(C)cc1[N+](=O)[O-] 9662746 MALAMTWBLXTJMQ-UHFFFAOYSA-N 468.466 4.740 5 40 JJBB Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C(C)(C)C)C4)o2)c(C)c1[N+](=O)[O-] 2747102 XFXJSNNQJPLPHB-CQSZACIVSA-N 499.593 4.613 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8647776 FAYNHZQWDXUAFW-UHFFFAOYSA-N 464.322 4.867 5 40 JJBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 8894453 UGUXMAFJRKJELY-UHFFFAOYSA-N 474.546 4.635 5 40 JJBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1 22257462 TZSWUHUMSYLOQZ-UHFFFAOYSA-N 480.521 4.702 5 40 JJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(OCc2ccccc2)cc1 22573675 MGYBENWMJSQVSM-UHFFFAOYSA-N 464.528 4.910 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 36003764 YIGHDGQXVNRDNI-NEWJYFPISA-N 499.910 4.647 5 40 JJBB Cc1ccc(-n2c(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)nnc2-c2ccncc2)cc1 6280229 XCCCMYUZXRHPHJ-UHFFFAOYSA-N 471.502 4.888 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N[C@@H]1CCCc2ccccc21 8687215 MVABDODDEINGAW-XMMPIXPASA-N 459.502 4.558 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@]21C(=O)N(c2ccccc2)N=C1C 16607494 LMWYGKCULRTENX-KAYWLYCHSA-N 479.496 4.510 5 40 JJBB O=C(O)/C(=C/c1cc(Br)cc([N+](=O)[O-])c1O)Sc1nnc(-c2ccc(Cl)cc2)o1 408634971 VZMXOVLSIUNQDP-MLPAPPSSSA-N 498.698 4.984 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 2148086 WBOGNORRRVMTBD-FQEVSTJZSA-N 455.507 4.718 5 40 JJBB biogenic CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC)c(C)nc32)cc1 2400826 LARIFHQHYWCLCD-UHFFFAOYSA-N 455.518 4.569 5 40 JJBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13841909 KCRTXROZJPDRBD-UHFFFAOYSA-N 482.349 4.823 5 40 JJBB COc1ccccc1-n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2218063 YXAYTBOKDFPVGG-UHFFFAOYSA-N 461.525 4.843 5 40 JJBB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 3274887 NHSIZYMCXXCGLB-UHFFFAOYSA-N 486.604 4.839 5 40 JJBB COc1cc(C(=O)OCC(=O)NC2CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3455468 NUAXYFGDKPZPDV-UHFFFAOYSA-N 462.886 4.655 5 40 JJBB CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8767748 QTIPGPGRTSEUDY-UHFFFAOYSA-N 454.486 4.931 5 40 JJBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])c2n1 13148808 OTEINWDCBXQARB-UHFFFAOYSA-N 492.315 4.936 5 40 JJBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)ccc1OCC(=O)O 79495401 NLCZHSSUAJNWRR-UHFFFAOYSA-N 477.473 4.770 5 40 JJBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4nonc34)nnc2-c2ccccc2O)c(C)c1 408607792 URYXLIVFYOXJND-UHFFFAOYSA-N 460.475 4.852 5 40 JJBB CCOc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408994620 ZZWPFTCQRHHKFJ-CXAGYDPISA-N 463.562 4.543 5 40 JJBB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9545688 TUBOQPXZGWUTIK-NSHDSACASA-N 482.349 4.728 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])s1 10037754 FMJPKQCGKQJAKV-UHFFFAOYSA-N 473.576 4.530 5 40 JJBB C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111831 NKMZFOPFYRFBSH-IBGZPJMESA-N 495.601 4.965 5 40 JJBB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12798168 KMEBDJXUFCJXPC-MOPGFXCFSA-N 461.566 4.806 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 15970726 LANUYUGYIILBSZ-VVWXKSFDSA-N 485.418 4.582 5 40 JJBB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 15991803 ICFYEDTZZNFYRL-UHFFFAOYSA-N 465.535 4.532 5 40 JJBB CNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 36844541 PCURRQNKWYHRKD-UHFFFAOYSA-N 455.854 4.661 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1912588 QXXAXQGDKDMGFM-JOCHJYFZSA-N 498.520 4.564 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nc2cc([N+](=O)[O-])ccc21 12311405 QEFVYAWAZRJVFL-UHFFFAOYSA-N 460.515 4.624 5 40 JJBB Cc1ccc(-c2c3[nH]c4c(c(=O)n(C)c(=O)n4CC(C)C)c3nc3sc4c(c23)CCC4)cc1 12652165 ZMNZRNJTXCWJNW-UHFFFAOYSA-N 458.587 4.911 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2[N+](=O)[O-])CC1 14070728 CNJXLYAKFIFGAU-UHFFFAOYSA-N 458.946 4.573 5 40 JJBB COc1ccc(-c2csc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1OC 23660330 AJJXDOQJCFWLPS-UHFFFAOYSA-N 468.535 4.591 5 40 JJBB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl 32116471 UERJOAQOZRMEOJ-UHFFFAOYSA-N 450.470 4.731 5 40 JJBB C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 35645551 AKVYQGWHLOLELE-UOKFIYJESA-N 453.564 4.688 5 40 JJBB in-vitro O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 102705873 RYAHVHBGHKSZTJ-ALTZYDRJSA-N 491.503 4.968 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1Cc1ccccc1 102743327 QFBRVYRJRGJSGC-YPAWHYETSA-N 498.322 4.948 5 40 JJBB Cc1cccc(OCc2nn(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=S)o2)c1 409156993 UJTDZCHZZHJGPE-UHFFFAOYSA-N 483.531 4.763 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 9033976 IELAPGRSLWSENY-IBGZPJMESA-N 453.491 4.568 5 40 JJBB biogenic Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3ccccc3o2)c1O 9064891 FCTIZPGYEOQKHB-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14269259 BXGPOXPLSXNJJS-UHFFFAOYSA-N 459.483 4.803 5 40 JJBB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14272690 HVAHUWFPDIQVGZ-UHFFFAOYSA-N 456.506 4.798 5 40 JJBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16347586 NOIGVQANDWDIAU-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB COC(=O)C1=C(C)NC(CSc2nccn2-c2ccccc2)=C[C@@H]1c1cccc([N+](=O)[O-])c1 100914499 YGPOWEBEWVERFC-OAQYLSRUSA-N 462.531 4.591 5 40 JJBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224956621 XKDZMHJEZIUGHZ-LJQANCHMSA-N 499.633 4.703 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccccc2)N=C1C 248059854 VITOVSAHCTYVSZ-JNMKDEPVSA-N 479.496 4.510 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 408571149 NWLHCAKHFIWDBA-RTFLAGNKSA-N 481.911 4.626 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1 2309309 AZFVUGOIMZJKHS-UHFFFAOYSA-N 475.552 4.902 5 40 JJBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 6245448 VVKPWVHZHDIKFR-UHFFFAOYSA-N 474.546 4.827 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1C(F)(F)F 9328514 PGIJGILKOFWSEC-NJDAHSKKSA-N 483.402 4.665 5 40 JJBB CN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 12388759 YAWRRNFEEVIZNQ-UHFFFAOYSA-N 457.515 4.869 5 40 JJBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(Cc2ccccc2)CC1 20759145 XXLOEJMZMJNTIB-UHFFFAOYSA-N 472.548 4.550 5 40 JJBB biogenic CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 62588305 QMXZUXLIPDESRW-MZLICYQSSA-N 481.596 4.978 5 40 JJBB O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 524221864 OKSHYXKCARASCB-DEOSSOPVSA-N 475.936 4.809 5 40 JJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)cnc32)cc1 2321216 ZVHJFFLIOADHMI-SFHVURJKSA-N 461.525 4.961 5 40 JJBB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3339927 VDKDZADQSTZFDT-UHFFFAOYSA-N 481.484 4.911 5 40 JJBB Cc1ccc(S(=O)(=O)n2cc(Cc3ccccc3)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 3672281 JHPIOVDHSWPOTD-UHFFFAOYSA-N 451.460 4.594 5 40 JJBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccco1 4326187 LIBZEUIRMKLMMN-UHFFFAOYSA-N 455.905 4.946 5 40 JJBB Cc1sc2c(c1C)c(=O)[nH]c1c(C(=O)NCc3cccs3)c3nc4ccccc4nc3n12 6143832 SWDNSVYMCFWFJJ-UHFFFAOYSA-N 459.556 4.547 5 40 JJBB CC(C)[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 9220983 VEPMFLUVMIEBDX-FQEVSTJZSA-N 450.461 4.843 5 40 JJBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1CSCN1C(=O)OCc1ccccc1[N+](=O)[O-] 16940579 SWCOOTSCHYEYKI-QFIPXVFZSA-N 478.526 4.939 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1Cc1ccccc1 18145245 QFBRVYRJRGJSGC-FSSWDIPSSA-N 498.322 4.948 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 101195305 TXRMFAGOPOCSLU-ZLNRFVROSA-N 477.904 4.916 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224761842 WHKZRBMXHPAKFY-QGZVFWFLSA-N 457.958 4.657 5 40 JJBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 409177609 AWXXMPSHVDOIOX-UHFFFAOYSA-N 494.308 4.774 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 409178689 NVZPYCKKNRMQAG-LPYMAVHISA-N 490.541 4.736 5 40 JJBB O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8684640 JSIUIRIMMQFPTA-UHFFFAOYSA-N 489.915 4.984 5 40 JJBB aggregator CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 8835716 OIROPZHAKPAKRA-UHFFFAOYSA-N 489.985 4.714 5 40 JJBB COc1ccc(CNC(=O)c2cc3c4ccccc4n4c(=O)c5c(OC)c(OC)ccc5c(n2)c34)cc1 8877940 ICLZEVHGCJWECK-UHFFFAOYSA-N 493.519 4.548 5 40 JJBB biogenic Cc1nc([N+](=O)[O-])cn1Cc1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13640556 JONYNWVYEQBXOI-UHFFFAOYSA-N 492.471 4.953 5 40 JJBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14275821 XURIOTOESTZPBJ-UHFFFAOYSA-N 474.546 4.887 5 40 JJBB Cc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)c([N+](=O)[O-])n1 33527751 GBVFNEAXXORKOW-AXFILPCPSA-N 462.462 4.686 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223478571 UETXZHPFEQSRNL-ZEQRLZLVSA-N 487.541 4.826 5 40 JJBB COc1ccc2c(C)cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nc2c1 6154115 CQZXGZYYQBVROO-UHFFFAOYSA-N 462.325 4.953 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519242 IQEGCBKLGKPGQO-OHTANWTRSA-N 489.528 4.553 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528885 AJVNGJHPLGSXNH-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl 32109651 QIHSGSOZPZOZGR-UHFFFAOYSA-N 451.870 4.860 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224791720 YCNDPGRFDVNXTO-KRWDZBQOSA-N 457.958 4.657 5 40 JJBB Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 408919166 UGWFJSCYEIRFMG-QQNJPBSNSA-N 458.901 4.959 5 40 JJBB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409359476 JRDDNCHUHIKUCH-UHFFFAOYSA-N 475.571 4.818 5 40 JJBB CCn1c(CNc2ccccc2Cl)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878527 WPUXHSRJLWLQBC-ZDUSSCGKSA-N 460.947 4.591 5 40 JJBB Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10434402 YKYNZJBQYDFMAY-UHFFFAOYSA-N 499.614 4.909 5 40 JJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1Cl 2253097 YIUJDRRJZLFKHQ-KRWDZBQOSA-N 459.937 4.733 5 40 JJBB CN(C)CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3 10068239 JGWORRHJGYVGBZ-UHFFFAOYSA-N 498.586 4.789 5 40 JJBB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 12342065 PQZKMCBJQGLXHZ-UHFFFAOYSA-N 468.391 4.932 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12843034 YHHHTMAYBSNTTH-UHFFFAOYSA-N 470.938 4.524 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223809600 QAHARYZRPXVNFH-QFIPXVFZSA-N 475.586 4.691 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1Cl 2366502 HHBSUHIEEMDYHC-UHFFFAOYSA-N 457.877 4.587 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(c1ccccc1)c1ccccc1 3242417 XVMXAQNWXZSHCF-UHFFFAOYSA-N 479.539 4.655 5 40 JJBB COCCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 9443773 IIXQYZFPXJNVFX-LBPRGKRZSA-N 496.376 4.926 5 40 JJBB O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 12538027 UAAUWLFPYCPICB-UHFFFAOYSA-N 470.478 4.542 5 40 JJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223809587 QAHARYZRPXVNFH-JOCHJYFZSA-N 475.586 4.691 5 40 JJBB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409123514 CHROWXBKQHWZQH-WOJGMQOQSA-N 493.335 4.619 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 976238 VMXWMXDCWYRQKH-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 2636367 QRXLVBCYZQODQI-AWEZNQCLSA-N 485.518 4.700 5 40 JJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 8836814 WHKTUWNTSGRFNK-UHFFFAOYSA-N 457.534 4.881 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4ccc(F)cc4)nc2c31 8878098 LHMBDIIIHPLACT-UHFFFAOYSA-N 481.483 4.678 5 40 JJBB biogenic Cc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)/C=C/c3ccccc3)cc2)cc1[N+](=O)[O-] 48279947 KTJZCRVUSCBCFD-RIYZIHGNSA-N 468.469 4.590 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222502818 AYIAWZYFLFNXKM-WZONZLPQSA-N 487.622 4.559 5 40 JJBB C[C@@H](c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1 2730089 DBCNLTWJOZTJIQ-JTQLQIEISA-N 465.326 4.547 5 40 JJBB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 9630908 WXDAGNYPCKJKOS-UHFFFAOYSA-N 456.458 4.779 5 40 JJBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14240985 FHYSKBIQVDKNQN-IFXJQAMLSA-N 486.912 4.747 5 40 JJBB CC(C)NCC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@H](C(C)(C)C)C2 15946879 HJBDOTIDFZXVBW-HNNXBMFYSA-N 472.611 4.996 5 40 JJBB Cc1c([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 24760917 VOWVMUIBEPLGDE-GFCCVEGCSA-N 468.457 4.684 5 40 JJBB CCOC1=C(COc2ccc3c(c2)oc(=O)c2ccccc23)N(C)C(=O)N[C@H]1c1ccccc1 2116480 QRNCVNRTIYGTDT-DEOSSOPVSA-N 456.498 4.969 5 40 JJBB biogenic CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(F)c1 2420990 QLYAZPVYIQXWRW-UHFFFAOYSA-N 493.498 4.762 5 40 JJBB Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2731387 BUWLCIJUZINXEV-GFCCVEGCSA-N 476.925 4.650 5 40 JJBB COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792175 CKJLLZQTZPCUNM-UHFFFAOYSA-N 479.492 4.627 5 40 JJBB biogenic COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1OC 9633006 ZOTJFVPRFPNEHP-UHFFFAOYSA-N 495.460 4.758 5 40 JJBB COc1ccc2nc3sc4c(SCC(=O)NCc5cccs5)ncnc4c3cc2c1 13086123 CLODRDLBNIZYOQ-UHFFFAOYSA-N 452.586 4.871 5 40 JJBB CN(C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 14359194 WYIZDXWUXNCDKG-UHFFFAOYSA-N 494.356 4.760 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20567424 LHXBEALTCFEOFJ-OPJGWUQDSA-N 461.905 4.624 5 40 JJBB COC(=O)C1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCCCC1 25171476 CXZPZZOJPZZOQG-UHFFFAOYSA-N 462.886 4.655 5 40 JJBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223242356 SSVOVBVRDWNCTE-IBGZPJMESA-N 484.405 4.688 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223561166 KVQDCOQSQNRDMC-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223991515 SWXJQADBMNHUNK-QHCPKHFHSA-N 487.622 4.560 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247333109 PKPFHGIUQUSLQN-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 408571013 MSXHALUUQCFAMN-LJQANCHMSA-N 493.383 4.856 5 40 JJBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408682097 IRVXEGRDCXYIIE-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408748464 AONJQMZIIQTQDB-WZBLMQSHSA-N 463.540 4.808 5 40 JJBB Cc1ccccc1OCc1nn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=S)o1 409160614 UWNNPTUBHSJZNH-UHFFFAOYSA-N 483.531 4.763 5 40 JJBB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 409239188 OTPBCLNDWZCUOC-ZVHZXABRSA-N 466.497 4.999 5 40 JJBB COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2Cc2ccco2)cc1 3346428 MDPMPXFBCOTBHE-UHFFFAOYSA-N 480.502 4.662 5 40 JJBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 9987490 STSKMUDJJCFIRN-UHFFFAOYSA-N 481.484 4.911 5 40 JJBB C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 12551746 KXGXGGLYMZLOCR-ZDUSSCGKSA-N 480.477 4.921 5 40 JJBB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cs1 12554368 NZVBMSAADDCHHH-UHFFFAOYSA-N 466.519 4.693 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 16637148 CLVCNCLDROPQSV-UHFFFAOYSA-N 455.323 4.767 5 40 JJBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 101491470 PPCJZFVOOACGCM-WTVOAAGRSA-N 490.941 4.546 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223552620 WVOYAYBDFLCEAE-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224542757 SCMCDXFAVUMZIU-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc3ccccc23)cc1 408565067 BBXQOMLGFFBASJ-VWENNTDVSA-N 479.536 4.987 5 40 JJBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 409151627 IBWJQDZTIFCKHU-PXNMLYILSA-N 463.924 4.645 5 40 JJBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 684383 FZRSZOQCGCFSOB-LJQANCHMSA-N 457.899 4.656 5 40 JJBB COc1ccc(CCn2c(C3CCCCC3)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 2215990 ILYMRGCYYMWFGG-UHFFFAOYSA-N 460.530 4.811 5 40 JJBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2246949 WXAYXPXWCCAXFV-UHFFFAOYSA-N 469.545 4.824 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 10211527 CNSLMDDVQBQBLY-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13811588 DICDTGNVYWHHSF-TUGCOKMYSA-N 489.528 4.553 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)c1 14155407 WULCDQNXQPAHTJ-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1Cc1ccccc1 102743324 QFBRVYRJRGJSGC-BHIFYINESA-N 498.322 4.948 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223986919 JOZJHZXSZYEJLJ-LOSJGSFVSA-N 498.568 4.916 5 40 JJBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408654511 QRYDJLUHXSTKFL-IBGZPJMESA-N 491.887 4.563 5 40 JJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408683543 LNWCSNXDMKNCPP-HUUCEWRRSA-N 476.316 4.634 5 40 JJBB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 8765709 KCWWLPUOOGXUOJ-UHFFFAOYSA-N 473.290 4.934 5 40 JJBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc2ccccc2[nH]1 9715365 FKQLCEHFELOBAJ-FQEVSTJZSA-N 453.568 4.686 5 40 JJBB CCOc1ccc(N2C(=O)C(=O)N(Cc3nc4ccccc4c4ccccc34)C2=O)cc1OCC 9768109 GIUNVFQPYSWZGR-UHFFFAOYSA-N 469.497 4.681 5 40 JJBB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cc(Cl)ccc3oc2c1 13577007 SYSVBZCTLOHKPO-CYBMUJFWSA-N 467.861 4.526 5 40 JJBB CCOc1cc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2OC(=O)c3ccccc32)ccc1OC 984553 HJDFEEYYRRDUFE-PKTZIBPZSA-N 463.442 4.812 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3256821 KLRFGKMFZPANTC-CRRKTRLDSA-N 470.478 4.915 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)c(C)c1 8994634 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CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13591596 AMHOVAYGVMIYSQ-LJQANCHMSA-N 475.497 4.693 5 40 JJBB CC1(C)C[C@]2(C)C[C@@](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)[C@]13O[C@@]1(CC(C)(C)CC3=O)C2 103750286 SBUQBCVVCLTAGI-ROHNOIKCSA-N 486.521 4.916 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223482029 ZNHSWNBXQMAYGM-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccccc1 409009731 HSLBDWGWSNSFEM-BOPFTXTBSA-N 454.236 4.715 5 40 JJBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 9008909 KMDKBKFJBUMUOR-PZYJALBSSA-N 456.498 4.600 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cccs1 9138766 XJLAJCDWUURSEB-QGZVFWFLSA-N 461.293 4.956 5 40 JJBB COc1cc([N+](=O)[O-])c(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1OC 12418092 PKULMVCMVYVDSK-UHFFFAOYSA-N 479.514 4.612 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(O)N(c3ccccc3C)C2=O)[C@H]1CCC 16975259 BNPAIHBRPUINEB-GJZUVCINSA-N 478.549 4.708 5 40 JJBB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 24522213 FJWQWDDRJJWRKI-UHFFFAOYSA-N 450.394 4.699 5 40 JJBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 211579001 HRAWYDZHBMPJGA-AATRIKPKSA-N 458.062 4.946 5 40 JJBB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224821571 VIWBGAZSMLCVDL-GOSISDBHSA-N 461.584 4.507 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225190682 SDXNUGALDRETHE-JOCHJYFZSA-N 455.530 4.533 5 40 JJBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2253913 BCEOIOYQEZCOHI-KRWDZBQOSA-N 490.361 4.534 5 40 JJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1C(=O)NC1CC1 8760843 FWAQBLPKJXCVMD-UHFFFAOYSA-N 467.554 4.659 5 40 JJBB CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN21 13689751 RKCPGGHAUZDUES-IYWMVGAKSA-N 456.340 4.566 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 14411772 VPXRXRDXKZVREM-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1 16728987 YBVOWDSJDJQPGI-LPYMAVHISA-N 488.525 4.569 5 40 JJBB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 35351683 WUZZRINDAXLSIP-NSHDSACASA-N 466.350 4.813 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc12 102711916 CFLOBRJPPPOLTK-GVAUOCQISA-N 465.465 4.799 5 40 JJBB Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C 223408065 HSJOSDREIKFGLT-FQEVSTJZSA-N 481.574 4.593 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccccc1 408749004 DKQQKSUAAVQKGS-UHFFFAOYSA-N 475.507 4.980 5 40 JJBB CCCOc1c(I)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408613718 ZQDXOUSXMNSAIH-UHFFFAOYSA-N 456.280 4.999 5 40 JJBB Cc1ccc(NC(=O)COC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 408661665 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CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2218112 NLNCQQRUUIBSAF-UHFFFAOYSA-N 455.518 4.652 5 40 JJBB COc1ccc(CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CC[C@@H](C)C5)cc1 9307683 MREZNRWJFKNZBM-GFCCVEGCSA-N 450.593 4.721 5 40 JJBB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 14717230 VDWZDDYZVZZNFO-UHFFFAOYSA-N 479.489 4.662 5 40 JJBB O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14893422 QBGXMOYSRUCTLP-UHFFFAOYSA-N 473.558 4.531 5 40 JJBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224849502 MNQZOXDHIDJLCD-RUZDIDTESA-N 493.991 4.955 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225529088 VPOBLCZBPFDXRQ-AUSIDOKSSA-N 471.623 4.859 5 40 JJBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 408648274 WUHCFDMLLMOWHY-UHFFFAOYSA-N 471.469 4.923 5 40 JJBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409327435 TXRGJEBLIXYOIB-DJWKRKHSSA-N 494.338 4.694 5 40 JJBB CC[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccccc1)N(C)C 2626308 CXHNVWCFKNDAOJ-QGZVFWFLSA-N 474.974 4.572 5 40 JJBB Cc1nn(Cc2c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc2C)c(C)c1[N+](=O)[O-] 13961360 LPFIPWYOYNZKDN-UHFFFAOYSA-N 457.796 4.677 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101121627 XHJPICMRXHBYBX-NJYVYQBISA-N 484.295 4.953 5 40 JJBB COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 408568622 ICXOUHHMBPYPNK-GOSISDBHSA-N 463.357 4.765 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408680466 GHOONJYGIIHUAT-DUXSXAKTSA-N 488.327 4.656 5 40 JJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408683537 LNWCSNXDMKNCPP-GASCZTMLSA-N 476.316 4.634 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408688346 WAXSAJUNHQVCEJ-BVGQSLNGSA-N 490.343 4.880 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 4109822 JONIRKXZWCRDGR-UHFFFAOYSA-N 482.484 4.739 5 40 JJBB COc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@](O)(C(F)(F)F)C2)cc1 8711543 OHFMTZWLNYITRI-LJQANCHMSA-N 464.425 4.592 5 40 JJBB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n2c4ccccc4nc32)CC1 9434293 BNGMXSFLNFZSFD-UHFFFAOYSA-N 469.570 4.669 5 40 JJBB CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 9600091 KSOSJVLGBJHJHT-UHFFFAOYSA-N 471.564 4.772 5 40 JJBB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060402 RFPOWBXUAVXHSC-FCHUYYIVSA-N 455.474 4.576 5 40 JJBB O=C1N[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)S/C1=C\c1ccc([N+](=O)[O-])cc1 14904553 UGBYMRIZRXQTGC-VYGFSGDLSA-N 470.510 4.654 5 40 JJBB COc1ccc2c(c1)c(C(=O)CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)n2Cc1ccccc1 36186916 FRPBPRMWLAUPRK-UHFFFAOYSA-N 498.583 4.920 5 40 JJBB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)c2)c1C(F)(F)F 62588297 FIWBVXIFQYXEKZ-UHFFFAOYSA-N 492.410 4.627 5 40 JJBB O=C(NCCc1nc2c(s1)CCCC2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 62595226 ASBLQMBSDSONSN-UHFFFAOYSA-N 482.528 4.524 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc([N+](=O)[O-])ccc21 108850975 NNGCHWCWXIIXCX-DFEOGRTESA-N 480.590 4.975 5 40 JJBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223563710 CLSIITXIHOLXHI-QFIPXVFZSA-N 457.596 4.552 5 40 JJBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408677431 BWLDTWRFQSZBGJ-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Sc4nnnn4C)c([N+](=O)[O-])c3)ccc21 2650795 XZAGPEHOLONVQS-UHFFFAOYSA-N 473.518 4.650 5 40 JJBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224823097 OWLLETOGPOXOJR-SANMLTNESA-N 473.573 4.610 5 40 JJBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC 408570298 KUXZTWMXAKFUPD-SFHVURJKSA-N 493.383 4.774 5 40 JJBB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 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487.622 4.559 5 40 JJBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 224578569 ZYLSVSMLNBVQHW-DNQXCXABSA-N 471.542 4.966 5 40 JJBB O=c1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[nH]c2scc(-c3ccccc3)c12 3327570 PCQWONUZFIJWDU-UHFFFAOYSA-N 453.501 4.719 5 40 JJBB O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8626615 UIJBKHKZSRTZNI-UHFFFAOYSA-N 459.877 4.708 5 40 JJBB Nc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316809 AZXPEBGRZSZDPB-UHFFFAOYSA-N 479.290 4.676 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 16384217 JSDMXTILGGLMGE-DUXPYHPUSA-N 474.709 4.780 5 40 JJBB O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 20766532 NXUSBTQJXHKXGB-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB CC(C)C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429772 LPVCUQVAVQAWSP-XMMPIXPASA-N 481.574 4.694 5 40 JJBB CCCCc1nnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 22742752 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O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccccc1 408750510 ODLXZCOJKQWMOE-UHFFFAOYSA-N 490.522 4.736 5 40 JJBB CN(C)c1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 409000351 YQUKBLRGLRQBJD-UHFFFAOYSA-N 481.464 4.980 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409216779 OKPCWFRIINBDQA-MOSHPQCFSA-N 470.503 4.553 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 12843036 PEGXMFLQAZWRCT-ONNFQVAWSA-N 496.976 4.924 5 40 JJBB Cc1ccc(C(=O)C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408688669 WMSZBRPGRMGAGC-HSZRJFAPSA-N 451.500 4.510 5 40 JJBB O=c1cc(CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c2ccccc2[nH]1 876244 DSOMRDMKUDXCAQ-UHFFFAOYSA-N 485.525 4.888 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc([N+](=O)[O-])c1 9282940 OIVHHXBYLHDQLD-UHFFFAOYSA-N 465.409 4.667 5 40 JJBB CCNc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1[N+](=O)[O-] 9636244 PQOBYZHOSWOPHS-HSZRJFAPSA-N 461.474 4.766 5 40 JJBB Cc1nn(Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)c(C)c1[N+](=O)[O-] 19683594 MMDHUJIIGRHMDS-UHFFFAOYSA-N 480.575 4.853 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 21123975 ZFNRBCMMJAGWPS-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225573067 DINVYCOXIWUKHI-RUZDIDTESA-N 491.613 4.523 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC 14274828 BJFSPSUEAFHQAE-UHFFFAOYSA-N 490.335 4.655 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 16637135 YANNLBJIFMONCX-UHFFFAOYSA-N 455.323 4.767 5 40 JJBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 32894814 GZXVHQDTUOJPAT-ZDUSSCGKSA-N 455.458 4.581 5 40 JJBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1c1cc([N+](=O)[O-])ccc1O 95470958 YNPLATXTQCFETQ-UHFFFAOYSA-N 471.381 4.955 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224614110 KTWCBYQYVOWVOS-DHIUTWEWSA-N 457.515 4.663 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247332258 PIHWZSSHCMEQBB-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB O=C(Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 8900850 BMSFXTKCBPBWLF-UHFFFAOYSA-N 480.908 4.589 5 40 JJBB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12569659 OBQFXAJDMGTGBX-UHFFFAOYSA-N 494.356 4.675 5 40 JJBB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12886378 KTTRRJIWIFGLLU-GFCCVEGCSA-N 471.832 4.849 5 40 JJBB CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 16598708 QTHDZXZAXRRCAW-UHFFFAOYSA-N 498.561 4.503 5 40 JJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1OC 19358212 DBGARNXJEBCORF-MRXNPFEDSA-N 463.490 4.745 5 40 JJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 22710431 GLDXYKKSWOIMRU-UHFFFAOYSA-N 474.521 4.501 5 40 JJBB CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101175927 OFCILHBPDUWKEH-ZRBLBEILSA-N 477.904 4.862 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccccc1Br 409334142 UMMVQMIQCCNKGC-NVNXTCNLSA-N 496.726 4.686 5 40 JJBB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2094331 YJBXMXYLVLSDFT-MZNJEOGPSA-N 479.554 4.553 5 40 JJBB biogenic CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 3426712 RYKLFSGESSYUKF-QFIPXVFZSA-N 465.937 4.908 5 40 JJBB CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(=O)OC)c2C)cc1 6601201 XXERNDDIADDWKX-UHFFFAOYSA-N 483.502 4.655 5 40 JJBB Cc1ccc(-c2nn([C@H]3CN(C)CCN3c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1C 8892105 PMZKWCILKCTREQ-VWLOTQADSA-N 469.545 4.539 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC 9510506 QFGSOVFGTYDQQW-HOFKKMOUSA-N 492.576 4.812 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060441 LTMYNOCFVHSBAD-GOTSBHOMSA-N 469.501 4.885 5 40 JJBB O=[N+]([O-])c1cc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1Cl 33376796 DKXFJIRKNBGMSL-UHFFFAOYSA-N 480.299 4.834 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224980104 KNUWWCSHTSSUMK-FQEVSTJZSA-N 483.634 4.737 5 40 JJBB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1099236 LYPOHEKOLBVSAJ-UHFFFAOYSA-N 457.822 4.650 5 40 JJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2400791 AIMFHTAUDLNUMJ-INIZCTEOSA-N 457.534 4.525 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 9288175 AWEMUSNXCYCNEW-NJDAHSKKSA-N 483.402 4.665 5 40 JJBB O=c1/c(=C\c2ccc(Cl)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 59678126 IUJCDWBMZFPPKN-AQIZGWBQSA-N 499.979 4.880 5 40 JJBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2C1=O 409179653 TZEHPSGBTRIARX-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12622477 IQHNRBVXNABJJS-UHFFFAOYSA-N 454.376 4.746 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 13539974 IQEGCBKLGKPGQO-DUOVIKOCSA-N 489.528 4.553 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 16045978 VHEBGGHBYRZJDH-INIZCTEOSA-N 475.530 4.970 5 40 JJBB Cc1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c([N+](=O)[O-])n1 25784483 MGZUOUVNEQWNTP-UHFFFAOYSA-N 463.519 4.594 5 40 JJBB O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1nc(C2CCCCC2)n[nH]1 40399028 RBBMSHKUCHKCRY-UHFFFAOYSA-N 458.566 4.762 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 101205769 XFPFRSWGFYOUEZ-FKBYEOEOSA-N 463.877 4.608 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc2cc([N+](=O)[O-])ccc21 103112856 NNGCHWCWXIIXCX-MTNOOBJLSA-N 480.590 4.975 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223475147 PVRZUSYXVIJNFV-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223987090 XXGAJSAFDJCEEI-RPBOFIJWSA-N 498.568 4.916 5 40 JJBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccc(I)c1 3035264 DZXGYSYMZZPQOG-UHFFFAOYSA-N 486.221 4.792 5 40 JJBB Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])n1 3362739 YOXCPGYSHXIVEN-UHFFFAOYSA-N 483.449 4.724 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 3437254 MOEUWNPYLFGKNT-UHFFFAOYSA-N 452.536 4.849 5 40 JJBB Cc1ccc2cccc(OC(=O)c3ccc(OS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)c2n1 12599611 KIJIKXHEVMPWNT-UHFFFAOYSA-N 478.482 4.747 5 40 JJBB CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(Cc1ccc(OC)cc1)n2C(=O)CC 16777872 WOFWDFLHAWMDLV-UHFFFAOYSA-N 493.545 4.651 5 40 JJBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 21576568 SFGYSTOCQAIZNT-UHFFFAOYSA-N 499.999 4.549 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38771226 NFNHSFWOADIHJR-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223482105 ZNHSWNBXQMAYGM-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 409159344 ZLIZPGYOSLBHGB-UDWIEESQSA-N 479.470 4.538 5 40 JJBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409315614 NVHBCZXAMGOOGM-HKOYGPOVSA-N 479.558 4.805 5 40 JJBB O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl 2080148 CQUNMROLUJQCJW-UHFFFAOYSA-N 476.232 4.709 5 40 JJBB O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 9261823 BECLWPBNBSNLAD-UHFFFAOYSA-N 483.274 4.649 5 40 JJBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1c(Cl)cccc1C(F)(F)F 9579617 AVQWJQAIERIJNM-UHFFFAOYSA-N 471.819 4.663 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 9714891 YIRCICDNORTZQD-UHFFFAOYSA-N 480.527 4.771 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1n[nH]c2ccccc12 12532387 MEJPXJGKWDIGPJ-FQEVSTJZSA-N 495.289 4.770 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 21005713 HFJYRQKRWHYYMJ-XMMPIXPASA-N 470.485 4.942 5 40 JJBB COc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 24885537 WPOYDWSIFFAMCA-UHFFFAOYSA-N 491.909 4.673 5 40 JJBB CCc1nc2ccc(C(=O)N(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)C(C)C)cc2nc1CC 3330221 XAOUMSJFXQDGPS-UHFFFAOYSA-N 474.521 4.764 5 40 JJBB CCc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 9508079 JXQJUCBEJXBRCD-INIZCTEOSA-N 474.546 4.919 5 40 JJBB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10337902 JQFIAUIBHHAZGH-UHFFFAOYSA-N 477.901 4.606 5 40 JJBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 14271122 QKTZVMZSHWAVGF-UHFFFAOYSA-N 469.611 4.867 5 40 JJBB COc1cc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 15833810 OMZKGHROFIBISV-CQSZACIVSA-N 454.483 4.574 5 40 JJBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22716595 MXUAMJMPKHLHHW-UHFFFAOYSA-N 479.880 4.540 5 40 JJBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224392938 CVTRDCJKRBVHND-VWLOTQADSA-N 491.563 4.831 5 40 JJBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 408655021 CJFMYHCTPBHCMH-UHFFFAOYSA-N 477.473 4.678 5 40 JJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1C 409351703 AFCWMRYAYUVCGE-MFOYZWKCSA-N 490.335 4.649 5 40 JJBB CC(=O)Oc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1OC(C)=O 2108997 QIMNASQYWLXINJ-UHFFFAOYSA-N 456.406 4.570 5 40 JJBB biogenic COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccc(Br)o1)CC2 3192896 ONTGUYFZCPJYDJ-NRFANRHFSA-N 487.306 4.755 5 40 JJBB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9987650 NWZAWFLQEKFRNB-SNVBAGLBSA-N 452.323 4.816 5 40 JJBB O=C(OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 33704235 WCXXQRNMLPSGFV-CSZKYDFKSA-N 475.457 4.761 5 40 JJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 44088215 RURAXWNPOKJFRO-UHFFFAOYSA-N 474.489 4.763 5 40 JJBB Cc1cc(F)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408736753 GXRRNJXZDFKNGQ-JOCHJYFZSA-N 451.454 4.519 5 40 JJBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 409318388 VEVKLXQAFOZBIL-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 9539577 BHOCZQHQDDOWST-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13058745 SMBVYXDZWVBPOV-FUCXHRTASA-N 451.566 4.507 5 40 JJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 13871354 PQYKIABQSUAQBD-ZDUSSCGKSA-N 475.958 4.810 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223987152 XXGAJSAFDJCEEI-LOSJGSFVSA-N 498.568 4.916 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408642904 PRIIUXXOFDHLDE-KRWDZBQOSA-N 461.474 4.696 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc([N+](=O)[O-])c1 408921947 MAJVFHSMGLZGSM-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@@H](C(C)(C)C)C2 845101 YZLNDKDVMKQKLR-GFCCVEGCSA-N 482.990 4.781 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 8827420 KDLFLTWZTTVLGT-KRWDZBQOSA-N 498.314 4.978 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 8926585 XHCLYVZNHCCGJL-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 14270732 SYOCKRPKNGMTIV-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)cc1F 108917698 LGXFATSUJHVIQH-VXLYETTFSA-N 485.424 4.808 5 40 JJBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)o2)cc([N+](=O)[O-])c1C 409349417 QWEFSKOTLCDCMO-CIAFOILYSA-N 483.546 4.766 5 40 JJBB COc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)cc1[N+](=O)[O-] 8835495 RIEQOFBAJOMFFM-UHFFFAOYSA-N 490.335 4.655 5 40 JJBB O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2685941 CGTYTXQWWXYVGZ-OAQYLSRUSA-N 457.820 4.710 5 40 JJBB O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(Cc2ccccc2)CC1 2959552 OHFZTKPLOLQGQN-UHFFFAOYSA-N 453.571 4.656 5 40 JJBB O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)NCc1ccc2c(c1)OCO2 9119682 RBBWPZVYTCQFGR-UHFFFAOYSA-N 488.525 4.585 5 40 JJBB CCOc1cc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OCC)c1OCC 9274817 WJTXDRVOSROIQN-UHFFFAOYSA-N 476.873 4.747 5 40 JJBB CC(C)(C)NS(=O)(=O)c1ccc(SCCOc2ccc(Br)cc2)c([N+](=O)[O-])c1 12541680 NACVDMZKKMCMFH-UHFFFAOYSA-N 489.413 4.605 5 40 JJBB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(C)c(C)cc4[N+](=O)[O-])c(=O)c23)s1 12776109 VYHNDICWYBUXCQ-UHFFFAOYSA-N 454.533 4.659 5 40 JJBB CCOCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(Br)ccc21 100873391 CXZCHPZGYDHEOF-TZEZGEGSSA-N 476.352 4.551 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223870469 QOIPXDWESCUUKX-DHIUTWEWSA-N 457.515 4.663 5 40 JJBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409091329 SRAQBCFCUXASCN-UHFFFAOYSA-N 469.368 4.534 5 40 JJBB Cc1cccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 409389099 OQNNZBITPYBRBQ-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1 409407816 ADYSZOMJHTUGHH-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB CCCOc1c(Cl)cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC 9128021 FWXJWWNXADSQTR-UHFFFAOYSA-N 461.858 4.843 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 57317123 XRHYJVWGQCIQDI-UHFFFAOYSA-N 493.608 4.532 5 40 JJBB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102752072 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Cc1nn(CCCC(=O)Nc2cc(Oc3ccc(F)cc3F)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 12845956 SSKSUVSDLMLMAG-UHFFFAOYSA-N 475.408 4.806 5 40 JJBB O=C(NCCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 20436432 AYAFOSVYVAWGNJ-UHFFFAOYSA-N 483.308 4.530 5 40 JJBB CN(C)c1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408993062 BSVBGNVHSRCFRU-UHFFFAOYSA-N 481.464 4.980 5 40 JJBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc(C)c1-c1ccc(C)cc1 3332927 JGCYKLJCDICILG-UHFFFAOYSA-N 456.524 4.569 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br 6878344 KAFFFVGZQFDHDI-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB COc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 8590678 WBKQPFVMKLFFMB-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064668 PBJMXWANILKQJO-UHFFFAOYSA-N 455.584 4.558 5 40 JJBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2n1 13149672 GXDLZGJTQSYSTD-UHFFFAOYSA-N 498.706 4.972 5 40 JJBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1-c1ccc(CO)o1 20142806 GERGXNCVKAYCDL-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 101231775 JUJYJBMCGMULIJ-VSKRKVRLSA-N 463.877 4.608 5 40 JJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1 409000893 NPYKKQPDVFZYDH-UHFFFAOYSA-N 482.404 4.612 5 40 JJBB CC(C)c1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 409028697 QKTPERVADSQTFH-UHFFFAOYSA-N 453.520 4.552 5 40 JJBB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 409164287 GCJYHEZYFBKZMR-UHFFFAOYSA-N 480.575 4.861 5 40 JJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6142348 VFBZPUOCQOZLIC-UHFFFAOYSA-N 481.530 4.589 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 32124979 LDZDJEBKBITGNR-IUXPMGMMSA-N 468.915 4.708 5 40 JJBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1OC 8836476 DISSYOZINJJTRF-UHFFFAOYSA-N 455.474 4.815 5 40 JJBB C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)C(=O)Nc1ccccc1[N+](=O)[O-] 9140231 PYRLDMYEALCFBM-CYBMUJFWSA-N 496.570 4.616 5 40 JJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 9805685 OCXUQOIAJSLJNP-UHFFFAOYSA-N 461.459 4.726 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O 224855643 PTOSMHRDKLHMIM-UHFFFAOYSA-N 475.611 4.814 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 408618769 GKMMGXOSOSDGIG-UHFFFAOYSA-N 470.263 4.558 5 40 JJBB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 408674617 AQNWMSHPGVVXDJ-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409358333 DVIJCUFIWMYGIF-UHFFFAOYSA-N 471.608 4.987 5 40 JJBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(C)cc(C)c1 409387628 CSVHZUCXCPRVQR-UHFFFAOYSA-N 497.573 4.671 5 40 JJBB Cc1cc2oc(=O)cc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2cc1Cl 10722755 KIPGWRYZCIAOQF-UHFFFAOYSA-N 459.885 4.966 5 40 JJBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 16321492 SRBNRKWCKSTATG-UHFFFAOYSA-N 481.515 4.550 5 40 JJBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408685352 PDXVXXHNDDJVKM-HOTGVXAUSA-N 476.316 4.634 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-] 409347553 QCJJGSASNRZBOZ-SRZZPIQSSA-N 493.453 4.991 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C 409349929 VGVJPZZJEHJINY-CIAFOILYSA-N 470.503 4.700 5 40 JJBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 9335255 IUTRFORXVAKGFC-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13129462 ZIYDOIBKDOKCEW-LJQANCHMSA-N 478.980 4.982 5 40 JJBB CNC1=C(OC)[C@]2(C)O[C@H](C1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C]4O 1560406739 RNRKEEKSBBXIPY-WRHNGFHOSA-N 479.516 4.538 5 40 JJBB Cc1c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] 2685911 DUDYELDRGCZDMA-JOCHJYFZSA-N 498.308 4.989 5 40 JJBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Br)cc1 8722462 BJPYCJXDKODPJA-YBFXNURJSA-N 495.289 4.638 5 40 JJBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 14270837 AWZTVTCRXVLSDY-UHFFFAOYSA-N 469.592 4.938 5 40 JJBB CCOc1ccc(-c2nc(NC(=O)CC)c3c(=O)oc4ccc(Br)cc4c3n2)cc1 20572741 CIBFXIJCGRWBIL-UHFFFAOYSA-N 468.307 4.913 5 40 JJBB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 26780002 OBUUISHQKPBILX-UHFFFAOYSA-N 476.898 4.702 5 40 JJBB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409231684 FLTMDDBIQAUQJG-LICLKQGHSA-N 450.278 4.783 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 12604447 FPUHDAXTXNJWTR-UHFFFAOYSA-N 460.368 4.548 5 40 JJBB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13083094 BQHOSJRJHPDZGJ-UHFFFAOYSA-N 464.522 4.761 5 40 JJBB O=C(Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409262616 JDBUQQVUEUUJHU-UHFFFAOYSA-N 492.469 4.978 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 409368613 DZEVVJMLWOUDRR-RFZJPIJTSA-N 465.303 4.752 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)o1 9056675 VBIDDTUMKLJTJB-LLVKDONJSA-N 463.313 4.835 5 40 JJBB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)cc1 12816233 PHWKYZOBFCRVQV-UHFFFAOYSA-N 452.467 4.510 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 30757538 LCESBOLFRYAJAI-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225519543 SRVCBDYTMLGKRZ-LOSJGSFVSA-N 499.552 4.861 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409182246 JMGVGSIIGHPZOG-UHFFFAOYSA-N 451.287 4.987 5 40 JJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1066915 HMGHRXAOHHKGEE-UHFFFAOYSA-N 456.241 4.955 5 40 JJBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCC1=CCCCC1 3432966 BBMZGRAIBGXRHH-UHFFFAOYSA-N 470.909 4.643 5 40 JJBB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8900307 RJURLJTVSNXJEE-UHFFFAOYSA-N 486.532 4.888 5 40 JJBB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2C(C)C)cc1 9987857 PPXBWYIMGHXMSE-CQSZACIVSA-N 471.539 4.571 5 40 JJBB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 15979306 DWNHEDDGPQBGCU-UHFFFAOYSA-N 463.519 4.953 5 40 JJBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20611608 FDIGAODXLNRVTM-UHFFFAOYSA-N 472.295 4.706 5 40 JJBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 32957517 BLRZEIZTRZMFIK-UHFFFAOYSA-N 497.473 4.554 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1 214673601 RHMIOEQSBIWDJG-HYARGMPZSA-N 489.509 4.849 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1Cl 409174974 WWYOWYNQCNBCGV-UHFFFAOYSA-N 459.911 4.539 5 40 JJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1I 409177621 BBKSEQHOWNSUPZ-FQEVSTJZSA-N 487.249 4.980 5 40 JJBB CC(=O)Nc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc(=O)oc2c1 12635243 MNXLMYDCLRVBTA-UHFFFAOYSA-N 487.468 4.629 5 40 JJBB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 12648232 LMZHNDHRXYMQFY-UHFFFAOYSA-N 479.587 4.812 5 40 JJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 32125236 ZYDUXOFXVLDGCW-ACCUITESSA-N 490.947 4.863 5 40 JJBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1ccc(Cl)cc1 62587499 OYZNKIRJSXHHAD-UHFFFAOYSA-N 473.945 4.689 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 409181881 GKCIOEIGHZPUAM-KPKJPENVSA-N 457.895 4.701 5 40 JJBB O=C(Nc1ccc(Br)cc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 851248 IEEZCVQDOYEXKL-SFQUDFHCSA-N 472.320 4.828 5 40 JJBB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCc4cc([N+](=O)[O-])cc5c4OCOC5)sc32)cc1 3450927 QGJLGKZWJXKTDP-UHFFFAOYSA-N 479.514 4.895 5 40 JJBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2C)cc1 8746083 YZZRTDOMISVQOT-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(NC[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8762817 CSXIPRMXWPTRKN-KAYWLYCHSA-N 486.572 4.879 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 15270992 VRQAYDIMRHFWAD-UHFFFAOYSA-N 483.546 4.561 5 40 JJBB CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1NCCc2cc(OC)c(OC)cc21 252506414 SSQAXSNCMRBPGJ-DETLYOQDSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409199328 BZRVSLJFWURFPS-DKNZLLBESA-N 470.503 4.552 5 40 JJBB Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 3014141 GWPBYDPNMWYYGH-UHFFFAOYSA-N 484.306 4.936 5 40 JJBB O=C(OC(c1ccccc1)c1ccccc1)[C@H]1CSCN1C(=O)OCc1ccccc1[N+](=O)[O-] 5518406 SWCOOTSCHYEYKI-JOCHJYFZSA-N 478.526 4.939 5 40 JJBB CC(=O)c1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 6148285 FOWXIVVABFVABL-UHFFFAOYSA-N 454.402 4.655 5 40 JJBB O=C(CCCNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9129302 QQWFERMAPVUWNH-UHFFFAOYSA-N 481.888 4.917 5 40 JJBB O=C(Oc1ccccc1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 13138159 OHQWLPXJPOFGMX-UHFFFAOYSA-N 484.555 4.750 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC 14274833 SHTJZKHWFNEOPL-UHFFFAOYSA-N 490.335 4.655 5 40 JJBB COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1 100971968 JVDKEMULXKCWNZ-INMHGKMJSA-N 485.568 4.518 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224568103 XENYUHKPAJJHJF-XMMPIXPASA-N 499.633 4.703 5 40 JJBB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)c2)c(C)c1 408647800 XMOZCEMKUNHLTA-FQEVSTJZSA-N 486.528 4.764 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)cc1 853514 VXTNTWYJIYNNFX-UHFFFAOYSA-N 465.959 4.519 5 40 JJBB O=C(NC[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8763318 CSXIPRMXWPTRKN-RRPNLBNLSA-N 486.572 4.879 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 18046411 ZZGDUMSFNPCPEV-SVFBPWRDSA-N 484.295 4.953 5 40 JJBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCC)CC1 103627768 UTFFATZFVMFBKB-JVCXMKTPSA-N 492.620 4.660 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 103978769 IFNNTLRWUOBOLE-MSNJVRRCSA-N 499.910 4.521 5 40 JJBB O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 1747088 VOAMRUDQMVZNSA-UHFFFAOYSA-N 467.865 4.564 5 40 JJBB Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 3078074 BJKOOGKZGYRDRZ-UHFFFAOYSA-N 468.354 4.559 5 40 JJBB CN(C)c1cccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 9444005 XGODWUKPNJLDKF-OAQYLSRUSA-N 453.882 4.851 5 40 JJBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12649562 UJPYXFDNESHCSZ-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] 14275457 MVUJQVFEEZVAOF-UHFFFAOYSA-N 477.502 4.632 5 40 JJBB O=C(N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Br 19143242 NXAFTARJGQKBMH-CQSZACIVSA-N 468.518 4.862 5 40 JJBB O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 22079388 HXOKXCXRWDLTRB-UHFFFAOYSA-N 460.515 4.789 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408730647 GTESCVPNCPPFFS-JFWNMISASA-N 494.503 4.733 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccccc1Cl 409224900 JCEYPJQQMJYKOM-OVCLIPMQSA-N 452.275 4.577 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(C)cc2)c1C 2072209 VEKYRCPXXRQWCG-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2072210 HUSIIHQKHQDTIX-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1Cn1cc([N+](=O)[O-])cn1 2271451 UJYOUSICZXTTHQ-XMMPIXPASA-N 473.464 4.758 5 40 JJBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 9295858 MIIWNTIRERQLCQ-UUASQNMZSA-N 455.275 4.852 5 40 JJBB CN(C)[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9492187 HNFXULIAWRNTKV-XZOQPEGZSA-N 452.942 4.821 5 40 JJBB CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OCC)c1OCC 14275938 PTQJVPNGSVGQBJ-UHFFFAOYSA-N 481.958 4.880 5 40 JJBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccncc1 215026271 TVLHQGHSIHPDJB-LPYMAVHISA-N 477.498 4.814 5 40 JJBB CC(C)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409110589 WXICOCYENQJHPN-UHFFFAOYSA-N 453.520 4.552 5 40 JJBB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409328407 UNTVURVSQNCHSN-VCHYOVAHSA-N 491.319 4.675 5 40 JJBB COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)c(OC)c1 9129952 UOZQNDDAOBJYPH-UHFFFAOYSA-N 482.493 4.821 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2F)nc2cc([N+](=O)[O-])ccc21 12563814 GCFQKNHYHAJSHU-UHFFFAOYSA-N 470.457 4.951 5 40 JJBB CN(C)c1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 248007524 AXVIKEQTAYLUKG-QEGGNFSNSA-N 484.512 4.557 5 40 JJBB Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 3255893 XQQGWAGTIVVJRD-UHFFFAOYSA-N 474.395 4.856 5 40 JJBB Cc1ccc(OCc2c(C)cc(C)c(COc3ccc(C)nc3[N+](=O)[O-])c2C)c([N+](=O)[O-])n1 13075853 PSBSKQIATSOPHV-UHFFFAOYSA-N 452.467 4.993 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl 15438743 NIMDTADQFIHBMN-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 16637107 OGSRGNFVKNUNLX-UHFFFAOYSA-N 499.774 4.876 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224980142 KNUWWCSHTSSUMK-HXUWFJFHSA-N 483.634 4.737 5 40 JJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409066909 DDBBYLRZAZJCDE-NSMHLIOHSA-N 492.509 4.925 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1C[C@@H]1CCCO1 2254120 ROXSZHWVPRCSEV-INIZCTEOSA-N 466.328 4.769 5 40 JJBB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 9128597 FFVSKTBGKKXVKH-HSZRJFAPSA-N 461.470 4.508 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 12586818 ANMIAWKKVFJPMV-UHFFFAOYSA-N 452.461 4.812 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 15415777 HZLSSPHGUCQOSJ-UHFFFAOYSA-N 477.498 4.810 5 40 JJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 16194518 DJFJZZBWXRTGPH-GORDUTHDSA-N 470.740 4.926 5 40 JJBB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nn32)cc1 101004877 BJOANDBKICRTSZ-USXRGHEGSA-N 494.511 4.903 5 40 JJBB Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 141358872 RRGBDINBGOJPFI-OYKKKHCWSA-N 466.522 4.677 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409101120 VNDQMCAUTWWRBF-RGVLZGJSSA-N 479.876 4.933 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 9242400 TUNNJXYNEOFWRU-DEOSSOPVSA-N 486.480 4.506 5 40 JJBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102755087 VGZLNELXZVIVMT-YPAWHYETSA-N 463.877 4.608 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224113639 CXSSFTUWJKCABF-AREMUKBSSA-N 473.573 4.612 5 40 JJBB COc1ccc(CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CC[C@H](C)C5)cc1 9307682 MREZNRWJFKNZBM-LBPRGKRZSA-N 450.593 4.721 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 14279467 RFTUQDMSFMEYBH-UHFFFAOYSA-N 484.965 4.833 5 40 JJBB COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1OC 16959759 RCJAGFMUVGDVBR-HSZRJFAPSA-N 493.541 4.821 5 40 JJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 408737708 NYFPALYHDISGDG-SANMLTNESA-N 485.584 4.903 5 40 JJBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409183511 URYUARFLJVKCCB-UHFFFAOYSA-N 496.453 4.619 5 40 JJBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2412725 VAFNKTAFMWOTKH-UHFFFAOYSA-N 455.518 4.901 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 9186022 WWORLDKDLUFSME-UHFFFAOYSA-N 497.483 4.860 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224019293 OYJRUUBUJYKQRE-MRXNPFEDSA-N 478.014 4.813 5 40 JJBB CCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O 2434251 OEQCZPCUNOIUHT-UHFFFAOYSA-N 464.518 4.776 5 40 JJBB Cc1ccc(C(=O)N/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N2CCOCC2)cc1 8400338 WGCJDUOFIXZFTH-DIBXZPPDSA-N 450.538 4.931 5 40 JJBB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c([N+](=O)[O-])cc1OC(F)F 12915587 YRXGARGYBDQSHM-UHFFFAOYSA-N 463.418 4.516 5 40 JJBB Cc1cc(C(=O)OCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)ccc1[N+](=O)[O-] 13129402 GWSAVUONSCLRSG-OAQYLSRUSA-N 488.949 4.823 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 16014471 VRXUHVVLISJRMS-UHFFFAOYSA-N 450.539 4.710 5 40 JJBB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)s1 39768369 GGUAOMSOGWMNBK-UHFFFAOYSA-N 465.516 4.988 5 40 JJBB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 409138341 AFVZZGCKPJNVLU-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2363001 FQPPAONNLVIUJC-UHFFFAOYSA-N 475.552 4.788 5 40 JJBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 9030714 KWAPWOVRPOPBTQ-UHFFFAOYSA-N 488.518 4.657 5 40 JJBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9130641 HZIHDCOYBQNAPK-UHFFFAOYSA-N 481.505 4.741 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 9185582 MNXKREDWCRGYCZ-UBFVSLLYSA-N 481.464 4.906 5 40 JJBB CCCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(CCCC)[C@@H]2CCC)C1=O 9242778 HOFOZMHLVSZYLA-BWKNWUBXSA-N 472.586 4.571 5 40 JJBB Cc1cccc(C)c1NC(=O)CCCSc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 9244599 MGJUPNAHMSQCMK-UHFFFAOYSA-N 479.624 4.799 5 40 JJBB COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1OC 9468151 MLEGIBAWVSGBLS-UHFFFAOYSA-N 457.508 4.773 5 40 JJBB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 9508120 VVOJEGCSDCTITR-INIZCTEOSA-N 490.541 4.653 5 40 JJBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 34759401 XMQDHARNAOZDGK-UHFFFAOYSA-N 452.492 4.720 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 138753150 GERCOACNCQBUDN-JOTOCRJQSA-N 488.327 4.656 5 40 JJBB O=C(COc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1 408554920 FDYOHNZQSFRHOB-UHFFFAOYSA-N 456.296 4.987 5 40 JJBB CC(C)c1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409171350 ZNPBRFCFOXYHFE-OAQYLSRUSA-N 496.593 4.694 5 40 JJBB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409241934 ZKLNENDAYDIIGK-LICLKQGHSA-N 450.278 4.783 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] 786812 QBTUHWFINQJNOU-UHFFFAOYSA-N 492.536 4.966 5 40 JJBB COC(=O)c1cccc(NC(=S)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4[N+](=O)[O-])c3C)C2)c1 8624203 NAEXNCSPJNCAGW-YLJYHZDGSA-N 491.573 4.583 5 40 JJBB biogenic,in-vitro COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792268 YGFLOUZTPCPXBJ-QGZVFWFLSA-N 477.520 4.684 5 40 JJBB biogenic CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 8836048 RMUSKTOLBCVVIJ-UHFFFAOYSA-N 455.562 4.640 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9109203 XRYDYBKKKRWOKG-IWVFXYMLSA-N 491.503 4.968 5 40 JJBB COc1ccc([C@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)N(C)C)cc1 9685047 NICVPYGATRFFPB-NRFANRHFSA-N 473.602 4.798 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 17952775 RKRXFPUFHNLTPZ-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222941536 SGIXRISRAPUCNV-YADHBBJMSA-N 452.536 4.887 5 40 JJBB O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccccc1 408556515 JEKZOWZWXHOBEG-UHFFFAOYSA-N 456.296 4.987 5 40 JJBB COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12659868 JRNWZFJMIJUGAX-UHFFFAOYSA-N 485.909 4.744 5 40 JJBB Cc1ccc(-n2nnnc2S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(C)c1 13134168 MLGSJZLIYORAEH-JOCHJYFZSA-N 474.546 4.968 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16039437 RCLIYRAWEGKYHJ-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCc1cc([N+](=O)[O-])cc2c1OCOC2 102264603 WSXKAKCEWADYQI-RKOMNEFPSA-N 466.328 4.629 5 40 JJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223773094 UMOBUZCVXAJGQZ-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408565960 DKRYPRDOXWYZNV-GOSISDBHSA-N 493.383 4.856 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408922981 DELXLIGPTUNQQL-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3OC)o2)c([N+](=O)[O-])c1 20140682 KLZHXPQVMIBSTG-UHFFFAOYSA-N 464.430 4.877 5 40 JJBB O=c1[nH]c(O)nc(/C=C/c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c1[N+](=O)[O-] 35145776 YSJXAAUIODRDIU-VQHVLOKHSA-N 484.299 4.773 5 40 JJBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-] 408642676 PJNIUYFAPOVPSZ-LBPRGKRZSA-N 466.719 4.619 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408682492 JHPRRCUINVBKMU-OALUTQOASA-N 488.327 4.800 5 40 JJBB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2094328 YJBXMXYLVLSDFT-OSPHWJPCSA-N 479.554 4.553 5 40 JJBB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O 2399719 IVPIOAAJZGYLQR-FQEVSTJZSA-N 476.514 4.809 5 40 JJBB CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Oc2ccc(Cl)cc2)cc1 3097060 CYQKBKRHOQOJON-UHFFFAOYSA-N 465.849 4.647 5 40 JJBB COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 9540101 JMKGQLROMAQDLU-AWNIVKPZSA-N 487.921 4.710 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])CC2 12853925 DIOGFBSKAARZGA-DEOSSOPVSA-N 467.547 4.568 5 40 JJBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2c1 14270260 LYPASOQPCPDBMH-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223333277 UENAUWWMDOKTGE-OAHLLOKOSA-N 466.365 4.778 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224368502 LXPRILUAMJGEIV-HSZRJFAPSA-N 487.597 4.833 5 40 JJBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408567619 GZNVXAKASUCSGX-LJQANCHMSA-N 493.383 4.774 5 40 JJBB Cc1ccc(C(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408689007 XLGGCMWHIOKWJZ-QHCPKHFHSA-N 451.500 4.510 5 40 JJBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3C)n2)cc1 409144730 OTZLRRCMFICTQP-UHFFFAOYSA-N 466.548 4.553 5 40 JJBB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 409146402 SPOJGOCRXOYADE-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB Cc1ccc(C(=O)c2c(NC(=O)COC(=O)c3ccc([N+](=O)[O-])s3)sc3c2CCCC3)cc1 3345809 PTRXIMFRPLGWPZ-UHFFFAOYSA-N 484.555 4.932 5 40 JJBB CCc1cc(I)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832285 DKQUBBXOJCRQFX-UHFFFAOYSA-N 465.291 4.614 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 9062444 FDYAUYULWJZUOR-UHFFFAOYSA-N 459.487 4.926 5 40 JJBB COC(=O)c1ccc([C@@H]2c3c(oc4ccc5ccccc5c4c3=O)C(=O)N2c2cc(C)on2)cc1 9447239 QEBPAJDWHFBMPW-HSZRJFAPSA-N 466.449 4.779 5 40 JJBB Cc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C1CCCCC1 9464963 SBPZHILUJOHZAL-UHFFFAOYSA-N 458.569 4.854 5 40 JJBB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13591100 WEAJHBGFRHFSRH-FQEVSTJZSA-N 475.497 4.961 5 40 JJBB CCOC(=O)c1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 20095928 CKLQCSYGJNVUMP-UHFFFAOYSA-N 472.089 4.549 5 40 JJBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])c1 409180293 WAPQHPAFXLQSAF-AREMUKBSSA-N 476.485 4.798 5 40 JJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2O)C3=O)cc1 409335557 KBPIEDUNDNEPMJ-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB Cc1ccc2nc(NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)OCc3ccccc3)sc2c1 8989881 MLKDHRLAIOOMKW-OAQYLSRUSA-N 490.541 4.989 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N=C(O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC 9009870 NFBWHXRHXJKGAQ-BKMJKUGQSA-N 478.549 4.708 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 9492647 BCRNRKNCKZIUIA-FQEVSTJZSA-N 470.279 4.878 5 40 JJBB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10219054 OJURPMUXEXPZCE-UHFFFAOYSA-N 465.940 4.564 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 12621595 HWZLVDFTDRTLKS-UHFFFAOYSA-N 490.394 4.556 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408681343 HVPFKICCUDRYQX-FRFSOERESA-N 490.343 4.880 5 40 JJBB COC(=O)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408974680 GPVURERPDZDKGS-UHFFFAOYSA-N 459.465 4.918 5 40 JJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 409337242 YXPRNDBTOCJBSV-LJQANCHMSA-N 492.583 4.600 5 40 JJBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 3411814 REYZBXUFYPUFNB-MRVPVSSYSA-N 477.684 4.756 5 40 JJBB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6878528 VHJPFHHVRBIXIN-ZDUSSCGKSA-N 461.931 4.558 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9209967 AEYOZBLUXCDKCR-XMMPIXPASA-N 470.481 4.806 5 40 JJBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9233743 AEJWLXIFZPYKFC-YBFXNURJSA-N 451.416 5.000 5 40 JJBB COc1ccc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)cc1OC 9414174 YOGIPFCLXDMQOO-UHFFFAOYSA-N 461.430 4.863 5 40 JJBB CN(C)[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 12565969 PIDSRHNJSNUDBH-XZOQPEGZSA-N 497.393 4.930 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 13576872 LANUYUGYIILBSZ-BIFSNJIPSA-N 485.418 4.582 5 40 JJBB COc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 17320599 DQOWIZRPIWGKRZ-UHFFFAOYSA-N 456.838 4.708 5 40 JJBB O=C(COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1)Nc1ccc(Cl)cc1 40488345 MEWSQBLBFCWBCJ-UHFFFAOYSA-N 450.838 4.983 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225125046 NEUIGRUYROYXRD-QHCPKHFHSA-N 497.592 4.547 5 40 JJBB CCCc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1615701 QZRUNVBDGPCQOX-UHFFFAOYSA-N 450.403 4.894 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 4786800 TYCRYVUSDDLZGB-QHCPKHFHSA-N 455.474 4.881 5 40 JJBB CC(C)c1nc2sc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc3c2c2c1COC(C)(C)C2 8991375 JLIFRFSWEIHHRL-UHFFFAOYSA-N 464.547 4.937 5 40 JJBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 14271347 KLYBKQICCRPQFY-UHFFFAOYSA-N 467.595 4.558 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@H](COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1 17003213 XPYGEPWGGGENFC-NRFANRHFSA-N 496.432 4.748 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223870257 XDQIFGTVSVDHSN-DHIUTWEWSA-N 457.515 4.663 5 40 JJBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 408561589 KBYWBMIRRMDLPN-XDOYNYLZSA-N 476.352 4.965 5 40 JJBB COc1ccc(Cn2c(-c3cccc(Br)c3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2200340 GKYJVVULJWGXEJ-UHFFFAOYSA-N 489.325 4.989 5 40 JJBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccc2c(c1)OCO2 8935180 WJPPFNNLZOYZNH-UHFFFAOYSA-N 451.391 4.595 5 40 JJBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9030712 MOERNDICCIJWNO-UHFFFAOYSA-N 488.518 4.657 5 40 JJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc1 9764111 CWITZMAXFAZLIB-UHFFFAOYSA-N 474.564 4.502 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 13839006 PDNBSQMPNIOSDX-DHIUTWEWSA-N 455.474 4.576 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 19856712 BQUOVKHARZFWSO-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 32927119 IDNPMXPYIDPHBK-ZDUSSCGKSA-N 494.358 4.692 5 40 JJBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCC 408618878 HOZCFPHCIQSHIX-UHFFFAOYSA-N 470.263 4.558 5 40 JJBB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)CC1 408702194 LICSSAXAAQJHEB-UHFFFAOYSA-N 472.350 4.575 5 40 JJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 409175193 XFLFNJLMVIZOBE-UHFFFAOYSA-N 480.329 4.884 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 12976143 JZQIIDMKYPJYRT-VWLOTQADSA-N 481.936 4.852 5 40 JJBB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424271 JEHTYZRZWNSXGB-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 21124187 NQCVUCCMLSJVTO-UHFFFAOYSA-N 479.364 4.849 5 40 JJBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 224578508 ZYLSVSMLNBVQHW-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 409211520 NZSIDQISHITEJB-RGVLZGJSSA-N 481.461 4.977 5 40 JJBB CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1 2720083 PPYUSDVPBJCIQF-UHFFFAOYSA-N 496.614 4.862 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCC(C)C)cc3c3ccnc2c31 8792259 SYBPUNYWTIVNNK-MRXNPFEDSA-N 487.556 4.539 5 40 JJBB biogenic COc1ccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])c(-n5nc(C)cc5C)c4)CC3)n2)cc1 8815920 PXIYTTCVCQAPTA-UHFFFAOYSA-N 490.589 4.856 5 40 JJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1CCN(C(=O)Nc2ccccc2)CC1 9691047 LMDRTISSKDRDTP-UHFFFAOYSA-N 456.498 4.934 5 40 JJBB COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC 16227478 XBQRQQLHUOLEES-UHFFFAOYSA-N 475.521 4.709 5 40 JJBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223879810 NNRFJQCGPCDVIX-CQSZACIVSA-N 484.405 4.688 5 40 JJBB O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cccc(Cl)c1)CCCC3 1864412 KTGZZEPSDRJUOX-UHFFFAOYSA-N 467.934 4.703 5 40 JJBB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 8922777 QECQEXCTBLACAW-XMMPIXPASA-N 450.878 4.564 5 40 JJBB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9127648 ORLZXOBUPLOOLU-SANMLTNESA-N 494.475 4.535 5 40 JJBB CN(Cc1ccccc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCCCC1 12539775 CYEVHVCUCHJCKF-UHFFFAOYSA-N 468.554 4.571 5 40 JJBB CC(=O)Nc1ccc(Nc2cc(Nc3ccc(NC(C)=O)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16790382 CAMICUSQPFHMAL-UHFFFAOYSA-N 464.438 4.907 5 40 JJBB Cc1cccn2cc(-c3ccc(NC(=O)CCCn4c(=O)oc5cc([N+](=O)[O-])ccc54)cc3)nc12 40119353 QELLPDHVLTXYHA-UHFFFAOYSA-N 471.473 4.545 5 40 JJBB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 3146680 GXFFLAASKSDINA-UHFFFAOYSA-N 494.301 4.566 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c([N+](=O)[O-])c1 9630552 PMJVPQXRBWGMJC-UHFFFAOYSA-N 460.519 4.585 5 40 JJBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 16688299 VDFMKMYEVSIKBX-UHFFFAOYSA-N 458.740 4.620 5 40 JJBB O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102734700 SZNGISRRWCCVBE-QKNQBKEWSA-N 484.295 4.953 5 40 JJBB O=C1[C@H]2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 102755231 MNXKREDWCRGYCZ-ISJGIBHGSA-N 481.464 4.906 5 40 JJBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 224578414 ZYLSVSMLNBVQHW-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1O 408545485 ZELTUGWWHREOOL-UHFFFAOYSA-N 495.948 4.856 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409139117 MQPLCMAUOBWADY-XDHOZWIPSA-N 492.937 4.909 5 40 JJBB Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O 409182784 NYMQDJGFGFJNJP-UHFFFAOYSA-N 450.834 4.714 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 8827433 FPJYQWHUVJODCI-MRXNPFEDSA-N 484.287 4.670 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 35999870 PKPFHGIUQUSLQN-OLKYXYMISA-N 499.910 4.647 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36311769 CIEPJQVBYARERO-PSELDJGJSA-N 485.565 4.722 5 40 JJBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408561713 KKUBJEZQAVPRPM-FCQUAONHSA-N 454.508 4.973 5 40 JJBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c(Br)cc1OC 408566384 FNOBEKZHXHHJEO-IBGZPJMESA-N 493.383 4.856 5 40 JJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCCC1)OCc1ccccc1 409002490 NUKZSMSDOHSEDV-QHCPKHFHSA-N 453.539 4.661 5 40 JJBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409085732 ZUKBDCCFIBVUOH-JCMHNJIXSA-N 451.548 4.906 5 40 JJBB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409181386 BXAAVFBBLNOZCK-UHFFFAOYSA-N 451.287 4.987 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)cc1 409215838 FRTGYEVHGDPNCH-ODLFYWEKSA-N 494.460 4.596 5 40 JJBB COc1ccc(Cn2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2248089 ZIIHKKGQFPIFHZ-UHFFFAOYSA-N 456.418 4.520 5 40 JJBB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 3254778 HSJIYEFAJAEARR-LBPRGKRZSA-N 475.552 4.717 5 40 JJBB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9545691 TUBOQPXZGWUTIK-LLVKDONJSA-N 482.349 4.728 5 40 JJBB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 9554204 GZQDEONZRKTOJJ-UHFFFAOYSA-N 495.448 4.739 5 40 JJBB COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c2ccccc12 10903085 KNFQHSOWEOMMEB-UHFFFAOYSA-N 495.963 4.921 5 40 JJBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12527653 QFEITWPMPBTTTQ-UHFFFAOYSA-N 452.555 4.775 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 103140246 YQAIIBRNBTWWED-UKILVPOCSA-N 484.512 4.556 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223397157 YAAFOXMJLCKLOV-RPWUZVMVSA-N 455.543 4.953 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223986865 JOZJHZXSZYEJLJ-RPBOFIJWSA-N 498.568 4.916 5 40 JJBB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225563816 QDFRTVQKEYEGLE-FQEVSTJZSA-N 467.566 4.535 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247337370 RCLIYRAWEGKYHJ-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408690155 ZURNMGGTEOAPGF-JOCHJYFZSA-N 471.918 4.855 5 40 JJBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] 408906018 AFMNXGLHJABTAA-UHFFFAOYSA-N 479.436 4.975 5 40 JJBB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 9222110 WJDOVROLIOHHJN-UHFFFAOYSA-N 470.934 4.580 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289036 YEYIJQJCSRTPRF-DNQXCXABSA-N 469.501 4.885 5 40 JJBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 25397898 VZPHAFOTNHXDPC-UHFFFAOYSA-N 496.947 4.721 5 40 JJBB O=C(c1ccc(Br)cc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 101064389 BKAHTEOQRMKSPK-WOJBJXKFSA-N 494.301 4.654 5 40 JJBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 409180563 WYWWWTFGDLALAK-DEOSSOPVSA-N 450.422 4.620 5 40 JJBB Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2236695 DGZMCJXYMPBKDA-UHFFFAOYSA-N 454.486 4.985 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C)CC2 12921485 RIQZWXISVVZVKL-RUZDIDTESA-N 481.574 4.877 5 40 JJBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O 106725349 GTIXGWCEZMFKNF-PXNMLYILSA-N 479.308 4.698 5 40 JJBB CC[C@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NC[C@H]1CCCO1 9473224 LHAIXFXULDGIBC-QRWLVFNGSA-N 499.434 4.964 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2)cc1 9714817 BZTUFCJYTBCWRM-UHFFFAOYSA-N 468.516 4.566 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 102761681 XFPFRSWGFYOUEZ-FDFHNCONSA-N 463.877 4.608 5 40 JJBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] 408584182 MSXXHZTYIXORKA-GOSISDBHSA-N 467.547 4.514 5 40 JJBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409249185 JTKBODAWNJWBKI-LPYMAVHISA-N 473.485 4.584 5 40 JJBB COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc([N+](=O)[O-])cc2)ccc1O 9171803 DEUGOTZPAJTAGW-LJQANCHMSA-N 456.458 4.636 5 40 JJBB O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(c2ccc(F)cc2)CC1 9434218 DBITZLVPPHMEKC-UHFFFAOYSA-N 457.534 4.800 5 40 JJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)nc12 10010657 HLJLBIOGGLBLRZ-UHFFFAOYSA-N 466.313 4.772 5 40 JJBB Cc1cc(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br 12660816 KQWVACAPUSUDBI-UHFFFAOYSA-N 490.354 4.698 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 13647284 RYAHVHBGHKSZTJ-QXTIUPHPSA-N 491.503 4.968 5 40 JJBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 23157594 VRBZLRBNMFATBI-OAQYLSRUSA-N 463.563 4.757 5 40 JJBB CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 30880304 AGHSKKZXYWNSPQ-UHFFFAOYSA-N 491.569 4.875 5 40 JJBB Cc1ccc(Cl)c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1Cl 62388968 IWRATJWVZUBHAB-UHFFFAOYSA-N 474.348 4.519 5 40 JJBB COc1ccccc1-n1c(SCC(=O)NCC2CCCCC2)nc2cc([N+](=O)[O-])ccc21 12565671 OYIBIHSHIDZADW-UHFFFAOYSA-N 454.552 4.731 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 12573540 SFXIQUYUSVNNMO-UHFFFAOYSA-N 479.514 4.778 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223516249 SOLCQEIMPBLNPH-RPWUZVMVSA-N 487.541 4.826 5 40 JJBB CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1Cl 14398352 ZMQLXJVUDPMLRA-UHFFFAOYSA-N 480.757 4.740 5 40 JJBB CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 33325213 SFGFZNSDBJENNN-UHFFFAOYSA-N 460.446 4.728 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224026072 LLSOZVXTTZDPRZ-RPWUZVMVSA-N 485.525 4.686 5 40 JJBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)c1 409337655 XCQFQOOPEJZDJQ-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2222047 RVNVUIAUYIISRF-INIZCTEOSA-N 455.518 4.821 5 40 JJBB CC(C)Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2sc3c(c2c1=O)CCC3 3446826 WARCJHWKUWUBBY-UHFFFAOYSA-N 473.576 4.670 5 40 JJBB CC[C@@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NC[C@@H]1CCCO1 9473222 LHAIXFXULDGIBC-MGPUTAFESA-N 499.434 4.964 5 40 JJBB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9662929 YXCDDZRONKOQOF-UHFFFAOYSA-N 455.443 4.940 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1[N+](=O)[O-] 9896616 JWZUSIAUXCGFQA-JOCHJYFZSA-N 465.531 4.681 5 40 JJBB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)s2)cc1 12561982 VVMPIFDJGZYCCC-UHFFFAOYSA-N 472.954 4.651 5 40 JJBB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)o2)cc1C 12563134 PXRWZWSTNHQLEQ-UHFFFAOYSA-N 468.941 4.801 5 40 JJBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19929068 HIPMKCCSPDKWCT-UHFFFAOYSA-N 455.279 4.594 5 40 JJBB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1 224820126 XNEHBLTXDVAVIH-UHFFFAOYSA-N 467.503 4.679 5 40 JJBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408647616 JNWPWFJEMYJKRT-PGRDOPGGSA-N 472.497 4.738 5 40 JJBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2253912 BCEOIOYQEZCOHI-QGZVFWFLSA-N 490.361 4.534 5 40 JJBB COc1cccc(NC(=O)CSc2nc3ccccc3c3nc(-c4cccc([N+](=O)[O-])c4)nn23)c1 2969097 NDLOLPOEURMCCI-UHFFFAOYSA-N 486.513 4.592 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 3366940 YSURLRSFGQWHJH-UHFFFAOYSA-N 473.558 4.827 5 40 JJBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 8989871 XHXRPNQGBCWYGE-HYLYESJESA-N 480.645 4.754 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 9280924 YIGZXXGPSCZASC-KRWDZBQOSA-N 453.863 4.869 5 40 JJBB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Cl 14275239 UDJWFMBGRFNCPD-UHFFFAOYSA-N 479.139 4.800 5 40 JJBB CCOC(=O)C(Oc1ncc(Br)cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 16682196 OKCSJEIJJMDMDN-UHFFFAOYSA-N 457.280 4.638 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc2c3c(cccc13)CC2 20530836 CJUDKRGDDMPSFW-LJAQVGFWSA-N 478.504 4.854 5 40 JJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 37089072 YUAHLMCGKFOWKM-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 102705875 RYAHVHBGHKSZTJ-UWPQIUOOSA-N 491.503 4.968 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224025502 QRMDWHXZYXYIEB-SANMLTNESA-N 473.573 4.612 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225062890 GFMCISZGKXXQBU-HSZRJFAPSA-N 497.592 4.547 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4OC)cnc32)cc1 2195520 FFWVEUSCEJMSGS-UHFFFAOYSA-N 477.524 4.544 5 40 JJBB Cc1nn(C(=O)c2ccc(I)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 3198271 OPYGPFFBKNFSGP-UHFFFAOYSA-N 479.299 4.852 5 40 JJBB O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4106484 VFDAGJVRWUSIBM-UHFFFAOYSA-N 472.423 4.763 5 40 JJBB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCc4ccc([N+](=O)[O-])cc4)nnc23)cc1 9120396 OKSNJJBOIBQDCX-UHFFFAOYSA-N 457.515 4.601 5 40 JJBB CC(C)NCC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@@H](C(C)(C)C)C2 15946881 HJBDOTIDFZXVBW-OAHLLOKOSA-N 472.611 4.996 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)o2)cc1 39767243 NADSYIADCHDFTK-LHHJGKSTSA-N 485.456 4.558 5 40 JJBB O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 409178113 JIJWAWAHAVCFBV-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409222047 BNRKEXZUOOYHOS-YBEGLDIGSA-N 467.297 4.690 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)o1 409237002 UKNLAHGMTXPUKA-JAIQZWGSSA-N 481.461 4.977 5 40 JJBB Cc1sc2ncn3nc(-c4cccc(Cn5cc(Br)c([N+](=O)[O-])n5)c4)nc3c2c1C 2808087 IDQRCQJYYURRRL-UHFFFAOYSA-N 484.339 4.538 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 9129333 LFXKEWHDWBIWLB-OAHLLOKOSA-N 463.490 4.605 5 40 JJBB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 9454670 IDZHFUKHZZZYGX-UHFFFAOYSA-N 452.829 4.647 5 40 JJBB COc1ccc(C2=N/C(=C/c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)cc1[N+](=O)[O-] 48304144 PJLXJMSOSVKRSB-JLHYYAGUSA-N 457.851 4.850 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 72260317 PRCQLRNEXQASCH-UHFFFAOYSA-N 491.422 4.971 5 40 JJBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223365620 CCZAYBNQSWAGHG-DEOSSOPVSA-N 479.964 4.567 5 40 JJBB CN(C)c1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 248007529 AXVIKEQTAYLUKG-XDZVQPMWSA-N 484.512 4.557 5 40 JJBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1 408553450 WNICYNOAFKRQSM-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640142 AMIWUIOJNVBXSM-KRWDZBQOSA-N 494.887 4.820 5 40 JJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1I 409177622 BBKSEQHOWNSUPZ-HXUWFJFHSA-N 487.249 4.980 5 40 JJBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2cc(C)cc(C)c2)cc(OC)c1OC 2214611 KBHUVOVDYWFRMW-UHFFFAOYSA-N 497.551 4.547 5 40 JJBB COc1ccc(-n2c(S)nnc2-c2cccc(COc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 2793101 VWNKSJIWZHZAAY-UHFFFAOYSA-N 464.503 4.727 5 40 JJBB COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5OC)CC4)c([N+](=O)[O-])c3)n2)cc1 8586914 HFQWNJNUDKZATF-UHFFFAOYSA-N 487.516 4.656 5 40 JJBB CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 8831485 SIFTZSCNFICCTC-UHFFFAOYSA-N 467.595 4.558 5 40 JJBB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9312903 AXVIKEQTAYLUKG-SSUZURRFSA-N 484.512 4.557 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2C)cc1 10332916 JMCMOGAHVOKSFK-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 13871572 BNWFVFXQYABYEB-HNNXBMFYSA-N 455.540 4.639 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 16042166 ZDVJERRVLZJEQA-HSZRJFAPSA-N 489.524 4.996 5 40 JJBB biogenic CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566218 NHLBAOJETZZZMU-LAMXGVLKSA-N 481.911 4.580 5 40 JJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] 2685914 DVYUEMVGWZMACV-JOCHJYFZSA-N 480.318 4.850 5 40 JJBB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1Br 9833997 PASKBEWGRLSSRJ-UHFFFAOYSA-N 469.704 4.792 5 40 JJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 13070549 QDQQOLVIKKGHFV-UHFFFAOYSA-N 465.483 4.865 5 40 JJBB COc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c([N+](=O)[O-])c1 14278636 MOMSNPRFFPHMCQ-ZZXKWVIFSA-N 486.116 4.789 5 40 JJBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 16692067 FEKYYEJKFFECAB-UHFFFAOYSA-N 462.487 4.929 5 40 JJBB CC(=O)Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(N2CCOCC2)c1 22636661 RKKBCJFPKSXLOM-UHFFFAOYSA-N 474.926 4.510 5 40 JJBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 59294092 OUJWDDLLIWZPDY-UHFFFAOYSA-N 459.896 4.640 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225644034 AUUAEIMUVHSSQX-VGOFRKELSA-N 475.586 4.689 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408918103 GDSJCFRXKMWSCH-ZRDDSIGQSA-N 465.292 4.995 5 40 JJBB COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c(OC)c1 8792217 QQYFZRIWFIZMCX-UHFFFAOYSA-N 479.492 4.627 5 40 JJBB biogenic CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 13803963 DDQWRVUFIHYGNV-SDHOMARFSA-N 487.512 4.825 5 40 JJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409173382 LPJRSHBEOPWHMF-UHFFFAOYSA-N 455.404 4.919 5 40 JJBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833008 MUFUUFYAOYODID-UHFFFAOYSA-N 477.384 4.783 5 40 JJBB COCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1 9982126 MHPRMFFHJRJREW-UHFFFAOYSA-N 482.349 4.537 5 40 JJBB CC(C)C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429775 LPVCUQVAVQAWSP-DEOSSOPVSA-N 481.574 4.694 5 40 JJBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408574990 VHVYAGXIEYQVNS-HXUWFJFHSA-N 462.959 4.973 5 40 JJBB CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 3195869 UFVYDTNALKNCBO-UHFFFAOYSA-N 486.480 4.973 5 40 JJBB CCOc1ccccc1NC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C 6631558 KGDXVNCWMWWWCF-UHFFFAOYSA-N 483.502 4.655 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 9129332 LFXKEWHDWBIWLB-HNNXBMFYSA-N 463.490 4.605 5 40 JJBB CC(C)CC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(CC(C)C)n3c4ccccc4nc3c12 9243538 RNUPKRPENBOCOB-UHFFFAOYSA-N 489.620 5.000 5 40 JJBB CCNc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 12652743 DTFZVJALPHSOIS-JTQLQIEISA-N 459.808 4.883 5 40 JJBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C)c1I 59294190 DUKNQZGCRZHJIX-UHFFFAOYSA-N 465.291 4.669 5 40 JJBB O=[N+]([O-])c1cccc([C@H]2CC(c3cccc(Br)c3)=NN2S(=O)(=O)c2ccccc2)c1 89847718 OHSDRDZYHAKELX-OAQYLSRUSA-N 486.347 4.897 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 102087821 XRYDYBKKKRWOKG-UWPQIUOOSA-N 491.503 4.968 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106738645 AIAXQOWCMBVYJL-BNCCVWRVSA-N 453.259 4.867 5 40 JJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224595090 RDYIGASVNZZARS-QHCPKHFHSA-N 471.623 4.716 5 40 JJBB COc1c(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc2ccccc2c1Br 8833226 PBXUOXJICYJPQU-UHFFFAOYSA-N 474.336 4.954 5 40 JJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(C)cc(C)c1 102921388 QSFRDQUESRDNMT-GKPLWNPISA-N 498.583 4.689 5 40 JJBB COc1ccccc1-n1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc2cc([N+](=O)[O-])ccc21 103112855 NNGCHWCWXIIXCX-FAJBIJEISA-N 480.590 4.975 5 40 JJBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1 197558993 XJEAXUSHZMIWKR-QFIPXVFZSA-N 486.553 4.549 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408619024 HPECFSNJAAMJKU-UHFFFAOYSA-N 479.436 4.975 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 6280132 FYESHARBZVUMHV-UHFFFAOYSA-N 491.529 4.596 5 40 JJBB C[C@@H](CNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)c1ccccc1 9860273 DJBDDJFJWMZSEL-FQEVSTJZSA-N 489.583 4.835 5 40 JJBB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10904299 XAADVMYIVUAPTF-UHFFFAOYSA-N 451.914 4.652 5 40 JJBB CC[C@@H](C)c1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 13058870 IKJHKZDJCAWZEF-LJQANCHMSA-N 473.595 4.706 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc2[nH]ncc2c1 24983132 KOYPCFNWCSVBPO-HXUWFJFHSA-N 495.289 4.770 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223397399 FJFDKKXUONOVLI-BJKOFHAPSA-N 455.543 4.953 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225100969 KWTSGEPKUNNEBG-QHCPKHFHSA-N 451.567 4.702 5 40 JJBB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408984256 IKQVALDJQYVOMA-STZFKDTASA-N 472.453 4.866 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409171474 BZOLIDWZRRYNAA-VWLOTQADSA-N 477.542 4.672 5 40 JJBB O=C(COCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCCC2CCCCC2)cc1 9763329 WMJCIYGNIMBNJF-UHFFFAOYSA-N 455.511 4.538 5 40 JJBB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14359792 XOVXIFJBRVOHNN-UHFFFAOYSA-N 491.548 4.698 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)CCC2CCCC2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976846 IJCOFNMFCTWSQS-UHFFFAOYSA-N 483.546 4.798 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 19856523 RTHLINBMQQFKME-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20142610 KNGCYJFIKILZLZ-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C(F)F)c(Br)c3C)nc12 22714233 XFEIKIJFJNCPKQ-UHFFFAOYSA-N 478.326 4.757 5 40 JJBB Cc1c(F)cccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408739115 XQAKIDNOYSACCH-JOCHJYFZSA-N 451.454 4.519 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 409177235 FEPUPQIBFLZCGL-UDWIEESQSA-N 496.932 4.773 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC 6162839 PPLDDEMBLVJQIC-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8832671 LDTCFLIPXUSDGM-UHFFFAOYSA-N 458.946 4.573 5 40 JJBB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 8846142 YHVIIKIXISDOSF-HXUWFJFHSA-N 492.285 4.917 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1[N+](=O)[O-])CC2 12998063 XSQFXIGBEXBVEF-AREMUKBSSA-N 461.518 4.507 5 40 JJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 409107248 RKHJPYZWRLIWOV-FYJGNVAPSA-N 493.497 4.929 5 40 JJBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 12376642 HDNYZAMNWVASDM-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=C1N[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)S/C1=C\c1ccc([N+](=O)[O-])cc1 14904556 UGBYMRIZRXQTGC-NUFHBSHBSA-N 470.510 4.654 5 40 JJBB Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2)c(C)c1[N+](=O)[O-] 21705969 JDSQKEYAUFNGKR-JOCHJYFZSA-N 476.533 4.595 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 224026406 YJBXQHFWLBWZNV-ZEQRLZLVSA-N 485.525 4.686 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408560645 DSRAICATZUQSFU-UHFFFAOYSA-N 493.900 4.514 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408562569 BQCXFMUMNOKGKW-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB COc1ccc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408651136 GOUAJSWHWZSZTG-JUJAOGAQSA-N 495.318 4.701 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3n2)cc1 861590 HGJCFYCHROIOSC-UHFFFAOYSA-N 455.430 4.850 5 40 JJBB O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3Cl)S(=O)(=O)c3ccccc3)o2)cc1 2663608 CFRJZWIXSBWXCX-UHFFFAOYSA-N 484.921 4.689 5 40 JJBB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3188325 BPQKBEHQXGQCDT-UHFFFAOYSA-N 455.565 4.691 5 40 JJBB CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)Cc1cc([N+](=O)[O-])ccc1Cl 8851053 NCANLPSNBTXDOP-UHFFFAOYSA-N 455.927 4.924 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cc(Br)cc(Br)c1OC 14278642 JXWVLCFAHSMZKV-ZZXKWVIFSA-N 486.116 4.789 5 40 JJBB CCCCCOC(=O)c1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 3111865 CERDLAQDPCMABZ-UHFFFAOYSA-N 482.274 4.799 5 40 JJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1cc(C)nc2ccc(OC)cc12 6089697 KZUANHYOMBVOQD-UHFFFAOYSA-N 471.535 4.988 5 40 JJBB Cc1nc2ccccc2c2c1C(=O)N(c1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1)C2=O 13361968 HOIGPDQUQLRVEN-UHFFFAOYSA-N 467.437 4.609 5 40 JJBB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272592 XOUHRQJOQPCPDL-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@H]1COc3ccccc3O1)n2C[C@H]1COc2ccccc2O1 16525008 VSXVRBNVULAKSU-ZWKOTPCHSA-N 491.525 4.717 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 20609894 BRASPQRVLUBPKC-UHFFFAOYSA-N 455.430 4.850 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222988179 VEUGUBJFQQRQOD-CQSZACIVSA-N 466.365 4.776 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247295411 CLPBGOJNBGQOBQ-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408730646 GTESCVPNCPPFFS-FSAHKVHBSA-N 494.503 4.733 5 40 JJBB Cc1sc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)nc1-c1ccccc1 409154021 NGGCSSIUEAKWCO-UHFFFAOYSA-N 453.505 4.808 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1Br 409373850 VKOLFPKXLYZYSC-ZKKFKWFVSA-N 489.325 4.543 5 40 JJBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 1808389 WLJMEFSYBOLEHU-HMFGGZQFSA-N 480.645 4.754 5 40 JJBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20503780 JBMAJIRBABAZQR-KKMBPYAXSA-N 495.557 4.614 5 40 JJBB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 96921004 HGRKFTLTCUUFIX-OTJDAXFFSA-N 489.962 4.559 5 40 JJBB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 195533122 LHPQGWKPHHYYHO-UHFFFAOYSA-N 469.704 4.792 5 40 JJBB COC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 9160491 SIFRQNIVXUVSHH-UHFFFAOYSA-N 461.430 4.848 5 40 JJBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1nc(-c2c[nH]c3ccccc23)cs1 10029378 LQHCTSJEDZSXTL-UHFFFAOYSA-N 456.867 4.649 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 12995267 UCKZBUVLIVOHHG-XMMPIXPASA-N 467.547 4.568 5 40 JJBB O=C1/C(=C/NNc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 33014595 NERJTBAVNDGKGO-DEDYPNTBSA-N 468.391 4.758 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 101116212 BOPVQJYHDXWSQO-FSSWDIPSSA-N 463.877 4.608 5 40 JJBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 205760367 QIAIFBMVKYEWBV-SRZZPIQSSA-N 479.514 4.586 5 40 JJBB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224821362 VBJIWUMCKSUPRR-UHFFFAOYSA-N 461.584 4.506 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225069305 DNQGLLGWTRMIDK-HSZRJFAPSA-N 451.567 4.702 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225658922 CNTWBXUZIXSGLD-QGZVFWFLSA-N 478.014 4.671 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1Cl 408593973 RAJXMSGDQHAIPB-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6280186 CHVDJJOADBBPAW-UHFFFAOYSA-N 490.501 4.790 5 40 JJBB CC1CCN(c2cc(Nc3ccc(I)cc3)c([N+](=O)[O-])c3nonc23)CC1 9087651 FTJAFCSCBNDQAQ-UHFFFAOYSA-N 479.278 4.716 5 40 JJBB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101157388 VGZLNELXZVIVMT-BDTNDASRSA-N 463.877 4.608 5 40 JJBB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563962 LQNFSBWTSMDMQE-UHFFFAOYSA-N 467.566 4.537 5 40 JJBB O=C(N[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 9119253 LTDQKEUVUGMOTB-OAQYLSRUSA-N 472.530 4.529 5 40 JJBB O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 9404525 QTPRZYQPFPUEIC-UHFFFAOYSA-N 465.318 4.852 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 13301422 WBPUKBFHWJFTNO-ZOVQAKDCSA-N 454.482 4.564 5 40 JJBB CCN(CC)S(=O)(=O)c1cc2c(SCC(=O)O)c3c(C)ccc(C)c3nc2cc1Cl 17248657 QZWQJYNQNLEORM-UHFFFAOYSA-N 467.012 4.865 5 40 JJBB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39766839 FQEWREVACAGNRD-NTEUORMPSA-N 455.430 4.549 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686313 RMOBQWIQVZNIEU-JEBQAFNWSA-N 490.343 4.880 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)s2)cc1 9062293 LVXHUQQWYYXSBL-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 9427834 RYAHVHBGHKSZTJ-GEBXHLAXSA-N 491.503 4.968 5 40 JJBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 12857502 ILWGTBWLVGJILG-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1 16953555 JUKPVYUEGVPJDR-JOCHJYFZSA-N 463.515 4.812 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@@H]1CCCN12 408564374 CLKLCHOHEMWBNJ-FCRYVSRXSA-N 489.959 4.974 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408574029 HLFIJNDHVJAAFT-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 409336373 OHVYEAGIENFIMM-UHFFFAOYSA-N 456.600 4.912 5 40 JJBB Nc1nc(-c2cc(-c3cccc([N+](=O)[O-])c3Cl)nc(N)n2)cc(-c2cccc([N+](=O)[O-])c2Cl)n1 1588458 XRZNWAMQIRVENM-UHFFFAOYSA-N 499.274 4.555 5 40 JJBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 2151930 BVDWWLHWZWSCKF-FQEVSTJZSA-N 455.507 4.800 5 40 JJBB biogenic COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c([N+](=O)[O-])c1 6924659 NMDMRHKNAHCKIN-UHFFFAOYSA-N 475.530 4.641 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 8901583 VVDSEMMXPPIXRV-MDWZMJQESA-N 490.947 4.863 5 40 JJBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 8901646 MOKUOWMSONTJRF-UHFFFAOYSA-N 482.924 4.819 5 40 JJBB CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1 26841981 QITMVUBPPOGTOR-PXLXIMEGSA-N 488.525 4.713 5 40 JJBB Cc1nn(Cc2ccc(C(=O)NCc3ccc(CN4CCC[C@H](C)C4)cc3)cc2)c(C)c1[N+](=O)[O-] 58949042 JHCPSRITAXNCLH-IBGZPJMESA-N 475.593 4.618 5 40 JJBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224765745 JKCPRQDFNKVXKO-MHZLTWQESA-N 485.584 4.836 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1C 408675421 YLLXWLMQQGCEIM-UHFFFAOYSA-N 483.546 4.647 5 40 JJBB O=C(COc1c(Br)cc(Br)c2cccnc12)Nc1cccc([N+](=O)[O-])c1 3239537 HXHVFCLQYYCRDK-UHFFFAOYSA-N 481.100 4.686 5 40 JJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)cnc32)cc1 8834547 IWQMYUJISWZMMI-UHFFFAOYSA-N 461.525 4.594 5 40 JJBB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9463112 XWGOKBNAQIVXFQ-LBPRGKRZSA-N 466.441 4.927 5 40 JJBB COc1ccc(CCN(C)C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1OC 9512549 FSSINGKLUOEJNA-UHFFFAOYSA-N 473.576 4.843 5 40 JJBB Nc1ccc(C(=O)OCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)cc1[N+](=O)[O-] 13040843 DNFHNHJFRUDIGU-QFIPXVFZSA-N 485.290 4.904 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13787918 JQULETKQGCNLTD-QHAWAJNXSA-N 499.401 4.545 5 40 JJBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225729988 YBBDCEBQWMVFKP-SANMLTNESA-N 473.573 4.550 5 40 JJBB COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 8792415 WNUDEHOVRPKEHP-UHFFFAOYSA-N 494.503 4.975 5 40 JJBB biogenic CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3O)nc2c1 8835203 AAFJOODURXBTGX-UHFFFAOYSA-N 492.513 4.806 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 8923548 QSODWOGCCQXMPF-QHCPKHFHSA-N 471.296 4.909 5 40 JJBB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 8970946 RKCPGGHAUZDUES-ZRNYENFQSA-N 456.340 4.566 5 40 JJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 9462182 YWXZBOFJBLURTP-UHFFFAOYSA-N 455.518 4.570 5 40 JJBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2cc([N+](=O)[O-])ccc21 12311698 CXOYZJMFXVNRNY-UHFFFAOYSA-N 470.457 4.951 5 40 JJBB O=C1c2cccc3cccc(c23)C(=O)N1CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 13300993 CZMNABFOWFCIDX-UHFFFAOYSA-N 483.455 4.830 5 40 JJBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14269551 IUNLVOKQVDOSIC-UHFFFAOYSA-N 456.568 4.715 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 16045549 FMMWCAQUDUBDIM-SECBINFHSA-N 474.105 4.534 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3O)nnc2-c2ccccc2O)c(C)c1 38160611 WQLIGUCQBMUOHA-UHFFFAOYSA-N 491.529 4.601 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 101195300 TXRMFAGOPOCSLU-VJBWXMMDSA-N 477.904 4.916 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 408569309 VOHFGNQXTJYXBK-RHLLLVCUSA-N 481.911 4.626 5 40 JJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409072731 KUXQGGXNUHVLEZ-PDMWYYABSA-N 471.274 4.759 5 40 JJBB COc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 907430 SINVBWWPCWDUBB-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc(O)cc2)cc1 6280733 TYZHRYDSCYWLAG-UHFFFAOYSA-N 491.529 4.596 5 40 JJBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20609947 KJOBPAGEWBGKKJ-UHFFFAOYSA-N 456.506 4.880 5 40 JJBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1OCC(=O)O 79492283 LXNSHVVAVRXWBF-UHFFFAOYSA-N 477.473 4.770 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 9059418 LWOFSIVECVEFJA-HNNXBMFYSA-N 479.518 4.628 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 20244223 HPIFTYQYGYICDS-VWLOTQADSA-N 461.543 4.972 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 59503338 NCCQVXXQHDZUMO-ISQHLFTMSA-N 465.292 4.778 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 102732562 RKRXFPUFHNLTPZ-DSITVLBTSA-N 465.465 4.799 5 40 JJBB Cc1ccc(-c2nc(COC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cs2)cc1 8882485 FPIVVXSIVHZWFM-UHFFFAOYSA-N 467.532 4.663 5 40 JJBB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 9360175 HUKORXNWGDLELI-KRWDZBQOSA-N 453.863 4.869 5 40 JJBB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101143697 HVHAQXLUHGXITG-SMIHKQSGSA-N 471.513 4.943 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O 408919075 SJFHQIXWCNHKHI-NFJKTXFASA-N 489.325 4.806 5 40 JJBB COc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 873182 AOSMUQXQYQEABT-UHFFFAOYSA-N 468.535 4.819 5 40 JJBB Cc1cc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 3079955 KDIPOYGWLCHIHN-UHFFFAOYSA-N 450.403 4.867 5 40 JJBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 16284556 RMTDQPHDSZPCOL-UHFFFAOYSA-N 474.546 4.887 5 40 JJBB NC(=O)c1ccc(SCC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 40157327 AZCXTYTUSWAQQH-LJQANCHMSA-N 469.950 4.539 5 40 JJBB O=[N+]([O-])c1ccc2nc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)sc2c1 59488321 UBOCENOYEMRWHD-UHFFFAOYSA-N 457.585 4.521 5 40 JJBB CN(c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 89365249 USEDXEHJANYYKD-UHFFFAOYSA-N 481.313 4.946 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 223481905 FTFMUZJHOKTHTA-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224614208 KTWCBYQYVOWVOS-XZOQPEGZSA-N 457.515 4.663 5 40 JJBB Cc1ccc(C(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408684191 MYWPVAZSTVETLH-QHCPKHFHSA-N 451.500 4.510 5 40 JJBB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2349946 GBFUUDPKLUTNIQ-UHFFFAOYSA-N 471.944 4.820 5 40 JJBB O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 5845433 KLKOXOPIHWLRCF-UHFFFAOYSA-N 451.895 4.566 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 9350885 XFPFRSWGFYOUEZ-VSKRKVRLSA-N 463.877 4.608 5 40 JJBB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1cccc([N+](=O)[O-])c1 9366809 PRPQALUISHLODP-UHFFFAOYSA-N 451.327 4.753 5 40 JJBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)cc1 9668739 UCXHFSBTJBIPNS-UHFFFAOYSA-N 472.545 4.680 5 40 JJBB CC1CCN(c2ccc(C(=O)Nc3ccc(I)cc3F)cc2[N+](=O)[O-])CC1 57316210 VMNCFOGYXLFWOC-UHFFFAOYSA-N 483.281 4.827 5 40 JJBB C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 222913365 IWSJSDYNBAYJQS-IBGZPJMESA-N 493.585 4.546 5 40 JJBB CC[C@@H]1C[N@+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2cc(OC)c(OC)cc21 252506416 SSQAXSNCMRBPGJ-IWTSONCMSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2O)cc1 6280189 PWOFSCXXAOYXTC-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB Cc1c(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)oc2ccccc12 8971284 RGLQJYKIOZCLRU-UHFFFAOYSA-N 492.479 4.505 5 40 JJBB O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cc2ccccc2o1 9064547 QGZUNJUGFPPJDU-UHFFFAOYSA-N 460.471 4.720 5 40 JJBB COCCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 9443775 IIXQYZFPXJNVFX-GFCCVEGCSA-N 496.376 4.926 5 40 JJBB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12563659 ZAKUZSYNOHSFMZ-UHFFFAOYSA-N 475.332 4.838 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 14398246 DTVIKRJWPZTQAF-UHFFFAOYSA-N 497.554 4.658 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 23983908 JFBZMDNVNLWLNV-UHFFFAOYSA-N 479.518 4.542 5 40 JJBB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1C=Cc3ccccc3[C@@H]21 35844199 BQRZUJOAIBJIQW-SPUCYACYSA-N 493.519 4.550 5 40 JJBB COc1c([N+](=O)[O-])cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1[N+](=O)[O-] 103933738 YEIKKRWIXCXHKJ-UHFFFAOYSA-N 452.788 4.540 5 40 JJBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222755912 RHBYOOZXIQEJDD-AREMUKBSSA-N 491.563 4.689 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686314 RMOBQWIQVZNIEU-XWIAVFTESA-N 490.343 4.880 5 40 JJBB Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408688670 WMSZBRPGRMGAGC-QHCPKHFHSA-N 451.500 4.510 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1C 409172998 HCKHPPSXWMSFSZ-CYBMUJFWSA-N 461.931 4.556 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409361826 FEYIFCNBHOMYKZ-UDWIEESQSA-N 479.470 4.538 5 40 JJBB COc1ccccc1NC(=S)N[C@@H](NSc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 3212766 LNALKZXMONTYPK-AWEZNQCLSA-N 481.814 4.883 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 8901995 IGKXKKPWAQDNAJ-UHFFFAOYSA-N 484.965 4.833 5 40 JJBB Cc1c(Cl)cccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 19856095 GPKPQTQGKBOBOX-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccccc1F 39556232 RVWAPIQHDCSJTC-YDZHTSKRSA-N 470.460 4.830 5 40 JJBB CC[C@@H]1C[N+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 72320127 SSQAXSNCMRBPGJ-GKXZXEFYSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1 215699879 IGUSHPDNSUTQKX-FMCGGJTJSA-N 486.484 4.503 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1 408923124 AAVKDWZTMYEICA-UHFFFAOYSA-N 485.587 4.884 5 40 JJBB O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 2050344 RVALRXZLYFQZGR-UHFFFAOYSA-N 464.347 4.867 5 40 JJBB Cn1cnnc1Sc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1[N+](=O)[O-] 3326208 WBCHMGBJKVBMAC-MKMNVTDBSA-N 476.301 4.526 5 40 JJBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408647609 JNWPWFJEMYJKRT-AVRDEDQJSA-N 472.497 4.738 5 40 JJBB CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nc2ccccc2c1=O 9539840 JASVXTKKXSZLOU-UHFFFAOYSA-N 490.541 4.732 5 40 JJBB O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9934612 LYUFILCXPVPOLF-UHFFFAOYSA-N 470.529 4.958 5 40 JJBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 57316849 FXNBAGLNEVZYSW-UHFFFAOYSA-N 493.608 4.532 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408919034 RWBRMKJGXCXNHC-YCIYHOANSA-N 489.325 4.806 5 40 JJBB O=C(Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2)c1cccc([N+](=O)[O-])c1 9892022 PMKFDSLLDWOJGV-UHFFFAOYSA-N 483.274 4.612 5 40 JJBB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 12522185 QGPVEBAXMPKZEN-UHFFFAOYSA-N 490.560 4.626 5 40 JJBB Cc1ccc(-c2csc3ncn(CC(=O)Nc4c([N+](=O)[O-])ccc(C)c4C)c(=O)c23)s1 12763346 SCPYPKGKZKAMLA-UHFFFAOYSA-N 454.533 4.659 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223397108 YAAFOXMJLCKLOV-DNQXCXABSA-N 455.543 4.953 5 40 JJBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225747552 PSIXVVVRMPRVLM-MHZLTWQESA-N 487.600 4.858 5 40 JJBB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409169460 QXZQJOIATVJZQV-UHFFFAOYSA-N 469.567 4.948 5 40 JJBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 409180174 USEVXKNXBPJQIV-UHFFFAOYSA-N 451.456 4.711 5 40 JJBB Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)c1 409252242 WXCIGXFZCQENDU-ZVHZXABRSA-N 466.497 4.999 5 40 JJBB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900994 STKINTDPAJDPQY-UHFFFAOYSA-N 486.484 4.682 5 40 JJBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 9562134 AGPVXNBYLVRICA-QHCPKHFHSA-N 495.285 4.761 5 40 JJBB Cc1nc(-c2ccc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)cc2)cs1 24828479 NLNWOAVASZIEFA-HNNXBMFYSA-N 472.592 4.984 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 59108649 KQFISUBZMZPJPQ-UHFFFAOYSA-N 460.534 4.568 5 40 JJBB O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1 585630 ICDRYYPOSXDURK-UHFFFAOYSA-N 481.774 4.811 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 3519774 MIHYIUQTMOOLKQ-UHFFFAOYSA-N 489.487 4.643 5 40 JJBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2n1 8826210 QQIVBTRAPSMYCI-UHFFFAOYSA-N 479.272 4.747 5 40 JJBB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 10441904 NZVGPNFHHAJYCV-INIZCTEOSA-N 460.515 4.722 5 40 JJBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12659854 IACPNQUSYNPDTB-UHFFFAOYSA-N 485.909 4.744 5 40 JJBB CC[C@H](C)c1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 13058872 IKJHKZDJCAWZEF-IBGZPJMESA-N 473.595 4.706 5 40 JJBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14275892 DGUWWTRMTHUBNI-UHFFFAOYSA-N 482.525 4.917 5 40 JJBB COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3S2)cc1OC 16959783 NJARLPYKVROXGI-HSZRJFAPSA-N 493.541 4.821 5 40 JJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998533 SFEAGSKSTRZRDC-UHFFFAOYSA-N 486.550 4.537 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 105346336 QPGZIVYPMJDZHQ-PSELDJGJSA-N 485.565 4.722 5 40 JJBB CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 1511628 YMUHFSNRNHMFSN-UHFFFAOYSA-N 471.513 4.835 5 40 JJBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C[C@@H]1COc2ccccc2O1 2639299 YDLIWWDRBXKCBN-QGZVFWFLSA-N 456.882 4.768 5 40 JJBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 19856137 ROEZBHLTRIKBAU-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224614326 HWHKZEBRZKKKIU-DHIUTWEWSA-N 457.515 4.663 5 40 JJBB CCOC(=O)c1cccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)c1 9308055 ZLXRJMMEXHECTA-UHFFFAOYSA-N 456.502 4.881 5 40 JJBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccccc1Cl 9860238 VINRAHRWBJLFKQ-UHFFFAOYSA-N 495.974 4.885 5 40 JJBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)cc1[N+](=O)[O-] 10022677 JCMYUJZSTICRQE-UHFFFAOYSA-N 461.478 4.984 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14270356 YWXZYOOFIDHCGH-UHFFFAOYSA-N 469.350 4.724 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc5c(c4)OCO5)n3-c3ccccc3)c1)OCOC2 89857529 AOYHRVOXOLEMGE-UHFFFAOYSA-N 490.497 4.730 5 40 JJBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223794036 GCIAYDPCWWRGRN-IBGZPJMESA-N 469.607 4.613 5 40 JJBB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 3240883 QAFVMOZEDUSEOM-HSZRJFAPSA-N 477.904 4.814 5 40 JJBB CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc([N+](=O)[O-])cc1 9391369 WGJHDHJXEGSMNL-QHCPKHFHSA-N 492.528 4.829 5 40 JJBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 20533688 KKGQJPWJCIPXPV-UHFFFAOYSA-N 468.560 4.545 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] 22757242 PDUKPYQCHPCLLV-UHFFFAOYSA-N 496.936 4.508 5 40 JJBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 35080350 YYITUOGMZWKPSD-UHFFFAOYSA-N 452.492 4.720 5 40 JJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 95949702 ZIYDOIBKDOKCEW-IBGZPJMESA-N 478.980 4.982 5 40 JJBB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 229858849 AXVIKEQTAYLUKG-KEVKATSASA-N 484.512 4.557 5 40 JJBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)O)o1 408633359 MRZYRPLVUUFXJH-PXNMLYILSA-N 463.855 4.533 5 40 JJBB O=C(/C=C/c1ccc2c(c1)OCO2)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 12619432 YRVAKNLFDFQICI-GULCCPCXSA-N 480.860 4.913 5 40 JJBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)oc2c1 14270157 YTTWWFKWTCKRBC-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 34887920 GXVXYUGKHUNVJE-NRFANRHFSA-N 480.609 4.826 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222947862 QMXALBOSJLMZEI-AWEZNQCLSA-N 466.365 4.776 5 40 JJBB CCc1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)n[nH]1 408630941 DWYLLRFTFSGWLA-ZSOIEALJSA-N 465.285 4.516 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409221267 NSKHPGYHRWGGTN-LICLKQGHSA-N 466.837 4.541 5 40 JJBB COc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792133 FWGKQDAMRQZHJK-QGZVFWFLSA-N 477.520 4.684 5 40 JJBB biogenic CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 17123788 ZHSXWBZNQBSUEY-ZCYQVOJMSA-N 481.512 4.965 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cc2ccccc2)cc1 17189689 ORWDKSDMPKUDAE-UHFFFAOYSA-N 479.539 4.727 5 40 JJBB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 229655051 RKCPGGHAUZDUES-WCIQWLHISA-N 456.340 4.566 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247312006 IRCIIMCPKXAREI-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408730495 GRACRZGYACRUJA-XTKIHQQCSA-N 494.503 4.733 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 409337212 RLCOGYIBNQTJEC-IRXDYDNUSA-N 496.570 4.615 5 40 JJBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 3335505 HFKVVHBGRQYCGS-UHFFFAOYSA-N 485.447 4.991 5 40 JJBB CCCCOc1ccc(C(=O)N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2ccc(C)cc2)cc1 20583529 QEWKNFNOGAOHJW-UHFFFAOYSA-N 487.512 4.983 5 40 JJBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 108226319 BXPGHWMIOMIRQU-XBXARRHUSA-N 477.348 4.612 5 40 JJBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408647613 JNWPWFJEMYJKRT-GCJKJVERSA-N 472.497 4.738 5 40 JJBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408647619 JNWPWFJEMYJKRT-XMSQKQJNSA-N 472.497 4.738 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408689520 YKXPUWLBVVWSKN-ASUYLVSUSA-N 488.327 4.656 5 40 JJBB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 976291 MTDJKQGEKJVBLM-UHFFFAOYSA-N 494.499 4.876 5 40 JJBB CCOc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8842984 CICBKSRSKNDEKT-HXUWFJFHSA-N 467.503 4.745 5 40 JJBB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 12604435 DORGSIHMOWPFLO-UHFFFAOYSA-N 475.929 4.597 5 40 JJBB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 20632545 WMRLSZDGMOULMJ-OAHLLOKOSA-N 465.922 4.891 5 40 JJBB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 409377178 FJXAULLSWAHOBU-UHFFFAOYSA-N 481.921 4.932 5 40 JJBB COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCc2ccco2)cc1 1148899 MEGTUGXZQFEYBX-PXLXIMEGSA-N 487.468 4.544 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Oc2ccccc2)cc1 3297356 QFXYKBMCECQBNZ-UHFFFAOYSA-N 481.511 4.929 5 40 JJBB COc1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 9138607 NGNSYYSSRSKODK-UHFFFAOYSA-N 495.491 4.700 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C)CC2 13000504 BQKFMJHULHWJRG-HHHXNRCGSA-N 475.545 4.815 5 40 JJBB COc1cc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)cc(OC)c1OC 101327963 OXHCRYWETAFKFU-UHFFFAOYSA-N 476.441 4.646 5 40 JJBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408564541 ZHZZYLRPNDNSLR-VZCXRCSSSA-N 491.323 4.865 5 40 JJBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O)n[nH]2)c1 408631397 DSAVPJDYJUOYTK-NDENLUEZSA-N 494.485 4.875 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409177104 ARHYCBXBCDFPAE-YQORSWRPSA-N 493.288 4.637 5 40 JJBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccncc1 828573 DGRWHTFPGFXRRA-UHFFFAOYSA-N 461.215 4.639 5 40 JJBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc1[N+](=O)[O-] 9368338 VCPSFRLEHWFRMJ-UHFFFAOYSA-N 497.480 4.757 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 13769310 BOPVQJYHDXWSQO-FKBYEOEOSA-N 463.877 4.608 5 40 JJBB COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20142660 RCRQEETWSKPBTK-UHFFFAOYSA-N 465.506 4.844 5 40 JJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2cc(Cl)ccc2Cl)o1 37089070 WJCSNRYJYSNISQ-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB COc1cccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1 95682011 ZFKYIJCDCBGDEM-UHFFFAOYSA-N 464.346 4.897 5 40 JJBB Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 103762848 QFHIKQFBNVQXHZ-QGZVFWFLSA-N 460.877 4.534 5 40 JJBB Cc1sc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)nc1-c1ccccc1 409141273 HLQJQAKBRDWQJC-UHFFFAOYSA-N 466.548 4.553 5 40 JJBB O=C(OCC(=O)c1cccc2ccccc12)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409178510 KLBRFGIXHSDOAB-UHFFFAOYSA-N 475.478 4.621 5 40 JJBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 409325986 FFRPXHDCZQTPAZ-HJWRWDBZSA-N 488.294 4.707 5 40 JJBB CC(C)(C)c1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9720926 REMNEJDUVZNBTH-UHFFFAOYSA-N 480.443 4.782 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cc(C)ccc2C)c1C 13388617 VKZVUYCAZZLNAX-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 35270364 YIBAZBFSKLNJCR-UHFFFAOYSA-N 454.895 4.627 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102768095 FDQDELDTXWZPNF-HKBOAZHASA-N 484.295 4.953 5 40 JJBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] 408584183 MSXXHZTYIXORKA-SFHVURJKSA-N 467.547 4.514 5 40 JJBB COc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408994235 YJYHNOAKODUTGU-UHFFFAOYSA-N 468.421 4.922 5 40 JJBB O=C(NCc1ccccc1)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 805432 WQTLBGGQQCMZQJ-ULJHMMPZSA-N 467.481 4.942 5 40 JJBB COC(=O)c1sc2cc(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)ccc2c1Cl 2794724 ILVZJNAMSMZXKO-UHFFFAOYSA-N 470.894 4.747 5 40 JJBB Cn1c(CSc2nc3ccccc3s2)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9315716 BEMKFGJRWYWDLJ-UHFFFAOYSA-N 497.587 4.968 5 40 JJBB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 9456793 NBENICRVKZFFOO-HSZRJFAPSA-N 479.554 4.697 5 40 JJBB CCNc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1[N+](=O)[O-] 9636243 PQOBYZHOSWOPHS-QHCPKHFHSA-N 461.474 4.766 5 40 JJBB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 14270228 RRGZXQKQVJMYDE-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Oc3ccccc3[N+](=O)[O-])c2c1C 15205241 SEKIPXXFSPMIFF-UHFFFAOYSA-N 456.524 4.863 5 40 JJBB COc1ccc(-c2cc(C(=O)O)c3c(-c4ccc([N+](=O)[O-])cc4)[nH]nc3n2)cc1Br 20492163 ZKJKDAARJKISRA-UHFFFAOYSA-N 469.251 4.669 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2307470 ZXBXOVBFHWJTBP-UHFFFAOYSA-N 461.525 4.903 5 40 JJBB COc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccc([N+](=O)[O-])cc2)cc1 6973577 LRLMOELUVXSHRG-UHFFFAOYSA-N 471.307 4.978 5 40 JJBB COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)n2)cc1OC 8586981 LNJCKHJLZISJGZ-UHFFFAOYSA-N 487.516 4.656 5 40 JJBB aggregator Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 9673309 PRBVPPKQWQVWMG-UHFFFAOYSA-N 471.732 4.724 5 40 JJBB COc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 13960597 ZETUZNQVJNILCD-UHFFFAOYSA-N 499.911 4.515 5 40 JJBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 14273440 FYPWOODGFCDLFR-UHFFFAOYSA-N 465.337 4.603 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 57251190 OQJJHIFTEWWMJC-UHFFFAOYSA-N 468.916 4.962 5 40 JJBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215246580 SEIBPVHYRLTXEQ-UDWIEESQSA-N 464.459 4.589 5 40 JJBB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 409361899 QIZNAHZJSHICKP-UHFFFAOYSA-N 457.581 4.504 5 40 JJBB O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1 596733 WKXWMGOTZJGIIK-UHFFFAOYSA-N 492.673 4.555 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n1 8443542 ZJKWOCHFAOBUMH-UHFFFAOYSA-N 476.232 4.709 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 9158230 CIOOEDYFRDCZNM-DEOSSOPVSA-N 486.480 4.506 5 40 JJBB COc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc([N+](=O)[O-])ccc4[nH]c3=O)=NN2)cc1OC 9354535 ZBUXYCUWZACLGT-FQEVSTJZSA-N 470.485 4.559 5 40 JJBB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 13689319 QTRBFHDBRLGKTM-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]12 59433399 UQGXXJXBYVAYHD-AYIBLLACSA-N 454.482 4.564 5 40 JJBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccccc1 59449297 QAAUPGSSXGUGEY-UHFFFAOYSA-N 475.507 4.980 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409211282 MVXBRVUZLVEYHC-VIZOYTHASA-N 496.726 4.686 5 40 JJBB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 9090914 WJQYJBJGKUJEMH-QFIPXVFZSA-N 461.455 4.890 5 40 JJBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 16043806 KJVFVKXBALQEQD-FQEVSTJZSA-N 455.536 4.650 5 40 JJBB C[C@@H](Sc1ccc(NC(=O)c2ccccc2C(=O)O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22575357 JQCZTZXFADVXJX-CQSZACIVSA-N 465.487 4.665 5 40 JJBB Nc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)s1 59364925 IUOYLGSXLNBFQK-UHFFFAOYSA-N 490.617 4.661 5 40 JJBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640145 AMIWUIOJNVBXSM-QGZVFWFLSA-N 494.887 4.820 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCSc2c(F)cccc21 9368827 ITGDWORMRKTJOU-KRWDZBQOSA-N 451.545 4.558 5 40 JJBB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 32823965 KLUQJTBOQCZSLY-LJQANCHMSA-N 483.528 4.759 5 40 JJBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 59294298 FHMLXOYOSIZQGI-UHFFFAOYSA-N 454.527 4.687 5 40 JJBB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc21 110570505 QMXZUXLIPDESRW-ROKPMTFOSA-N 481.596 4.978 5 40 JJBB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225537506 RLMUFEHOLCPZFO-UHFFFAOYSA-N 467.566 4.537 5 40 JJBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408918278 IIGLHPCOQPGXFW-ZRDDSIGQSA-N 465.292 4.995 5 40 JJBB CC(=O)O/N=C(/C)[C@H]1[C@H](C[N+](=O)[O-])C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5225409 YLMHXCVWMFRELH-OHRFNPKZSA-N 474.598 4.939 5 40 JJBB biogenic CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(SCc3ccccc3)nc2N1 6144742 GYEQTUWGSDBRQY-JOCHJYFZSA-N 499.556 4.801 5 40 JJBB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9129408 PBIWFUHSYZKSRR-IBGZPJMESA-N 461.470 4.571 5 40 JJBB CCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(CCCC)[C@@H]2CCC)C1=O 9242777 HOFOZMHLVSZYLA-PXDATVDWSA-N 472.586 4.571 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCSc2c(F)cccc21 9368828 ITGDWORMRKTJOU-QGZVFWFLSA-N 451.545 4.558 5 40 JJBB Cc1ccc(C(=O)c2c(NC(=O)COC(=O)c3ccccc3[N+](=O)[O-])sc3c2CCCC3)cc1 12575748 KRORGRIQARKLQB-UHFFFAOYSA-N 478.526 4.870 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 14808407 LSNYZKIOBQGRFX-UHFFFAOYSA-N 491.503 4.774 5 40 JJBB Cc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 16043651 MRMFLEIREHHBJQ-UHFFFAOYSA-N 454.866 4.931 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 102760728 DDQWRVUFIHYGNV-CCDWMCETSA-N 487.512 4.825 5 40 JJBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408567266 QSEARBKWXWAUDS-HTZSSYRZSA-N 499.567 4.637 5 40 JJBB CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@H](C)C2 2601658 WYGKLADCMGSXQP-NSHDSACASA-N 468.963 4.535 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] 8835170 GUGPIVNIUMZEPN-UHFFFAOYSA-N 478.486 4.552 5 40 JJBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225524481 JOOIUKBIHPQIEB-RUZDIDTESA-N 491.613 4.523 5 40 JJBB Cc1ccc(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1C 9884179 DDGWDTDNDJNYMZ-UHFFFAOYSA-N 466.548 4.867 5 40 JJBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 10010469 IJMLKTDFGTUGML-ZRDIBKRKSA-N 494.935 4.829 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 12989462 RKTZUAFFYITZBA-DEOSSOPVSA-N 467.547 4.568 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528846 LLGPBZMPLDYDFH-UHFFFAOYSA-N 488.972 4.594 5 40 JJBB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 39763210 FIDASYOYJDFELV-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225136255 MFAPYMLJIIKLDM-DLBZAZTESA-N 478.014 4.813 5 40 JJBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc([N+](=O)[O-])o1 830417 YHODGXXPKVISEY-UHFFFAOYSA-N 475.198 4.853 5 40 JJBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccco1 2639887 CMPOSRKYMZFSTM-UHFFFAOYSA-N 480.420 4.831 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 8902092 XHHVUAKISYLTCN-UHFFFAOYSA-N 489.315 4.709 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 9329367 BZPAHXGGPZOEPF-ZRBLBEILSA-N 477.904 4.916 5 40 JJBB COc1cccc(CNC(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 9670558 YVEJODCONIUBMN-UHFFFAOYSA-N 470.865 4.522 5 40 JJBB CCOC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2c1C 13139658 FBUMNCDXLHKSJZ-LLVKDONJSA-N 490.563 4.521 5 40 JJBB Cc1csc(SCc2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 14667112 TWCOOYZFQCCQJL-UHFFFAOYSA-N 454.577 4.614 5 40 JJBB COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(=O)c2c1C 23779085 STOCSGYJCTZLGN-ZROIWOOFSA-N 471.878 4.985 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 35851891 QPGZIVYPMJDZHQ-VNAWGFGGSA-N 485.565 4.722 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222826288 YDHIPTWYTHPEJN-INIZCTEOSA-N 478.014 4.813 5 40 JJBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224876920 PECBVGNFSHBEPM-VWLOTQADSA-N 493.991 4.955 5 40 JJBB CCc1nc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 408631231 GPGYTOBHACFEGJ-NDENLUEZSA-N 463.519 4.805 5 40 JJBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8769358 QVYBYMSCFNGDFE-RUZDIDTESA-N 480.904 4.573 5 40 JJBB CSc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1[N+](=O)[O-] 9955406 HQGWXQCCTMHKNM-UHFFFAOYSA-N 493.607 4.531 5 40 JJBB Cc1nc2c(cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c3ccsc32)s1 12644354 OPSAQVGIDHESND-UHFFFAOYSA-N 491.572 4.541 5 40 JJBB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 16681539 CJOSSIQBSKBMKA-UHFFFAOYSA-N 454.914 4.902 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519592 RLNBELBECOHQEU-OHTANWTRSA-N 489.528 4.553 5 40 JJBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 21005627 ZRQUDZYUTACZCQ-DEOSSOPVSA-N 470.485 4.942 5 40 JJBB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102752068 HVHAQXLUHGXITG-RBZQAINGSA-N 471.513 4.943 5 40 JJBB COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408574772 CWDLUUFLEGCNFZ-PTGBLXJZSA-N 459.502 4.540 5 40 JJBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C 408639791 ZNGUPCNERJGYAR-FQEVSTJZSA-N 488.496 4.783 5 40 JJBB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 409141324 IFWNXECHHKOEOL-UHFFFAOYSA-N 457.600 4.976 5 40 JJBB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 409358896 HRPHQFZMQOGYEM-UHFFFAOYSA-N 457.581 4.504 5 40 JJBB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9403156 HUPDYWWJFMNDRW-UHFFFAOYSA-N 486.604 4.839 5 40 JJBB COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9934666 JKHYTVPELKOROB-UHFFFAOYSA-N 478.254 4.891 5 40 JJBB O=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 13575607 JPGJRWDAIFFGPE-UHFFFAOYSA-N 481.508 4.741 5 40 JJBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 57316894 RRVZHECLFCTUES-UHFFFAOYSA-N 460.475 4.836 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 106021425 QPGZIVYPMJDZHQ-INADMSBESA-N 485.565 4.722 5 40 JJBB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl 408547236 XGYKLQJBDIMXRP-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(O)cc2)C3=O)cc1 408997999 PRYIIOOJORSKCF-UHFFFAOYSA-N 454.394 4.619 5 40 JJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 409152549 FOZHNNNSVYUYIL-INIZCTEOSA-N 469.567 4.948 5 40 JJBB O=C(CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1C(F)(F)F 3343713 LAYNFBOWEURENF-UHFFFAOYSA-N 453.398 4.549 5 40 JJBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 8831051 OXFDDYYKYJZKSR-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCCc2ccccc21 9096959 PPWGTWZWFZBGHD-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB Cn1nc(-c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O 9191274 GRKYAVDSLFXMSU-UHFFFAOYSA-N 454.530 4.968 5 40 JJBB COc1cccc(N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2nc3ccccc3s2)c1 12512446 ZBILTCODBLOJBO-UHFFFAOYSA-N 464.503 4.999 5 40 JJBB Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n2)cc1 12536540 AJLFMBQGYLCQBO-OAHLLOKOSA-N 461.444 4.855 5 40 JJBB CCOc1c(Br)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC 13930371 UCMTXASTOOVSCT-CHHVJCJISA-N 481.686 4.763 5 40 JJBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 14271222 WUBALEFXTZXVFG-UHFFFAOYSA-N 452.492 4.576 5 40 JJBB CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nc(=O)c12 16091237 HPZGMJHEMIKOHM-NSHDSACASA-N 460.581 4.829 5 40 JJBB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1C 408651647 NRMBJCHUGNGUAP-JOCHJYFZSA-N 472.497 4.658 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3ccccc3c2=O)c(C)c1 10211318 FZARWSFDIFWXIN-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269941 IYCXNKRNGSYNGT-UHFFFAOYSA-N 472.876 4.994 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409011427 NIVGEDKOLYVFGD-LPYMAVHISA-N 491.475 4.805 5 40 JJBB C[C@@H](Oc1ccc(Br)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9532878 PDRFKMVXANIGPN-MRVPVSSYSA-N 451.170 4.921 5 40 JJBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223835867 NLOZAJLFEJUNPM-CQSZACIVSA-N 484.405 4.688 5 40 JJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 408907788 RWNHDZGIOOVSFK-VGOFMYFVSA-N 451.504 4.664 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20258381 SWTCBMSPJUGPRW-UHFFFAOYSA-N 472.505 4.580 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222907509 ZGPWQMZYWJIUHC-CQSZACIVSA-N 466.365 4.776 5 40 JJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223272228 HYNDWSOPHDSHNE-JOCHJYFZSA-N 471.623 4.859 5 40 JJBB O=C1N/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 408932378 WKSUYOGSYHWPFB-BKUYFWCQSA-N 463.877 4.920 5 40 JJBB O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c3)o2)cc1 3093296 XJGBRBRBAGSJMT-UHFFFAOYSA-N 456.374 4.937 5 40 JJBB Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-] 4112130 DUCMSZNCDCPWHI-UHFFFAOYSA-N 491.525 4.959 5 40 JJBB COc1cc(C(=O)OCC(=O)Nc2ccccc2F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9166709 MQWLJDFIOLVEEY-UHFFFAOYSA-N 474.828 4.984 5 40 JJBB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC(F)F 12751963 HXESUDVXBWEVRK-LBPRGKRZSA-N 463.462 4.834 5 40 JJBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)Oc1ccccc1Cl 13870864 IFHXSYDQZZRHOK-CYBMUJFWSA-N 461.931 4.730 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC 409354641 AQBRJASPSDUFGS-YBFXNURJSA-N 490.921 4.965 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 3668381 GOLRPYWOPDWENP-GMMLXXJASA-N 468.509 4.651 5 40 JJBB COc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 9301392 WCORTXUVCRSBRY-YCRREMRBSA-N 474.951 4.907 5 40 JJBB CCc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)nc2c1 13685877 KMSZOHRUJLUOEF-UHFFFAOYSA-N 488.500 4.760 5 40 JJBB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272600 YSSVDPFRJHLNBW-UHFFFAOYSA-N 462.437 4.631 5 40 JJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222566099 AGTYTJNLJDVIRE-AUSIDOKSSA-N 471.623 4.593 5 40 JJBB CCOc1ccccc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 408604473 JSBMFDGNIDWYTG-ACCUITESSA-N 467.478 4.877 5 40 JJBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1C(C)C 409340121 QTKNCJUSZIDKDR-BENRWUELSA-N 494.504 4.506 5 40 JJBB Cc1ccccc1Oc1cc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1 8682563 JQOWKNYIXKDGHM-UHFFFAOYSA-N 453.455 4.836 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 17969974 BNRPMTUMQDZPAK-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB Cc1cc(C)cc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 19927404 TUGLVJPJPXCCRT-UHFFFAOYSA-N 478.324 4.911 5 40 JJBB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 409189150 DJKXBEVNGHKMGA-UNOMPAQXSA-N 478.844 4.821 5 40 JJBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1c2ccccc2Cn2c1nc(=O)c1c3c(sc12)CCCC3 3205602 OBZDXLXCIFJOMH-HXUWFJFHSA-N 457.511 4.622 5 40 JJBB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])c4cnccc34)cc2)cc1 9128746 MWZAUZPHBNQJQK-UHFFFAOYSA-N 492.513 4.719 5 40 JJBB Cc1cc(C)n2c(Br)c(CSc3nc4cc([N+](=O)[O-])ccc4s3)nc2n1 9144933 PLOCOPDFPSINLL-UHFFFAOYSA-N 450.343 4.919 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060412 SHJFILJUMHSTBW-FGZHOGPDSA-N 455.474 4.576 5 40 JJBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20177037 WDBZGIUCTWKBJG-UHFFFAOYSA-N 486.532 4.970 5 40 JJBB CC(C)N(C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C 25390232 RDRWLQRRLMEOEY-UHFFFAOYSA-N 488.393 4.742 5 40 JJBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc13)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103954881 VFROVPQNBYBLSL-ZCYQVOJMSA-N 462.465 4.531 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 214658496 BRJNSXBYMAGEMT-UDWIEESQSA-N 479.470 4.538 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225037283 RTYPWUDFGFISML-QHCPKHFHSA-N 451.567 4.702 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225519477 SRVCBDYTMLGKRZ-DQEYMECFSA-N 499.552 4.861 5 40 JJBB Cc1nnc(NC(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)s1 643587382 DFCBFQYORFPYSQ-RBUKOAKNSA-N 496.593 4.728 5 40 JJBB CC[C@H](C)c1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 820392 AHVXIXALYWIBIE-BXKMTCNYSA-N 471.513 4.954 5 40 JJBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCCCC1 1900461 TVIAZTZYEVPNEV-RPLLCQBOSA-N 486.572 4.874 5 40 JJBB biogenic Cc1nc2ccccc2c2c(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)c3ccccc3n12 11238596 QJUWLHXNYXOIRW-UHFFFAOYSA-N 470.554 4.741 5 40 JJBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 27020478 OZIQJYZSSGJEQV-HXUWFJFHSA-N 498.417 4.610 5 40 JJBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745672 KLNXTPKPBCUQLD-ODLFYWEKSA-N 478.442 4.927 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225495137 PZRJMERRXBVPGR-CVDCTZTESA-N 471.623 4.859 5 40 JJBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)o2)c([N+](=O)[O-])cc1C 409366179 ZPEOGWWQECDKLT-MTJSOVHGSA-N 483.546 4.766 5 40 JJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc3c(c2)OCO3)cc1 2245716 ZAGNLFSODBSMBL-UHFFFAOYSA-N 489.535 4.737 5 40 JJBB COc1ccc(NS(=O)(=O)c2ccc(NCc3c4ccccc4nc4ccccc34)cc2)nn1 5464570 KVWANGRNPHZGOZ-UHFFFAOYSA-N 471.542 4.600 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 102572579 ZHSXWBZNQBSUEY-UKILVPOCSA-N 481.512 4.965 5 40 JJBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc([N+](=O)[O-])o1)c1c(C)nn(-c2ccccc2)c1O 108423451 YUHDOLLBMYITAC-UHFFFAOYSA-N 471.473 4.767 5 40 JJBB CCOC(=O)c1ccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c([N+](=O)[O-])c1 408571697 CSLHZOSMYQBGOZ-UHFFFAOYSA-N 473.938 4.602 5 40 JJBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])o3)S2)cc1 408773206 HIHXPEGPPUYYSC-ZRELAVNMSA-N 466.475 4.925 5 40 JJBB CCc1cccc(CC)c1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409130082 LTSREAFIRYIARB-UHFFFAOYSA-N 467.547 4.554 5 40 JJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409064060 BJEPHPXAJULGKI-VRCTWVPOSA-N 479.514 4.504 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9289753 BFURDYFRTOVTEE-ZLNRFVROSA-N 493.903 4.698 5 40 JJBB CCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nnc1-c1ccc(Cl)cc1 9545582 ZZUZWXBMGFUIJN-UHFFFAOYSA-N 461.931 4.574 5 40 JJBB COc1ccc(Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3[N+](=O)[O-])cc2)cc1 12546075 SLGUNOFIXMGXSQ-UHFFFAOYSA-N 453.451 4.625 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)cc1 12604416 JGSOTQTVIHHFMI-UHFFFAOYSA-N 480.933 4.987 5 40 JJBB C[C@H]1C[C@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13590356 MJCNBFNMWQPNBC-HJPURHCSSA-N 460.446 4.646 5 40 JJBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 14270302 YRKCGXCUMJQDEI-UHFFFAOYSA-N 462.487 4.798 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] 14273882 AJVVWBFXMCYTRM-UHFFFAOYSA-N 490.497 4.729 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102759796 JQULETKQGCNLTD-NJYVYQBISA-N 499.401 4.545 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2C)cc1 409027379 BTHAMEVFXHBEMN-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409391476 ZTHSPTLFEMFGPL-UHFFFAOYSA-N 491.928 4.525 5 40 JJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2339775 LUSJGGGCIISTPW-UHFFFAOYSA-N 484.512 4.994 5 40 JJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 8835493 OKJQDHZGUQNLCA-UHFFFAOYSA-N 476.308 4.753 5 40 JJBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 9441376 QLUKHHYIHQKVCK-INIZCTEOSA-N 454.792 4.534 5 40 JJBB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 35351685 WUZZRINDAXLSIP-LLVKDONJSA-N 466.350 4.813 5 40 JJBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCCC2)c(C(C)(C)C)c1 226071476 RXBWYFHMLPDSEM-JOCHJYFZSA-N 457.591 4.842 5 40 JJBB CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2634712 BCWITHZAZVAJSH-CQSZACIVSA-N 455.492 4.690 5 40 JJBB aggregator CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC 9487481 RXGPWAZNXKNXFK-SQJMNOBHSA-N 498.967 4.849 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] 16693019 IWVAOZJVDVLQGH-UHFFFAOYSA-N 450.929 4.692 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1 102730083 CJNZCBZZPHBHJA-SDHSZQHLSA-N 481.464 4.906 5 40 JJBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224823148 OWLLETOGPOXOJR-AREMUKBSSA-N 473.573 4.610 5 40 JJBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409217219 OCGOLTUFOJXWDD-JJFYIABZSA-N 493.541 4.833 5 40 JJBB CCCCOCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 9561714 DJUXHVLBFJGHKY-HXUWFJFHSA-N 464.360 4.834 5 40 JJBB CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 9805612 MGMBPDQJJPDVOJ-UHFFFAOYSA-N 473.558 4.871 5 40 JJBB Cc1nc(-c2ccc([C@H](C)Nc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)cs1 24828473 MCSXNUSHGCESHP-HNNXBMFYSA-N 472.592 4.984 5 40 JJBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808646 PMZFVCYLBMROGR-UWUFEASWSA-N 479.895 4.763 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]12 408684271 NFGRCJVDQHPFDH-YXKFXFPPSA-N 488.327 4.656 5 40 JJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N[C@H]1CCCc2ccccc21 8687216 MVABDODDEINGAW-DEOSSOPVSA-N 459.502 4.558 5 40 JJBB COc1c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc2ccccc2c1Br 9064815 ZYNXLSBNRHLXSX-UHFFFAOYSA-N 460.309 4.646 5 40 JJBB O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 408664569 RHMWFSUVHWSYRE-UHFFFAOYSA-N 487.818 4.558 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408682491 JHPRRCUINVBKMU-MOPGFXCFSA-N 488.327 4.800 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408684455 NJKUOSYMBRZZAF-VMDGZTHMSA-N 490.343 4.880 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2Cl)cc1 409311299 FUVGFMCRTDJVEP-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB COc1ccc(C(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccc(OC)c(OC)c2)cc1OC 1212076 VDXCNKFJWPJCQL-MDWZMJQESA-N 478.501 4.548 5 40 JJBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1 9971848 GLLXPMANIHGEQG-UHFFFAOYSA-N 454.571 4.802 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13540324 WYCBNYHPRJBYPC-QRXMYIDTSA-N 485.565 4.722 5 40 JJBB Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2c(C)nc3ccccc3c2C1=O 13757841 IRGMPHJOFPMHKL-UHFFFAOYSA-N 481.464 4.917 5 40 JJBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cc2[N+](=O)[O-])C1 15910183 LESBKKJJCFNPQV-AWEZNQCLSA-N 479.505 4.941 5 40 JJBB Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(Cc4ccccc4Cl)c3nc12 101147220 AXGVEKVTMNLRGB-GOSISDBHSA-N 497.986 4.630 5 40 JJBB CC1(C)C[C@]2(C)C[C@@](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)[C@@]13O[C@@]1(CC(C)(C)CC3=O)C2 103750282 SBUQBCVVCLTAGI-WSOYEBOPSA-N 486.521 4.916 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 409208195 AECIBNFEHURFSJ-APSNUPSMSA-N 466.302 4.885 5 40 JJBB O=[N+]([O-])c1cc([C@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)ccc1Cl 855158 KBTLVKZUCZYPAQ-OAQYLSRUSA-N 460.964 4.936 5 40 JJBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C[C@H]1COc2ccccc2O1 2639298 YDLIWWDRBXKCBN-KRWDZBQOSA-N 456.882 4.768 5 40 JJBB Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cccc1[N+](=O)[O-] 14410895 PKBKMYVOWSFRKW-VWLOTQADSA-N 461.543 4.972 5 40 JJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 15912560 WNEPWIUMRXSDBU-UHFFFAOYSA-N 452.323 4.911 5 40 JJBB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 17180187 MRYXFCVUOAJTHD-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc3cc([N+](=O)[O-])ccc3[nH]1)CC2 40157222 QVAVYXXLHUCSBU-HSZRJFAPSA-N 463.515 4.943 5 40 JJBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1Cl 408559088 VITAHQOLHRMBDO-UHFFFAOYSA-N 496.328 4.963 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408703267 QJBDAFPEMZZZKD-UHFFFAOYSA-N 472.350 4.719 5 40 JJBB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2442848 GJGQAIHAJFQMCV-UHFFFAOYSA-N 474.900 4.889 5 40 JJBB CC[C@@H]1CCc2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c5cnccc45)CC3)cc2C1 9339426 GQAGPWZNVXYGBI-MRXNPFEDSA-N 450.564 4.682 5 40 JJBB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)s1 39768289 BDJNVYGFPLLOGK-UHFFFAOYSA-N 465.516 4.988 5 40 JJBB COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 40146057 QCVWDMZDFUIUPN-ZZXKWVIFSA-N 474.223 4.878 5 40 JJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 59503344 GULXCRZCHVOWIN-ZRDDSIGQSA-N 465.292 4.778 5 40 JJBB CN1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566221 NHLBAOJETZZZMU-WQWSHVPRSA-N 481.911 4.580 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 409151210 GVRFGJGXFWCJJR-NVNXTCNLSA-N 496.726 4.686 5 40 JJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 409174044 QORUYGXSYLHULO-UHFFFAOYSA-N 480.329 4.884 5 40 JJBB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2753120 LIRQZSWZILYEAG-UHFFFAOYSA-N 450.403 4.952 5 40 JJBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 9461582 OAXMUYLJVVTFJZ-UHFFFAOYSA-N 455.518 4.724 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 13401236 XWZLVIWJISYAMK-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 20891362 AWMPFLAJZJVQJO-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851740 CIEPJQVBYARERO-ANNHOSHMSA-N 485.565 4.722 5 40 JJBB O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59422862 FGGGFBJYLHOJOA-JMIUGGIZSA-N 491.437 4.963 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 101121632 XHJPICMRXHBYBX-HKBOAZHASA-N 484.295 4.953 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 835192 QXVOZAPZZHOACE-UHFFFAOYSA-N 461.499 4.582 5 40 JJBB O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 2347269 NXVUVUCUPRUPDG-UHFFFAOYSA-N 486.575 4.535 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 2423478 HMXONFXYOIGCCF-IBGZPJMESA-N 481.258 4.802 5 40 JJBB COc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3C)C3CCCCC3)n2)cc1 9426400 KXSGDSNFMSCDTF-UHFFFAOYSA-N 450.495 4.937 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1Cl 13803851 WHVBULNDXWUSGW-QHAWAJNXSA-N 484.295 4.953 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 102765709 BZPAHXGGPZOEPF-RJGXRXQPSA-N 477.904 4.916 5 40 JJBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138061 CMSGLDKPEQOAIW-PONJGIIJSA-N 470.909 4.867 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223943142 WGWCPKQMFCIHKP-HNNXBMFYSA-N 478.376 4.920 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408682109 IVUPDHHWORSRSH-MOPGFXCFSA-N 488.327 4.800 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 863690 HZCAKULIJCEXDV-UHFFFAOYSA-N 461.503 4.587 5 40 JJBB O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] 9010510 MVLCCPRJLITXFH-UHFFFAOYSA-N 475.486 4.628 5 40 JJBB Cc1ccc(NC(=O)COC(=O)CSc2cc(C)c(Br)cc2C)c([N+](=O)[O-])c1 12624400 SIOCQMSDKDIOAD-UHFFFAOYSA-N 467.341 4.557 5 40 JJBB COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 13880933 PFIVPWZDNNOSNO-PXNMLYILSA-N 497.312 4.690 5 40 JJBB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 13894886 NZJBAEOQXKHQMQ-UNOMPAQXSA-N 478.844 4.821 5 40 JJBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)ccc12 16042299 IVWKIEICWULUGC-LJQANCHMSA-N 487.574 4.815 5 40 JJBB biogenic Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976962 VGHAIKMKLKYOCD-UHFFFAOYSA-N 497.916 4.794 5 40 JJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N[C@@H](C)c1ccccc1 9295460 WSLVATVGVHPJDS-BYIUCRAPSA-N 451.479 4.717 5 40 JJBB CC(=O)N1C[C@H](C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)Oc2ccccc21 24478954 NDIXGDSQUWQXGX-XMMPIXPASA-N 450.498 4.702 5 40 JJBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 103537603 LORZOHOGGFVLCX-UKILVPOCSA-N 462.465 4.531 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 216384950 JPWYNZFJLPLLIQ-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223030553 AKHSZPQFZBLWQO-DLBZAZTESA-N 478.014 4.813 5 40 JJBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223287080 NAHCXLADPQVWHM-HNNXBMFYSA-N 466.365 4.778 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 13510953 CZNJQKQINHANMF-UHFFFAOYSA-N 455.496 4.840 5 40 JJBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14240988 FHYSKBIQVDKNQN-KUHUBIRLSA-N 486.912 4.747 5 40 JJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 39741858 VFXFYILATXHMJB-UHFFFAOYSA-N 469.413 4.896 5 40 JJBB O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1cccnc1)c1ccc(Cl)cc1Cl 40122710 JFBHDEIWBJRJCU-UHFFFAOYSA-N 487.343 4.980 5 40 JJBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102758497 OFCILHBPDUWKEH-XPWALMASSA-N 477.904 4.862 5 40 JJBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223287019 NAHCXLADPQVWHM-OAHLLOKOSA-N 466.365 4.778 5 40 JJBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccc(Cl)cc3)nc2N1 940811 ZFPKNGONRIBNFL-OAQYLSRUSA-N 487.907 4.829 5 40 JJBB CCCOc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9633088 AISQWBOXTWPUCS-AWEZNQCLSA-N 496.438 4.936 5 40 JJBB Cc1cccc(-c2noc(-c3ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)n2)c1 15833767 YWRRGCYTIHDDAU-UHFFFAOYSA-N 455.518 4.942 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c(C)c1 28302776 INUVNCLIBXZLHO-UHFFFAOYSA-N 460.515 4.642 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224353923 FXSILPCCDKHYNG-HNNXBMFYSA-N 466.365 4.634 5 40 JJBB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 408764507 UGQRCAOVXQFTEL-NDENLUEZSA-N 493.269 4.921 5 40 JJBB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 1875623 WQDJMDYFUORZPD-HXUWFJFHSA-N 456.882 4.715 5 40 JJBB CSc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3256583 VIIZRUGTVPPBQV-SFHVURJKSA-N 457.895 4.902 5 40 JJBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 5949395 MFFGWDLEHOBAFF-UHFFFAOYSA-N 492.513 4.943 5 40 JJBB Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)no1 6088855 BQXJAMBDPSLSPA-UHFFFAOYSA-N 457.493 4.559 5 40 JJBB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8743490 LAUMAPRSWPCLLA-OAQYLSRUSA-N 482.489 4.823 5 40 JJBB COc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2Cc2ccco2)c1 9506761 CGVQIFGMORLWKO-UHFFFAOYSA-N 499.936 4.887 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 12550930 LHZLFTNPRAFMKL-QFIPXVFZSA-N 470.464 4.920 5 40 JJBB Nc1ccc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] 12653627 CFXZVGIRFJZKMT-VWLOTQADSA-N 494.507 4.865 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223986814 JOZJHZXSZYEJLJ-DQEYMECFSA-N 498.568 4.916 5 40 JJBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408570230 ZXLCVJATWVFLRO-PZFKOMAXSA-N 479.536 4.941 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C 2762231 UMKOPHWMAHLTTO-UHFFFAOYSA-N 473.551 4.765 5 40 JJBB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3430986 LBPKATBYEXBBOD-UHFFFAOYSA-N 475.457 4.738 5 40 JJBB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 13842704 MKRKWCVRDMIDSK-UHFFFAOYSA-N 455.540 4.639 5 40 JJBB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278446 YNAPNZWVVHXULQ-UHFFFAOYSA-N 494.511 4.571 5 40 JJBB O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(C(F)(F)F)c1 52521497 XQSWZHCYKKDDLW-UHFFFAOYSA-N 491.388 4.611 5 40 JJBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Br)cc1 408929473 JYVKDMOWSRWNDY-WQRHYEAKSA-N 468.263 4.710 5 40 JJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 409095192 HMMQKSJPHLWTHV-BKUYFWCQSA-N 493.497 4.929 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1C1CCCCC1 2307448 RXQQBTIFTIQOIB-UHFFFAOYSA-N 453.502 4.577 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1-c1ccccc1 2321142 COTAPPQQFXOOHW-UHFFFAOYSA-N 468.860 4.834 5 40 JJBB O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 12651662 PNYZVCWSSYSVFV-UHFFFAOYSA-N 472.295 4.706 5 40 JJBB O=C(CCCOc1ccc(Cl)cc1Cl)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13130724 ZWRLCPVTVIMKIZ-UHFFFAOYSA-N 452.250 4.854 5 40 JJBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 13811063 BFURDYFRTOVTEE-VJBWXMMDSA-N 493.903 4.698 5 40 JJBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc([N+](=O)[O-])cc1 14273611 SKAPEMIBZQJSDN-UHFFFAOYSA-N 450.926 4.823 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 101116216 BOPVQJYHDXWSQO-BDTNDASRSA-N 463.877 4.608 5 40 JJBB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409191598 IVFBZCPZSHXGOH-CYYHYYEZSA-N 470.437 4.567 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 8878573 CMSGLDKPEQOAIW-GDLIHOIBSA-N 470.909 4.867 5 40 JJBB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13147718 AMCIKARHNAFGER-CQSZACIVSA-N 480.575 4.557 5 40 JJBB O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCN(Cc2ccccc2)CC1 13810178 HEDWEZLKHREXHS-KTKRTIGZSA-N 488.500 4.653 5 40 JJBB COc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22710244 FXPJYZNWUCKLMS-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 34931166 RPOAVKSMTLGPDW-UHFFFAOYSA-N 479.356 4.613 5 40 JJBB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409188620 IBNFWNIOFWIMRA-WYVXAZLOSA-N 484.464 4.875 5 40 JJBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 409189173 DXCVLMYNSUFYMN-KMEREPAUSA-N 470.437 4.567 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2806743 CMGFYKYEDUPFET-UHFFFAOYSA-N 453.476 4.646 5 40 JJBB O=C(COC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)Nc1cccnc1Cl 3280720 SZTRYZAQQRAHNW-UHFFFAOYSA-N 461.858 4.729 5 40 JJBB Cc1oc(-c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 8742412 FWXHCFOUJQPGFZ-UHFFFAOYSA-N 451.866 4.930 5 40 JJBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 9233967 JRUJKLTUKWOZNI-UDWIEESQSA-N 479.470 4.538 5 40 JJBB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl 9715129 GPMDDSNCFQFJMP-UHFFFAOYSA-N 469.910 4.879 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2C)cc1 10315078 IOLOZPOFXTYVQE-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)cc1 12639724 LRFNDFZMZFVAEW-UHFFFAOYSA-N 452.927 4.642 5 40 JJBB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 14358050 UXXALTPKEQBLRA-UHFFFAOYSA-N 453.539 4.569 5 40 JJBB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1 8722378 OZZKAMJGKRDEEH-ZSEKCTLFSA-N 463.515 4.854 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 9087934 RYAHVHBGHKSZTJ-HFASVGIHSA-N 491.503 4.968 5 40 JJBB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 9128268 CPGIYOONHFXKFA-MRXNPFEDSA-N 460.519 4.665 5 40 JJBB CCCCCCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc2c1=O 9545918 GLIZZLSSVPGXOF-UHFFFAOYSA-N 484.578 4.933 5 40 JJBB O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 12561875 HAAFUWWMWWUHJU-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB COc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1[N+](=O)[O-] 12619078 ZJUGDFDTRUEBBD-WJDWOHSUSA-N 469.247 4.970 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2C)c1C 13401217 NMRMPHWWVUTAFH-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1 16995462 VIIUZRFDNPKPBJ-JGPAKYNOSA-N 468.897 4.519 5 40 JJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 409220460 AABDACXQJNGNDK-UDWIEESQSA-N 474.429 4.697 5 40 JJBB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2092663 MXCPFMGIQNDPFW-QFIPXVFZSA-N 461.470 4.565 5 40 JJBB biogenic COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 8926518 IKOQQCBRBPEWJP-UHFFFAOYSA-N 467.503 4.873 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9159261 XNDHHGZUAKIRSO-HSZRJFAPSA-N 474.444 4.637 5 40 JJBB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9427536 IPWWDHAQYALQAN-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2[C@H]1c1ccccc1[N+](=O)[O-] 9638140 XCMWQNRBZCYPRA-NRFANRHFSA-N 488.529 4.851 5 40 JJBB O=[N+]([O-])c1cccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])c(NC5CC5)c4)CC3)n2)c1 16399990 PXFWZSJWEZKSHR-UHFFFAOYSA-N 466.523 4.527 5 40 JJBB Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408648069 XELIOIBYLMYVNJ-UHFFFAOYSA-N 491.500 4.905 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409193509 DYQMMRBASLCMJL-KGENOOAVSA-N 473.485 4.665 5 40 JJBB C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3293649 WPACZVNEZPGBQX-NSHDSACASA-N 476.308 4.665 5 40 JJBB aggregator Cn1c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc2c1=O 8937429 FBNCTOLGZOAKFL-FQEVSTJZSA-N 480.933 4.967 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 13576480 LHXBEALTCFEOFJ-RZTXVSJASA-N 461.905 4.624 5 40 JJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCNCC4)c([N+](=O)[O-])c3)o2)cc1Cl 20154385 YGZINHWUYKAVNM-RMKNXTFCSA-N 466.925 4.878 5 40 JJBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222826347 YDHIPTWYTHPEJN-MRXNPFEDSA-N 478.014 4.813 5 40 JJBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Br 408575654 WSTZRTBQUBKPOH-SFHVURJKSA-N 463.357 4.765 5 40 JJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 409182846 OPAIUXYLPXZGGR-UHFFFAOYSA-N 487.424 4.765 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2664100 QAXXMRDSSYHUBC-TYZQSYOASA-N 468.897 4.634 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 9540214 QKQKSJYOKGUBBK-UHFFFAOYSA-N 480.933 4.737 5 40 JJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14271074 ULFIEZWICRGPHF-UHFFFAOYSA-N 460.855 4.852 5 40 JJBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410836 ACZSFFXOSQPFKY-JXMROGBWSA-N 453.882 4.997 5 40 JJBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 21578219 VUEJLCFQRMRORB-UHFFFAOYSA-N 465.337 4.603 5 40 JJBB O=C(Nc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 657907 XZEQIZPZHZZBSU-MOSHPQCFSA-N 466.291 4.767 5 40 JJBB O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)Nc1ccccc1F 881654 YJBHKGYFQGPQEN-UHFFFAOYSA-N 493.520 4.684 5 40 JJBB CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 1880634 RPQMKUDSTOQSTL-IBGZPJMESA-N 462.487 4.501 5 40 JJBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 2731037 URTQYBTXYZICLC-NSHDSACASA-N 479.353 4.742 5 40 JJBB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2818958 FWIHHYSTHQMYSL-ODLFYWEKSA-N 478.844 4.821 5 40 JJBB Cc1cc(C)nc(SCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)n1 8686545 OCGLFPLWTSKNRO-UHFFFAOYSA-N 468.564 4.819 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(C)ccc2C)cc1 19856328 XZVAXMMNXSWYFG-UHFFFAOYSA-N 467.547 4.662 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223512370 DCPUYYXTJLDDLA-PKTZIBPZSA-N 457.515 4.818 5 40 JJBB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833007 KCKQVKIZPMTNCP-UHFFFAOYSA-N 499.337 4.753 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1Cc1ccc2c(c1)OCO2 8871120 HKKUPXIEGPKIRD-UHFFFAOYSA-N 481.899 4.714 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 9289038 YEYIJQJCSRTPRF-ZEQRLZLVSA-N 469.501 4.885 5 40 JJBB Cn1c(SCC(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)nc2ccccc21 9493849 YOUCMBNVVQIRSW-UHFFFAOYSA-N 487.493 4.953 5 40 JJBB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 9512292 SZOHBMFSFKWOJO-UHFFFAOYSA-N 474.340 4.546 5 40 JJBB Cn1ccnc1[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 16263048 DCWZNQIGWYFQRA-IBGZPJMESA-N 481.862 4.708 5 40 JJBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1 95957058 WOQJAGXVEZSCFO-TZIWHRDSSA-N 462.531 4.650 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 214471219 AUKIUBOWBLFQDP-UDWIEESQSA-N 463.471 4.838 5 40 JJBB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1C=Cc3ccccc3[C@@H]21 251923443 BQRZUJOAIBJIQW-KJNKWSTFSA-N 493.519 4.550 5 40 JJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 409319808 MFGMWPJSUNCDPG-CLTKARDFSA-N 478.686 4.961 5 40 JJBB Cc1csc(Sc2ccc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)cc2[N+](=O)[O-])n1 9952748 VOALGMWZBYEUHL-UHFFFAOYSA-N 470.484 4.680 5 40 JJBB CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088049 YAKOGROUEMGPTQ-UHFFFAOYSA-N 480.468 4.963 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccccc1 205690038 OSPSSKVFWXHJAX-XSFVSMFZSA-N 458.426 4.557 5 40 JJBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 409116275 MCWOKAVCVOULGA-BKUYFWCQSA-N 493.497 4.929 5 40 JJBB COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N2CCCCC2)cc1 1147902 HGNJNWVFPDTBRL-OQKWZONESA-N 475.501 4.647 5 40 JJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1 2352636 PXEVLYNYEGANIU-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 8827434 FPJYQWHUVJODCI-INIZCTEOSA-N 484.287 4.670 5 40 JJBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cn1 13786467 OVQWWVROWLHQAC-IBGZPJMESA-N 451.797 4.639 5 40 JJBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 14272520 UBDQTTFVXJRNJZ-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB COc1ccc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)cc1[N+](=O)[O-] 98009181 PJLXJMSOSVKRSB-RAXLEYEMSA-N 457.851 4.850 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100906637 SUFMMOGATWGVPE-CTNGQTDRSA-N 481.295 4.684 5 40 JJBB C[C@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)C[C@H]2C=C[C@H]1C2 108588369 VPQBPQZRXJWCOQ-NPALWHDTSA-N 475.530 4.906 5 40 JJBB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 876200 WSSIYVQWAVFKRI-KRWDZBQOSA-N 487.969 4.725 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 6157209 OOJUJGSIAQLHSH-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB CON(C)S(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3c3ccccc23)ccc1Cl 9634715 CQABZGOLYSOLIS-UHFFFAOYSA-N 470.934 4.580 5 40 JJBB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 14270390 XRWXYFZTOPSXDB-UHFFFAOYSA-N 452.330 4.519 5 40 JJBB CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 33076998 IKXNPESEMBYFRN-UHFFFAOYSA-N 468.579 4.639 5 40 JJBB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 59489088 LNUXZJDIZUVCQT-QFIPXVFZSA-N 455.392 4.871 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409232622 AMHNRAOZASDGRB-YBFXNURJSA-N 479.876 4.933 5 40 JJBB CCOc1ccccc1NC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 6631559 JJIJRJFBWODUSP-UHFFFAOYSA-N 483.502 4.655 5 40 JJBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8832054 CWTPHMAORKTXBA-UHFFFAOYSA-N 460.515 4.960 5 40 JJBB Cc1csc(Sc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])n1 9884105 VIOVKFJGOLJZLQ-UHFFFAOYSA-N 456.549 4.600 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10335155 NDXRXDXPSWQXJM-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 19927890 VFCQBGNUIMCRMM-UHFFFAOYSA-N 468.720 4.527 5 40 JJBB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 20632542 WMRLSZDGMOULMJ-HNNXBMFYSA-N 465.922 4.891 5 40 JJBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)ccc1[N+](=O)[O-] 21576181 LTFGVNSTARGPKF-UHFFFAOYSA-N 484.512 4.864 5 40 JJBB CN(CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl 32860115 RPBAYEQRXACRFU-QFIPXVFZSA-N 451.910 4.847 5 40 JJBB Cc1cc(C)c(-c2csc(NC(=O)COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 2645887 QTIFXJYNUSXHSN-RMKNXTFCSA-N 451.504 4.839 5 40 JJBB COc1cccc(CNC(=O)c2cc3c4ccccc4n4c(=O)c5c(OC)c(OC)ccc5c(n2)c34)c1 8877999 CHYJHNOVSSWYRS-UHFFFAOYSA-N 493.519 4.548 5 40 JJBB biogenic O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1CCN(C(=O)c2ccc(F)cc2)CC1 11283394 DXRIQMHQYKOZQP-UHFFFAOYSA-N 459.473 4.681 5 40 JJBB CN1CCN(c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4sccc4n3)cc2)CC1 148235801 ZRFMQVNLVUOVKB-UHFFFAOYSA-N 462.535 4.887 5 40 JJBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222755973 RHBYOOZXIQEJDD-SANMLTNESA-N 491.563 4.689 5 40 JJBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 409212915 SEFAOVFUMOVDBJ-VIZOYTHASA-N 496.726 4.686 5 40 JJBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 10010299 SIIFBCTUZHRVSK-WEVVVXLNSA-N 484.925 4.637 5 40 JJBB COCCCn1c(SCC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)nnc1-c1ccc(Cl)cc1 13146211 HFZQYFMMUPVUMF-UHFFFAOYSA-N 489.985 4.891 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 16399706 JDRWFWNHSBNALO-RMKNXTFCSA-N 464.469 4.740 5 40 JJBB O=C(CCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 22022796 ICDFGEKNUAADSO-UHFFFAOYSA-N 494.304 4.898 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 102765711 BZPAHXGGPZOEPF-XPWALMASSA-N 477.904 4.916 5 40 JJBB O=C(COc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 205682871 KNXJZWFAYYSUFE-HYARGMPZSA-N 489.509 4.849 5 40 JJBB CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9128789 WEAJHBGFRHFSRH-HXUWFJFHSA-N 475.497 4.961 5 40 JJBB O=C(Nc1ccccc1Br)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 13305434 QNHQHNWPICBPJY-ZHZULCJRSA-N 466.291 4.767 5 40 JJBB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13591228 GSCNTPJOYXKUDZ-HNNXBMFYSA-N 461.898 4.904 5 40 JJBB CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 14155543 QGIIPLNOBJSAMG-UHFFFAOYSA-N 467.547 4.608 5 40 JJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1OC 19358210 DBGARNXJEBCORF-INIZCTEOSA-N 463.490 4.745 5 40 JJBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 21579257 HPHLXBPAQXAGTN-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 31468798 WUXDHUZOQIRUOC-GOSISDBHSA-N 452.555 4.630 5 40 JJBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc13)CC2 223527023 NADRVDHTESLAFX-UHFFFAOYSA-N 487.537 4.681 5 40 JJBB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224605301 CYQFMPBZUAWNIM-XMMPIXPASA-N 483.634 4.737 5 40 JJBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225190638 SDXNUGALDRETHE-QFIPXVFZSA-N 455.530 4.533 5 40 JJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 409177577 AJPAMNFKWLOOBE-UHFFFAOYSA-N 470.359 4.771 5 40 JJBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412440 KKCIVGGCHQWBNG-UHFFFAOYSA-N 466.350 4.835 5 40 JJBB COc1ccc(C(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 604404052 AOODLARBLYUVKC-UHFFFAOYSA-N 494.503 4.879 5 40 JJBB biogenic O=C(NC[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8762815 CSXIPRMXWPTRKN-SXOMAYOGSA-N 486.572 4.879 5 40 JJBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2nnc3n2CCCCC3)c1 9128742 VELLKLUCGOMNHS-UHFFFAOYSA-N 474.443 4.649 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)cc1C 14155107 CEQKAXMLUNTXFE-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1C(F)(F)F 33158647 KYSFBZXHWPABBA-UHFFFAOYSA-N 462.384 4.537 5 40 JJBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1ccc([N+](=O)[O-])cc1 39767340 TZEOGBGCIBTUSE-UHFFFAOYSA-N 490.457 4.526 5 40 JJBB N=c1nc(Sc2ccc([C@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])ss1 59488709 BHTSEBGOUIPLBW-GOSISDBHSA-N 494.587 4.542 5 40 JJBB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106743223 NCQMBWGLWOFYLN-YVLHZVERSA-N 463.309 4.993 5 40 JJBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223808007 GIQUEUMQKHOHAR-IBGZPJMESA-N 469.607 4.613 5 40 JJBB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 6157272 NFVKMHVDEOSRJZ-UHFFFAOYSA-N 475.530 4.506 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@@H](C(F)(F)F)C1 9127072 DMZAMEGPYVDFER-GFCCVEGCSA-N 463.865 4.828 5 40 JJBB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1 9949354 HSSIZKDQLVPMEL-UHFFFAOYSA-N 466.548 4.797 5 40 JJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 9956893 NPCVHWDBZZCNAI-JIPXPUAJSA-N 489.524 4.719 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060432 HUYZBCQYFQRAAN-DHIUTWEWSA-N 469.501 4.885 5 40 JJBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 15913576 ATXGONRDNPKXOE-AREMUKBSSA-N 474.513 4.829 5 40 JJBB Cn1ccnc1Sc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-] 9157126 JDINAZIBAXVBDY-OAQYLSRUSA-N 461.503 4.839 5 40 JJBB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13577129 ZMJMBGRFSSLGSU-CYBMUJFWSA-N 467.861 4.526 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(F)F 106727411 ZOZDEIKJWOPWBA-YVLHZVERSA-N 450.419 4.831 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649483 DPTHZRGXNSZFHU-TUUBTQOTSA-N 465.292 4.692 5 40 JJBB COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409139016 LGOUPPAOTOAFPQ-WOJGMQOQSA-N 493.335 4.619 5 40 JJBB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1C 3360856 UJUKLHYXDLCPMZ-IBGZPJMESA-N 493.581 4.590 5 40 JJBB C[C@H](OC(=O)c1ccc(Br)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9166880 HZFWJTDQPDVVOA-VIFPVBQESA-N 482.337 4.726 5 40 JJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142802 ISIUAEXCYNWMDN-UHFFFAOYSA-N 451.479 4.598 5 40 JJBB C[C@H](OC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 21736621 BOCVGZOSNGOEFG-NSHDSACASA-N 484.266 4.715 5 40 JJBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223030665 AKHSZPQFZBLWQO-IRXDYDNUSA-N 478.014 4.813 5 40 JJBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1OC 229813010 KMDKBKFJBUMUOR-CBRSEMLDSA-N 456.498 4.600 5 40 JJBB CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1422928 QUFWRJRXMSGILR-SFHVURJKSA-N 482.345 4.865 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1C[C@H]1CCCO1 2252659 PIXAOHDDKKHQGG-CQSZACIVSA-N 466.328 4.769 5 40 JJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2422755 CGWZSACRXGCYBN-UHFFFAOYSA-N 467.451 4.729 5 40 JJBB COc1cc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c(C)cc1[N+](=O)[O-] 16043910 MIWYFSOHDNKCEJ-WANOEJIPSA-N 478.545 4.932 5 40 JJBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671718 RQSBYYIUFKZPIO-UHFFFAOYSA-N 474.498 4.988 5 40 JJBB Nc1ccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1[N+](=O)[O-] 40113256 GOSDGIQTSDCBJE-UHFFFAOYSA-N 450.442 4.825 5 40 JJBB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2Cl)n1 58009696 XCVKTECIUCIBJL-YCABEKBOSA-N 467.913 4.913 5 40 JJBB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)c2)c(C)c1 408647801 XMOZCEMKUNHLTA-HXUWFJFHSA-N 486.528 4.764 5 40 JJBB CCCCn1c(=O)nc2n(-c3ccc(Br)cc3)c3cccc(Cl)c3cc-2c1=O 2214470 MIIFWADPBKWOLY-UHFFFAOYSA-N 458.743 4.868 5 40 JJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 2225168 IYMUKTDMLCYSDA-OAQYLSRUSA-N 453.410 4.901 5 40 JJBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 2629923 QOCZERNWJJJMIC-UHFFFAOYSA-N 451.435 4.806 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] 9192659 UQVGVFNQPGYPPB-XNTDXEJSSA-N 470.529 4.518 5 40 JJBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1cccc2ccccc12 16545003 RAYBCVJZMHJGAP-UHFFFAOYSA-N 454.489 4.681 5 40 JJBB Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)cc1C 19856299 WZWCLGOQKVOWHP-UHFFFAOYSA-N 467.547 4.739 5 40 JJBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)(C)C)ccc1[N+](=O)[O-] 22257385 AJCIDMQYOZRPDF-UHFFFAOYSA-N 458.902 4.813 5 40 JJBB Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408667737 KHSDWVLSKUHCAP-UHFFFAOYSA-N 477.473 4.596 5 40 JJBB COC(=O)C(=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC 409079945 KHPVRNCZCISUMT-UHFFFAOYSA-N 489.786 4.797 5 40 JJBB CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 1905810 YVCDCXUEPGGYPN-FCHUYYIVSA-N 495.488 4.655 5 40 JJBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2731169 UNLPHLPCAMRPRT-LLVKDONJSA-N 476.925 4.536 5 40 JJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ncnc2sc3c(c12)CCCC3 12311337 AFVLGIJADVEUDP-UHFFFAOYSA-N 490.632 4.804 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22748102 GRHJIBOOSBOMRK-UHFFFAOYSA-N 489.768 4.518 5 40 JJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409213362 SXMQPDSPEHIBFL-SLDJAQPHSA-N 470.503 4.552 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(I)cc1 3162282 QHGRDGNTQJLIIT-UHFFFAOYSA-N 454.098 4.919 5 40 JJBB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 9318199 ZWOXZKGDNMIASH-LJQANCHMSA-N 451.822 4.709 5 40 JJBB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 9508121 VVOJEGCSDCTITR-MRXNPFEDSA-N 490.541 4.653 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccc(C(C)C)cc3)cc2)cc1[N+](=O)[O-] 12568705 LBKVYHKJMGMKOA-UHFFFAOYSA-N 481.574 4.800 5 40 JJBB COc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13101639 KOAPWOAIDRBQOK-UHFFFAOYSA-N 495.875 4.722 5 40 JJBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16400184 HAFZNQIHERVGFB-FPYGCLRLSA-N 498.914 4.504 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222786439 HICQYSGDZLEODZ-INIZCTEOSA-N 478.014 4.813 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 223560773 PWFPZGWQJNPVAA-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223987038 XXGAJSAFDJCEEI-DQEYMECFSA-N 498.568 4.916 5 40 JJBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 409347257 NJAPICIOJORNLQ-BKUYFWCQSA-N 476.514 4.677 5 40 JJBB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064665 UIHZHVNFKAQSEE-UHFFFAOYSA-N 452.458 4.731 5 40 JJBB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2n1-c1ccccc1 9285102 QPSAQBAMNVYZRA-UHFFFAOYSA-N 464.865 4.691 5 40 JJBB Cc1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c([N+](=O)[O-])n1 22089699 PBECVSGJOSSPIG-UHFFFAOYSA-N 469.548 4.656 5 40 JJBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 32115740 SMEXEBMNUVKZLK-LFYBBSHMSA-N 474.498 4.938 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 36006965 IRCIIMCPKXAREI-NEWJYFPISA-N 499.910 4.647 5 40 JJBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 103954869 VFROVPQNBYBLSL-ILBGXUMGSA-N 462.465 4.531 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 408584356 OQGDKVXOWOWPQP-UHFFFAOYSA-N 489.937 4.683 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409214437 VHPQRZCSULBORO-XKZIYDEJSA-N 493.541 4.977 5 40 JJBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC 2347286 KMDKBKFJBUMUOR-MRLUPLGUSA-N 456.498 4.600 5 40 JJBB COC(=O)c1sc2ncn3nc(-c4cccc(COc5ccc([N+](=O)[O-])cc5)c4)nc3c2c1C 2805079 BLGFYVCLPPQWLY-UHFFFAOYSA-N 475.486 4.588 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 9344923 INPXBSXYWDJRJP-UHFFFAOYSA-N 469.409 4.952 5 40 JJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cc(Br)ccc1Cl 14275231 QLIKKZKTRKYDMS-UHFFFAOYSA-N 493.564 4.900 5 40 JJBB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C1=O 408530172 IWKIBDHMSHGXEL-UHFFFAOYSA-N 481.512 4.951 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408566091 MTJYGINMOFYIKJ-XUCOSSOOSA-N 481.911 4.626 5 40 JJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 408605910 NJTCGJBMYZLDEX-HXUWFJFHSA-N 468.922 4.940 5 40 JJBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408641169 KYFYVAQRYGUAPH-QGZVFWFLSA-N 461.474 4.696 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)c(Cl)c2)cc1 409028437 MJVMFOFDDLYHNS-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB O=c1c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2 1719582 YUZSAOZAKUCEPO-UHFFFAOYSA-N 477.432 4.892 5 40 JJBB O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3183977 BDTISXSDDFGUPE-AWEZNQCLSA-N 468.080 4.695 5 40 JJBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1 8691104 JSSGXDIRXUDNIO-DEOSSOPVSA-N 455.474 4.619 5 40 JJBB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 8759136 RQULIXDYKOFSDD-UHFFFAOYSA-N 469.704 4.792 5 40 JJBB COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1OC 8792149 ZEDMJBNFOGCVFM-UHFFFAOYSA-N 479.492 4.627 5 40 JJBB biogenic O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223512483 DCPUYYXTJLDDLA-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB CC1(C)CC(=O)C(C(c2ccc(Br)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 408719814 FXLOGDWELFEBBR-UHFFFAOYSA-N 492.366 4.590 5 40 JJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2CC)cc1 409152625 FOZHNNNSVYUYIL-MRXNPFEDSA-N 469.567 4.948 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1171087 ITANTYBRALSNJU-DEDYPNTBSA-N 458.426 4.557 5 40 JJBB CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 1880636 RPQMKUDSTOQSTL-LJQANCHMSA-N 462.487 4.501 5 40 JJBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222659302 WUMXBOBWBZOIMF-IBGZPJMESA-N 466.365 4.776 5 40 JJBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224019242 OYJRUUBUJYKQRE-INIZCTEOSA-N 478.014 4.813 5 40 JJBB CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 409334947 JGZDGQJIAMTWRW-UHFFFAOYSA-N 496.596 4.851 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2cccnc2)cc1 6280113 HSNQTFKHJWCWEJ-UHFFFAOYSA-N 460.519 4.585 5 40 JJBB Cc1cccc(CCNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)c1 9860272 UIBTWIKMBZLNEW-UHFFFAOYSA-N 489.583 4.582 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 13539886 QPGZIVYPMJDZHQ-IPVQETTRSA-N 485.565 4.722 5 40 JJBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18045206 VGZLNELXZVIVMT-FSSWDIPSSA-N 463.877 4.608 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 223481852 FTFMUZJHOKTHTA-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225136292 MFAPYMLJIIKLDM-SJORKVTESA-N 478.014 4.813 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1CCCN12 408564370 CLKLCHOHEMWBNJ-BGBNXGLDSA-N 489.959 4.974 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409046082 IKNSIRBSHHTODB-CIAFOILYSA-N 479.514 4.506 5 40 JJBB CC(C)N1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 8861321 VTXPXNFOFFZUNG-QNGOZBTKSA-N 452.470 4.590 5 40 JJBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 32894813 GZXVHQDTUOJPAT-CYBMUJFWSA-N 455.458 4.581 5 40 JJBB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1 106743661 JLMRJWDRYFPPIP-ODLFYWEKSA-N 450.428 4.790 5 40 JJBB COc1ccccc1N1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 408998218 UBFGMYMFUSLWHA-UHFFFAOYSA-N 468.421 4.922 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409154549 OLYOAKLCGFFROA-UHFFFAOYSA-N 452.323 4.736 5 40 JJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2326446 NYNDADORAOEHCV-UHFFFAOYSA-N 470.485 4.685 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C 3302753 OMCQBPVBCJZDFR-MRXNPFEDSA-N 490.541 4.730 5 40 JJBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 14273781 WNQTZKRDETZBPE-FNORWQNLSA-N 499.807 4.792 5 40 JJBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223772704 BTEFPWHNVSHJBB-ZEQRLZLVSA-N 471.542 4.966 5 40 JJBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)CC1 409355329 BZORTZSTFYMHBY-YBFXNURJSA-N 489.937 4.803 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1294509 HBUZQWRNNGDBEB-IBGZPJMESA-N 481.258 4.802 5 40 JJBB CC1CCN(C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=O)c2ccccc2)CC1 8441267 ZOBNXHPCGWBMNZ-OQKWZONESA-N 459.502 4.884 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 408623246 RHKFIMMSMUWTAI-URFUVCHWSA-N 458.901 4.993 5 40 JJBB Cc1nc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1 409190558 ZMFPONYHEGKQAS-MFOYZWKCSA-N 491.323 4.581 5 40 JJBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c([N+](=O)[O-])c1 9335307 HOMGAOOCPRICFM-SFHVURJKSA-N 459.252 4.796 5 40 JJBB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9703482 IYYUPYKOTYYMOL-UHFFFAOYSA-N 480.933 4.737 5 40 JJBB O=C1N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C12c1cc(O)ccc1Oc1ccc(O)cc12 12377354 MMJDKOWYZYTMCG-UHFFFAOYSA-N 466.449 4.993 5 40 JJBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cccc([N+](=O)[O-])c1 14275752 ZRFUBHVDUGHEMA-UHFFFAOYSA-N 498.318 4.687 5 40 JJBB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 15305626 GZJIBUSEOSPOJQ-UHFFFAOYSA-N 494.303 4.727 5 40 JJBB Cc1cc(C2=N/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)ccc1Br 16282108 HYZNQSISPULHFM-AUWJEWJLSA-N 466.085 4.773 5 40 JJBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 138922300 OCTZUKXUPKAXNP-UHFFFAOYSA-N 497.891 4.941 5 40 JJBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2S(=O)(=O)c2ccccc2)c1 1309976 PXHONWOZFSBZBO-OAQYLSRUSA-N 486.347 4.897 5 40 JJBB COc1cccc(-n2c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc3ccccc3c2=O)c1 3329989 PEDHKKIBILBPDC-UHFFFAOYSA-N 487.497 4.645 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NCc3cnn(-c4ccccc4)c3)c([N+](=O)[O-])c2)c(C)c1 9116150 KDPJXTYVQKOSQM-UHFFFAOYSA-N 477.546 4.810 5 40 JJBB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc([N+](=O)[O-])cc1Br 9349162 SQLCRKLFAURJFZ-UHFFFAOYSA-N 474.296 4.619 5 40 JJBB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9645583 AALUOZOJEHMGNY-UHFFFAOYSA-N 483.497 4.923 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2cccs2)nn1-c1ccccc1 13138720 CODJIIBBKSCDMC-UHFFFAOYSA-N 463.471 4.733 5 40 JJBB CC(C)C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 20108766 HVQWJRYTTIKDEH-XMMPIXPASA-N 481.574 4.694 5 40 JJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(OCc2ccccc2)c1 22573668 IRTCJXAYQFEMQD-UHFFFAOYSA-N 464.528 4.910 5 40 JJBB CCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])o1 35181714 HYDVRECQGQDNGN-UHFFFAOYSA-N 488.496 4.823 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223552499 WVOYAYBDFLCEAE-DHIUTWEWSA-N 457.515 4.818 5 40 JJBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c1 408547282 YHZGNJASUBDGLJ-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)cc1)[C@@H]1CCCN12 408564373 CLKLCHOHEMWBNJ-CLPFNFTISA-N 489.959 4.974 5 40 JJBB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408652944 PHBBOYUAYBNNQN-QPPBQGQZSA-N 472.497 4.819 5 40 JJBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 409354387 DPTZUOQFWFKHEX-MFOYZWKCSA-N 490.335 4.649 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C 409358832 LNXNIHQKCNQBGC-UUYOSTAYSA-N 484.530 4.948 5 40 JJBB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2149061 JGHSQNJBZQKNPG-QFIPXVFZSA-N 459.498 4.988 5 40 JJBB biogenic COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(F)cc2)c1C 8445741 QSMRLYLNPZNBAT-UHFFFAOYSA-N 471.466 4.703 5 40 JJBB Cc1nn(CCCC(=O)Nc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 8682565 REONAWLRUKUCKW-UHFFFAOYSA-N 457.418 4.667 5 40 JJBB COc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 12621079 UMTYGTBBVCDTEJ-UHFFFAOYSA-N 490.394 4.556 5 40 JJBB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O 13134989 UZPWSZYZZDSFLM-LBPRGKRZSA-N 478.933 4.873 5 40 JJBB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14117581 ZHOTYUHSVPQNMB-UHFFFAOYSA-N 475.958 4.786 5 40 JJBB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14269554 QSUWQUHLACCXQH-OAHLLOKOSA-N 456.568 4.931 5 40 JJBB COc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])cc1OC(F)F 32936107 SXMJGPXSXLLGSW-UHFFFAOYSA-N 469.853 4.912 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 34138508 KXKVQHICADOUGK-XMMPIXPASA-N 472.501 4.861 5 40 JJBB O=[N+]([O-])c1ccc(O)c(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1 43888124 QGPCKPZYOUWFEZ-UHFFFAOYSA-N 495.316 4.503 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc12 102711923 CFLOBRJPPPOLTK-SDHOMARFSA-N 465.465 4.799 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223475101 PVRZUSYXVIJNFV-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 408569314 VOHFGNQXTJYXBK-XUCOSSOOSA-N 481.911 4.626 5 40 JJBB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 408917290 QKMCJDNXYUATII-YBFXNURJSA-N 450.428 4.790 5 40 JJBB O=C(Oc1cccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409268495 UPQKMTRYZOXYIH-UHFFFAOYSA-N 492.469 4.978 5 40 JJBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1Cl 3259925 UHEOSGSACJLONU-KRWDZBQOSA-N 458.729 4.626 5 40 JJBB aggregator Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Br 8833009 TXJTZCWMQWGQDF-UHFFFAOYSA-N 477.384 4.783 5 40 JJBB Cc1cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2c2ccccc12 9373679 JFHBPVMBHHDNKV-UHFFFAOYSA-N 472.324 4.592 5 40 JJBB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 12785979 KDJYRHZHJZCEQB-AWEZNQCLSA-N 474.439 4.818 5 40 JJBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1Cl 14413648 HMTAGKIDNLYJFP-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccccc2)N=C1C 16607523 VITOVSAHCTYVSZ-NVCFSDIOSA-N 479.496 4.510 5 40 JJBB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)cc1 100520117 FJOOXMFFILCEPE-VWLOTQADSA-N 485.500 4.628 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409207293 RJNDVBYBFBIPFR-HYARGMPZSA-N 473.485 4.665 5 40 JJBB Cc1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409269364 HWYXTQSAHNOZQC-UHFFFAOYSA-N 467.547 4.861 5 40 JJBB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc([N+](=O)[O-])s1 3305540 QEXVPUGYPPSDGJ-UHFFFAOYSA-N 462.505 4.831 5 40 JJBB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 8970949 RKCPGGHAUZDUES-ZGXWSNOMSA-N 456.340 4.566 5 40 JJBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccccc1SCc1c(C)noc1C 13097066 LBWJDTBCPREODO-UHFFFAOYSA-N 455.492 4.596 5 40 JJBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc([N+](=O)[O-])cc1 16401077 RQKQLDXDUDXULT-UHFFFAOYSA-N 492.404 4.869 5 40 JJBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 84098353 PYLZUGAPHYKQSQ-BTVKBFDZSA-N 462.550 4.733 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1CCCN12 408564377 CLKLCHOHEMWBNJ-RAKSCHNQSA-N 489.959 4.974 5 40 JJBB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792267 YGFLOUZTPCPXBJ-KRWDZBQOSA-N 477.520 4.684 5 40 JJBB biogenic O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8831307 LTLGIRLLVJRSFA-UHFFFAOYSA-N 464.272 4.883 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 33375617 JFJWFZBMQYNZMH-UHFFFAOYSA-N 478.983 4.649 5 40 JJBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C(C)C)CC1 103627925 KSIYEVSTTYEHFR-JVCXMKTPSA-N 492.620 4.831 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408549037 VXYXOIMGOJNWME-UHFFFAOYSA-N 453.520 4.882 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)c(Cl)c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408689524 YKXPUWLBVVWSKN-VOWSPCBNSA-N 488.327 4.656 5 40 JJBB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1C 409129007 QHPVJSWKMIJXHU-UHFFFAOYSA-N 476.356 4.500 5 40 JJBB Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 409411465 XFILQRHUASMDRF-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 684382 FZRSZOQCGCFSOB-IBGZPJMESA-N 457.899 4.656 5 40 JJBB C[C@@H](OC(=O)c1ccccc1Br)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3293651 WPACZVNEZPGBQX-LLVKDONJSA-N 476.308 4.665 5 40 JJBB aggregator Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6280083 CMSWKKMTWOUINC-UHFFFAOYSA-N 459.531 4.806 5 40 JJBB O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Br 9507280 RURJJKYRIZYZGF-UHFFFAOYSA-N 492.713 4.885 5 40 JJBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 10119948 QNMUDGJIGRSIQC-UHFFFAOYSA-N 476.474 4.590 5 40 JJBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCC2)ccc1[N+](=O)[O-] 22257390 JCRYINARYXTDJI-UHFFFAOYSA-N 470.913 4.957 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18146111 XMYGPLNWPYZVHL-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccc(C)c4)no3)cc2[N+](=O)[O-])CC1 20897666 WWFYDPHXRZJOJT-UHFFFAOYSA-N 471.517 4.955 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]21)c1ccccc1 409368611 DZEVVJMLWOUDRR-IMAQQZIHSA-N 465.303 4.752 5 40 JJBB COc1cc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 16606881 NDYWVUSBHZIQSS-DEOSSOPVSA-N 485.500 4.998 5 40 JJBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20610936 DCYSSFFJJXUSAF-UHFFFAOYSA-N 456.506 4.880 5 40 JJBB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 20796229 XTOZZDQOYQMJNW-OAHLLOKOSA-N 465.922 4.891 5 40 JJBB Cc1noc(-c2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([N+](=O)[O-])c2)n1 72242788 QQAOHNXSGCFWGE-UHFFFAOYSA-N 455.518 4.865 5 40 JJBB COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc1OC 89464692 LYYVRMQNHVFAMC-UHFFFAOYSA-N 463.899 4.810 5 40 JJBB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1nc2ccc([N+](=O)[O-])cc2s1 89866668 JEEMTFSZFKZLCP-UHFFFAOYSA-N 485.481 4.610 5 40 JJBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 408575610 WRUHBUYUPWJMFZ-GOSISDBHSA-N 463.357 4.847 5 40 JJBB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408674105 XLZYJOHUXGEBKT-UHFFFAOYSA-N 455.348 4.667 5 40 JJBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 408932644 DDSJSPNZLVASKA-JAIQZWGSSA-N 481.461 4.977 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 3276194 YYYPQCPBRVOILO-UHFFFAOYSA-N 472.939 4.904 5 40 JJBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8444557 ZGLUFXJSEQDEAI-DEOSSOPVSA-N 473.514 4.689 5 40 JJBB CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 8970948 RKCPGGHAUZDUES-YSTOQKLRSA-N 456.340 4.566 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 10060407 CURHWWJWBBIZPA-YADHBBJMSA-N 455.474 4.576 5 40 JJBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12249554 DXGUPSBNPVUALK-UHFFFAOYSA-N 455.279 4.594 5 40 JJBB CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 12565970 PIDSRHNJSNUDBH-DHIUTWEWSA-N 497.393 4.930 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 34849571 RCLIYRAWEGKYHJ-NEWJYFPISA-N 499.910 4.647 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851525 DICDTGNVYWHHSF-ONJIFJTESA-N 489.528 4.553 5 40 JJBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1 408550727 GYKIOFNMFCULPU-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409195603 WSOIGGQSGFZUJP-CEFCJMCMSA-N 454.438 4.867 5 40 JJBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4cccnc4)n3-c3ccccc3F)c1)OCOC2 2622647 SRDHRVGQTKJFME-UHFFFAOYSA-N 465.466 4.535 5 40 JJBB O=[N+]([O-])c1c(Br)c(Br)c([N+](=O)[O-])c(Br)c1Br 3843456 VYXKSHYFXVRDRQ-UHFFFAOYSA-N 483.692 4.553 5 40 JJBB biogenic COc1cccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 8721703 GRGIRNLMROQEMG-UHFFFAOYSA-N 468.849 4.549 5 40 JJBB Cn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl 9809467 ZVPHJJSQQLOWKO-UHFFFAOYSA-N 486.966 4.898 5 40 JJBB COc1ccc(Cc2cnc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)s2)cc1 12524554 GGPMABKOEQPYJK-UHFFFAOYSA-N 452.536 4.893 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Cl)ccc1OC 14084781 VJJBBPMRYFHUMZ-UHFFFAOYSA-N 482.349 4.919 5 40 JJBB O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCN(Cc2ccccc2)CC1 20522498 HEDWEZLKHREXHS-MDZDMXLPSA-N 488.500 4.653 5 40 JJBB NC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)cc1 25948125 HTEZNZOUHRTMDX-UHFFFAOYSA-N 473.411 4.507 5 40 JJBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224209754 YBMAIZNCRFTXPL-QGZVFWFLSA-N 478.014 4.671 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2)cc1 408588955 XLKKCUDGNSGMDA-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810143 JFDYTDGCIPUVHS-UHFFFAOYSA-N 463.874 4.749 5 40 JJBB C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 8824992 UZXGRACJRARYFF-ZDUSSCGKSA-N 484.848 4.953 5 40 JJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccc(Cl)cc1Cl 408559138 XNKLBUKUHAMBIH-UHFFFAOYSA-N 482.349 4.919 5 40 JJBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409057721 QLPUOXXYLNQONK-PJQLUOCWSA-N 471.274 4.761 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 409337239 YXPRNDBTOCJBSV-IBGZPJMESA-N 492.583 4.600 5 40 JJBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1 409365998 YJMBBKUIPYCIJM-LPYMAVHISA-N 490.541 4.736 5 40 JJBB Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 2639307 VBKRBJMQTWRKFJ-KRWDZBQOSA-N 484.892 4.546 5 40 JJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3ncccc3c2)c1 8997049 LSSAQFLIPNWAND-UHFFFAOYSA-N 472.486 4.631 5 40 JJBB O=C(/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2[nH]1)N1CCOCC1 16050996 ZDVUDRIMUAHQFU-NBVRZTHBSA-N 478.892 4.784 5 40 JJBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] 108112438 CNCIPMYAIOPWSG-RUDMXATFSA-N 485.084 4.797 5 40 JJBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)O)o1 408630814 BHWHNCVNERFIOM-FRKPEAEDSA-N 493.881 4.542 5 40 JJBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408730490 GRACRZGYACRUJA-FSAHKVHBSA-N 494.503 4.733 5 40 JJBB O=C(CCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3183569 BWYHKBCFJPNXPW-UHFFFAOYSA-N 455.254 4.947 5 40 JJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1 6142085 RQGZPPGZPHXWIP-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 8826366 VLTRLLNJUCYEIF-UHFFFAOYSA-N 476.514 4.517 5 40 JJBB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 11614356 ZWOXZKGDNMIASH-IBGZPJMESA-N 451.822 4.709 5 40 JJBB COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O 13929799 SRDKYOUWWZQVSA-NSIKDUERSA-N 496.111 4.781 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(COc2ccc3ccccc3c2)n1C 786236 POOGOAUCLOURMG-MRXNPFEDSA-N 477.546 4.883 5 40 JJBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C(=O)Nc2ccc(OC)cc2)c1C 2761027 UWDUTMMAJANVFM-UHFFFAOYSA-N 497.529 4.963 5 40 JJBB Cn1ccnc1Sc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 3321595 NICZSVYRZJHAEX-XNTDXEJSSA-N 485.319 4.587 5 40 JJBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 8383272 DJUVYEUOMOBQDB-PJEHFJQTSA-N 478.504 4.920 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 9281802 BOPVQJYHDXWSQO-VSKRKVRLSA-N 463.877 4.608 5 40 JJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 14276253 DATXFXUEONHFOU-UHFFFAOYSA-N 489.985 4.714 5 40 JJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCN(Cc2ccc(Cl)cc2)CC1 26360231 GBTGFANQRQUMEZ-UHFFFAOYSA-N 459.977 4.543 5 40 JJBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224556759 BZGJLGOMKUGJIY-HSZRJFAPSA-N 471.623 4.716 5 40 JJBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 409336078 LSEYCOKIXXOYDA-IBGZPJMESA-N 492.583 4.600 5 40 JJBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@H](C(C)(C)C)C2 2737911 YZLNDKDVMKQKLR-LBPRGKRZSA-N 482.990 4.781 5 40 JJBB CC[C@@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 8637342 SZODNUUDIAIQDO-QFIPXVFZSA-N 469.494 4.914 5 40 JJBB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 9128267 CPGIYOONHFXKFA-INIZCTEOSA-N 460.519 4.665 5 40 JJBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)cc1 14152950 RJLCPKFSOKPJTF-UHFFFAOYSA-N 494.451 4.819 5 40 JJBB Nc1nc(C[N+]2(Cc3nc(N)c4ccccc4n3)CC=C(c3ccccc3)CC2)nc2ccccc12 48261453 CQLDFMRPOBQAOU-UHFFFAOYSA-N 474.592 4.742 5 40 JJBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1 108246070 NRICEDTUGVOCMT-CIAFOILYSA-N 494.481 4.790 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223516182 SOLCQEIMPBLNPH-DNQXCXABSA-N 487.541 4.826 5 40 JJBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]21 408684269 NFGRCJVDQHPFDH-VOWSPCBNSA-N 488.327 4.656 5 40 JJBB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 409379259 WHZVWFJWBXNHJZ-UHFFFAOYSA-N 481.921 4.932 5 40 JJBB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1[N+](=O)[O-] 853505 QIZVXAHALNBZMV-LLVKDONJSA-N 463.313 4.835 5 40 JJBB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6136720 IQEZWBSBURGCTF-UHFFFAOYSA-N 490.545 4.527 5 40 JJBB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1cccs1 23034389 VPZQNYJBJLNAID-CQSZACIVSA-N 461.927 4.960 5 40 JJBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 35165743 SOHLPJRJYDTVKJ-DUOVIKOCSA-N 488.931 4.552 5 40 JJBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1 223560986 PWFPZGWQJNPVAA-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 409010426 DWPXIQYNJXWMKJ-YBFXNURJSA-N 478.392 4.527 5 40 JJBB COC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 2235701 HECCFRJUHHZNMT-UHFFFAOYSA-N 467.529 4.884 5 40 JJBB Cc1csc(SCc2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)n1 3344982 GQLZKPLKKXAALO-UHFFFAOYSA-N 457.533 4.756 5 40 JJBB CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792130 YMBIBNKVHKEKDS-UHFFFAOYSA-N 476.492 4.568 5 40 JJBB biogenic Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 9215937 HUKORXNWGDLELI-QGZVFWFLSA-N 453.863 4.869 5 40 JJBB Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 10059673 RHWOHLRFXVMRCF-KRWDZBQOSA-N 479.711 4.861 5 40 JJBB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1C 14405390 GOWCATXLYKMPRS-UHFFFAOYSA-N 480.481 4.621 5 40 JJBB O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 408949309 ATJXJVQUMORXMW-SDQBBNPISA-N 488.113 4.949 5 40 JJBB CCOC(=O)c1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)cc1 2197434 FFUGQJHLUYSQGP-UHFFFAOYSA-N 475.508 4.509 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 3668379 GOLRPYWOPDWENP-IOXNAGQWSA-N 468.509 4.651 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(COc2ccc3ccccc3c2)n1C 8435631 POOGOAUCLOURMG-INIZCTEOSA-N 477.546 4.883 5 40 JJBB O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8743409 SOBPHIVGPDBYGW-UHFFFAOYSA-N 488.452 4.590 5 40 JJBB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 9289034 BHVJXZRRQQIGJX-RPWUZVMVSA-N 469.501 4.885 5 40 JJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1Cl 20610795 FSPHVLMMRLVTMQ-UHFFFAOYSA-N 458.261 4.896 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1O 100619333 CPUPBBKPKDIGSV-NOZRDPDXSA-N 481.512 4.965 5 40 JJBB Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 409323769 QHPGGSHGAMBDLM-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 409335108 XNUSHHALPXIJHR-FQEVSTJZSA-N 453.568 4.934 5 40 JJBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14270350 VTRBUVLMXZQVBT-UHFFFAOYSA-N 452.275 4.994 5 40 JJBB CC1=C[C@@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 30883339 SKJXKWRUAOOKHW-FIXSFTCYSA-N 468.598 4.746 5 40 JJBB biogenic,in-vitro Cc1ccc(-c2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2NC(=O)c2ccco2)cc1 32624615 QHHAERTXGWWZBX-UHFFFAOYSA-N 478.486 4.890 5 40 JJBB CCCCCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398948 JDVVKJKLGFSGSD-UHFFFAOYSA-N 486.601 4.691 5 40 JJBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(C)c(C)c1 100820900 UVARXPNATAVGGY-ZXPTYKNPSA-N 498.583 4.689 5 40 JJBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)C(c1ccccc1)c1ccccc1 107752536 UNDAPZCSAFMJKH-UHFFFAOYSA-N 495.004 4.603 5 40 JJBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408684553 NSWBMKOMGWQMOS-SJLPKXTDSA-N 488.327 4.800 5 40 JJBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408735449 QBUNVSRNVNNTOL-PJYWLYPCSA-N 458.901 4.993 5 40 JJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409066908 DDBBYLRZAZJCDE-IKMPRTQCSA-N 492.509 4.925 5 40 JJBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1c1cccc(Cl)c1 409199495 DTORHZROIBUFEG-WLRTZDKTSA-N 455.673 4.957 5 40 JJBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC)cnc32)cc1 2402177 BDPGABOSUDQKIQ-UHFFFAOYSA-N 455.518 4.651 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1C(=O)c1ccc(Cl)cc1 2658533 WANZECVZDOVDRC-UHFFFAOYSA-N 453.834 4.703 5 40 JJBB CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccccc2)cc1 8743427 WHBQBGUCHQZAIP-XYGWBWBKSA-N 473.529 4.717 5 40 JJBB O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 8837628 ORQHVSTYYAHUAJ-UHFFFAOYSA-N 476.964 4.773 5 40 JJBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274433 NEGPEQLBZPJMEX-UHFFFAOYSA-N 489.768 4.518 5 40 JJBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 21578234 HJIBITZIBVOWQX-UHFFFAOYSA-N 465.337 4.603 5 40 JJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)Nc1nccs1 44087139 AAOBGZFFXWZANI-UHFFFAOYSA-N 455.496 4.774 5 40 JJBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222553915 DORPNILOBHRYCV-MHZLTWQESA-N 487.600 4.858 5 40 JJBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2249268 CZXPFBAMYSYRSR-KRWDZBQOSA-N 479.462 4.790 5 40 JJBB COC(=O)c1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 2445137 NZSRZORFAZFPLX-JOCHJYFZSA-N 466.449 4.779 5 40 JJBB Cc1cc(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1CCc1ccc(Cl)cc1 2648084 IQSGGFJIZWYFJX-UHFFFAOYSA-N 470.909 4.714 5 40 JJBB CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8836332 NDMIMKNDKLPYLR-UHFFFAOYSA-N 454.486 4.931 5 40 JJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc3c(c2)OCCO3)cc1 9461982 ZEFUYOLWUSHVJT-UHFFFAOYSA-N 489.535 4.720 5 40 JJBB Cc1ccc(-n2nnnc2S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)c(C)c1 9506800 MLGSJZLIYORAEH-QFIPXVFZSA-N 474.546 4.968 5 40 JJBB CC(C)(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 9969989 BECAVDLQJVZONH-XMMPIXPASA-N 460.530 4.977 5 40 JJBB COc1ccc([C@H]2C[C@H](c3ccccc3OC)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060464 KYWMMYWKNSWQLU-DHIUTWEWSA-N 485.500 4.585 5 40 JJBB Cc1ccc(-c2csc(/C=C3\SCC(=O)N3CC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 15587251 SQEZMTQTKKWDLV-YVNNLAQVSA-N 451.529 4.783 5 40 JJBB CCCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 33707397 SICKYVDMLOAEBM-UHFFFAOYSA-N 470.263 4.639 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]12 59433402 UQGXXJXBYVAYHD-ZCOIRKDISA-N 454.482 4.564 5 40 JJBB O=[N+]([O-])c1ccccc1S[C-]1CCC[C@@H](Sc2ccccc2[N+](=O)[O-])C1=[N+]1CCOCC1 89821223 BBADTPZHPXGUMD-HXUWFJFHSA-N 473.576 4.956 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247311995 IRCIIMCPKXAREI-LWSSLDFYSA-N 499.910 4.647 5 40 JJBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8921186 URHOEBUHGCWJRP-IBGZPJMESA-N 468.491 4.860 5 40 JJBB CC1CCC(NS(=O)(=O)c2ccc(Sc3nnc(C(C)C)n3C3CC3)c([N+](=O)[O-])c2)CC1 9377842 ZPLVRHOLLJVSEI-UHFFFAOYSA-N 479.628 4.653 5 40 JJBB C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 12551743 KXGXGGLYMZLOCR-CYBMUJFWSA-N 480.477 4.921 5 40 JJBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 25393413 OMGVMMBGAAMSGJ-KRWDZBQOSA-N 479.533 4.930 5 40 JJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O 2399720 IVPIOAAJZGYLQR-HXUWFJFHSA-N 476.514 4.809 5 40 JJBB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1 8831449 IQJCLPXZPLEYKH-UHFFFAOYSA-N 460.471 4.720 5 40 JJBB Cn1ccnc1Sc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-] 9157127 JDINAZIBAXVBDY-NRFANRHFSA-N 461.503 4.839 5 40 JJBB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 9224338 SUDQQJYPVFEBPG-UHFFFAOYSA-N 464.478 4.817 5 40 JJBB COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1OC 9380292 KMDKBKFJBUMUOR-ATPOPXNDSA-N 456.498 4.600 5 40 JJBB COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1Br 10553672 KJYLJCGVYBXPCK-UHFFFAOYSA-N 464.297 4.507 5 40 JJBB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2)cc1 13113055 ZTZVKTJBXXLPDL-UHFFFAOYSA-N 451.430 4.692 5 40 JJBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 14152948 BHVQUUPTLZDWOS-UHFFFAOYSA-N 494.451 4.819 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2)cc1 14413680 YMWKQLDGLIOIJP-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)c(C)c1 20081443 GCOCJEDTOZNSAO-QYOOZWMWSA-N 493.519 4.610 5 40 JJBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 224578307 WNBQHOSZQZPBHW-BJKOFHAPSA-N 471.542 4.966 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409194583 PTPFWJREHISTGA-AFYXKLSTSA-N 474.425 4.550 5 40 JJBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409197172 XQHSAIHVRILBNA-HYARGMPZSA-N 473.485 4.665 5 40 JJBB O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 524221865 OKSHYXKCARASCB-XMMPIXPASA-N 475.936 4.809 5 40 JJBB COc1ccc(CNC(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 3117649 JWJTZKJPMOUXLU-UHFFFAOYSA-N 451.435 4.553 5 40 JJBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])C1 6298917 CQGSIVSGCYAKGO-CYBMUJFWSA-N 466.321 4.933 5 40 JJBB Cc1nc2ccc(Cc3ccc4c(c3)C(=O)O[C@@H](/C=C/c3ccc([N+](=O)[O-])cc3)N4)cc2c(=O)o1 6444306 KWAKVDKPEILIJD-YDSNZTKKSA-N 469.453 4.617 5 40 JJBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1S(=O)(=O)c1ccccc1 8884110 AGNNUBGNZSFBMO-UHFFFAOYSA-N 497.916 4.794 5 40 JJBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 22278865 IZIVXMUUMNZMBL-UHFFFAOYSA-N 461.499 4.582 5 40 JJBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cccc1[N+](=O)[O-] 408560518 DBJHIKFKXVQYDE-UHFFFAOYSA-N 493.900 4.514 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1F)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408661333 QPBTVWWOONYKHU-TUUBTQOTSA-N 483.282 4.832 5 40 JJBB CCCCNc1ccc(S(=O)(=O)c2ccc(NCCCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 5011553 LCARYSLQNKYTLH-UHFFFAOYSA-N 450.517 4.760 5 40 JJBB Cc1nn(-c2ccccc2)c(N)c1C(c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1N 9086775 OBRPKAGGDOQVIP-UHFFFAOYSA-N 479.544 4.928 5 40 JJBB O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9096961 YDSDPQFCIQFUPP-UHFFFAOYSA-N 467.837 4.580 5 40 JJBB CC(=O)N[C@H](CC(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9540468 PRXKWVQCOCLWFX-VWNXMTODSA-N 495.919 4.739 5 40 JJBB Cc1ccc(N2C(=O)/C(=C\Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3ccccc3C2=O)c(C)c1 12546843 QGRIDUWKFFDBCD-BKUYFWCQSA-N 458.430 4.760 5 40 JJBB Cc1cc(SCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)cc1Br 12622772 UZPSJGAEDNZIEJ-UHFFFAOYSA-N 487.759 4.902 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 97955200 BZPAHXGGPZOEPF-VABKMULXSA-N 477.904 4.916 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 408728371 KOSXUJIUXXTRFN-NFJKTXFASA-N 489.325 4.928 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1N/C=C/c1cc([N+](=O)[O-])ccc1Cl 408964610 DUPBRNAODYJFBU-KSFBMPINSA-N 471.900 4.616 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 8686212 MCIRLFAXLUNNCG-RVSPLBMKSA-N 463.581 4.609 5 40 JJBB CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 8835725 LRQNECPSYHKQAC-UHFFFAOYSA-N 481.622 4.948 5 40 JJBB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62369998 FPBHOOHUHNPSQL-AWEZNQCLSA-N 474.348 4.599 5 40 JJBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1c3ccccc3C2(Cl)c2ccccc21 408918101 GDSJCFRXKMWSCH-ISQHLFTMSA-N 465.292 4.995 5 40 JJBB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409192686 FDINYFXXNKHQEF-TWSKGESGSA-N 484.464 4.875 5 40 JJBB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 797513 YDFBNJDVVOAICT-UHFFFAOYSA-N 460.947 4.511 5 40 JJBB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2388603 YCTDZVSMYDIVPC-UHFFFAOYSA-N 479.554 4.699 5 40 JJBB CC(=O)N[C@H](CC(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 9540470 PRXKWVQCOCLWFX-ISKFKSNPSA-N 495.919 4.739 5 40 JJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 9714774 AKQWXRUQUSTAFT-UHFFFAOYSA-N 498.517 4.911 5 40 JJBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2C)s1 44086875 GETGGCNHFQXHSZ-UHFFFAOYSA-N 466.548 4.647 5 40 JJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222659361 WUMXBOBWBZOIMF-LJQANCHMSA-N 466.365 4.776 5 40 JJBB O=C(CCCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408665282 LFLQZMBOFTVPCE-UHFFFAOYSA-N 487.818 4.558 5 40 JJBB CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2634711 BCWITHZAZVAJSH-AWEZNQCLSA-N 455.492 4.690 5 40 JJBB aggregator Cc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 12651191 CGBBPCBVJRAUJD-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 14291357 RYEPEMPJMXFEEJ-UHFFFAOYSA-N 490.501 4.899 5 40 JJBB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Br)c2)c([N+](=O)[O-])c1 27260911 RNMXQRQKZSDZJS-UHFFFAOYSA-N 470.279 4.871 5 40 JJBB O=C(COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1cccc(Cl)c1 33325039 PRBZDEPRNXHZOW-UHFFFAOYSA-N 450.838 4.983 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408925332 PGQMVSRXPHGVEK-NCELDCMTSA-N 491.569 4.949 5 40 JJBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc1[N+](=O)[O-] 409158470 OSKIBHLXOOKZNU-RGVLZGJSSA-N 481.461 4.977 5 40 JJBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409221632 UBGWZHKUULATGO-KGENOOAVSA-N 472.519 4.645 5 40 JJBB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 9374491 TXXUZGGTFVNZOC-UHFFFAOYSA-N 457.486 4.990 5 40 JJBB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14271141 VSDDUJDUWRQBCB-UHFFFAOYSA-N 472.876 4.994 5 40 JJBB COc1cc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 15833813 OMZKGHROFIBISV-AWEZNQCLSA-N 454.483 4.574 5 40 JJBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nn12 57316978 RWFNEALKOUGJKZ-UHFFFAOYSA-N 460.475 4.836 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 101106203 GJVYHXULAHPFTM-ACRUOGEOSA-N 484.295 4.953 5 40 JJBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223657927 SMDDJVVVCYBLSA-FNZWTVRRSA-N 491.563 4.831 5 40 JJBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 409371433 CLGBMHAUBXSELN-MFOYZWKCSA-N 459.911 4.848 5 40 JJBB Cn1cnnc1Sc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 9130922 FUCRCAMSMQQHRH-OAQYLSRUSA-N 458.503 4.646 5 40 JJBB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCC1 9545070 XRAXDCNSBRCWIJ-UHFFFAOYSA-N 486.377 4.546 5 40 JJBB COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 20969899 QVVMKZWALRBEFY-UHFFFAOYSA-N 474.473 4.501 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 32124837 AZMZULBDQOUCQG-YVLHZVERSA-N 495.376 4.678 5 40 JJBB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223330453 WKIMARBLYHSELR-LJQANCHMSA-N 484.405 4.688 5 40 JJBB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408673956 WJIJKNZUMAJKIW-UHFFFAOYSA-N 455.348 4.667 5 40 JJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 408728370 KOSXUJIUXXTRFN-LQDNNDEMSA-N 489.325 4.928 5 40 JJBB Cc1cc(C)c(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1 8974178 MZWGTVWFVAWHQR-NLFFAJNJSA-N 462.506 4.545 5 40 JJBB C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9635205 YBRMNVBBFZXLDB-OXFRDRNISA-N 459.430 4.580 5 40 JJBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 13100687 SOTJMNMXYIWEJB-UHFFFAOYSA-N 463.494 4.772 5 40 JJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 32119050 LPXAINORUADNNU-UHFFFAOYSA-N 459.509 4.582 5 40 JJBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225263801 AZLYOBUBHHFQFU-AREMUKBSSA-N 473.573 4.694 5 40 JJBB COC(=O)C(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC 409085313 ODQJYKNQQZCPQL-UHFFFAOYSA-N 459.760 4.789 5 40 JJBB O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21 978706 YRTWMHPOUNHBOU-UHFFFAOYSA-N 450.454 4.937 5 40 JJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1Cc1ccc(Cl)cc1 2253558 URKNYPAHXVCANB-UHFFFAOYSA-N 495.926 4.773 5 40 JJBB COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1OC 8691447 VACVIYMOWMUZGI-UHFFFAOYSA-N 455.474 4.815 5 40 JJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3cc(C)cc(C)c3)nc(C)c2=O)cc1 11692025 AYJNQMFMUSJZPJ-UHFFFAOYSA-N 484.512 4.994 5 40 JJBB CC(=O)Nc1nc(-c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)nc2c1c(=O)oc1ccccc12 18196595 FTILHMYFKHYHQN-UHFFFAOYSA-N 498.470 4.518 5 40 JJBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225128413 LKMLFWRWPKBDGA-QGZVFWFLSA-N 457.958 4.657 5 40 JJBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225226156 PBQHWHZTJIBKHI-OAQYLSRUSA-N 478.014 4.815 5 40 JJBB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225563893 XKNBKOCBKDWZNH-OYRHEFFESA-N 481.593 4.638 5 40 JJBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409012478 KHNAVYRBTNVWFE-QPNANDPSSA-N 493.541 4.894 5 40 JJBB Cc1ccc(-c2csc(NC(=O)Cn3nc(COc4ccccc4)oc3=S)n2)cc1[N+](=O)[O-] 409157406 VJRKVDFNWZSUSO-UHFFFAOYSA-N 483.531 4.763 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 907428 UJFRXBLPLMTJRB-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 9192660 HVFMBSCHTRTCCW-RIYZIHGNSA-N 470.529 4.518 5 40 JJBB O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1 13556593 NVBIFJWLFJMGOY-UHFFFAOYSA-N 457.482 4.900 5 40 JJBB CCOC(=O)[C@@H](C)OC(=O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 21992564 CXSYBAAEWZTAOV-SECBINFHSA-N 462.764 4.563 5 40 JJBB CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 22278861 YAMWOYURHQISHJ-UHFFFAOYSA-N 453.520 4.552 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 102707748 HXXMZGFZVHQYJX-DSITVLBTSA-N 465.465 4.799 5 40 JJBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224113686 CXSSFTUWJKCABF-SANMLTNESA-N 473.573 4.612 5 40 JJBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1 408546785 GKUPYEDLSYGSGY-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 408680204 FXTLYRABAXAEGA-JOCHJYFZSA-N 471.918 4.855 5 40 JJBB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(CC(=O)OC)C2=S)cc1 409058589 SZEZPERJYUGCGV-STZFKDTASA-N 491.525 4.565 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2251886 AXNPXKJRJDTLFO-UHFFFAOYSA-N 467.529 4.884 5 40 JJBB O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 2642578 FFITUBXXWKQESW-UHFFFAOYSA-N 497.483 4.764 5 40 JJBB Cc1ccc(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)c([N+](=O)[O-])c1 2804655 FHZXNCWVBNNTQX-UHFFFAOYSA-N 477.484 4.926 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 9138906 ARYBGRNRKSKUCZ-IBGZPJMESA-N 455.264 4.894 5 40 JJBB Cc1cc(=O)oc2c(C)c(Oc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])ccc12 89568511 NCJRPQCFMMKVJW-UHFFFAOYSA-N 472.519 4.531 5 40 JJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 89637216 PFWQZDIXEPJQMH-UHFFFAOYSA-N 460.895 4.601 5 40 JJBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1c(Cl)cccc1Cl 106716445 FHERKEJDRWNQFV-BNCCVWRVSA-N 453.259 4.867 5 40 JJBB CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1-c1cccc([N+](=O)[O-])c1 409124585 KZGJGETYCXWNEZ-UHFFFAOYSA-N 490.383 4.983 5 40 JJBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 409212636 RDHRHJDEUPORFD-YVLHZVERSA-N 490.335 4.595 5 40 JJBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Br)ccc2o1 409362812 GRMNUTVEZRVNJV-UHFFFAOYSA-N 488.323 4.630 5 40 JJBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O 677054 XXEWNBKYMKWLNH-CHHVJCJISA-N 465.245 4.570 5 40 JJBB COc1ccc(Cn2c(-c3ccc(C)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2204505 VQMDFGDFAQBUCR-UHFFFAOYSA-N 454.482 4.544 5 40 JJBB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060442 LTMYNOCFVHSBAD-PKTZIBPZSA-N 469.501 4.885 5 40 JJBB O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10475664 SVJBXTUTSUKHJE-UHFFFAOYSA-N 483.731 4.715 5 40 JJBB O=c1c2ccccc2[nH]c2ccc(Oc3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)cc12 25423148 CPTWHGSGACIAAC-UHFFFAOYSA-N 484.581 4.799 5 40 JJBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)Nc1ccon1 96931083 UISMTPALIPTURR-VKAVYKQESA-N 484.468 4.803 5 40 JJBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 408554934 GKABNTBKRICIHK-UHFFFAOYSA-N 494.451 4.819 5 40 JJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Br 408606834 QXXOXDPWYJVXGC-CSKARUKUSA-N 488.294 4.850 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 408941543 WBGKXWOTIRCOJY-JAIQZWGSSA-N 481.461 4.977 5 40 JJBB Cc1ccc(S(=O)(=O)n2cc(Cc3ccc(F)cc3)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 3627692 PTFQQBWUVLKUEH-UHFFFAOYSA-N 469.450 4.733 5 40 JJBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442693 PCEZOLAPSAGFSW-UHFFFAOYSA-N 475.530 4.794 5 40 JJBB COc1ccc(Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 9668974 ZWQYSQYTWXXAHZ-UHFFFAOYSA-N 460.515 4.750 5 40 JJBB Cn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 12589407 VFVLAEXQNFKBMQ-UHFFFAOYSA-N 454.530 4.758 5 40 JJBB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14272237 SKDQBLLLJOFVGA-UHFFFAOYSA-N 458.474 4.800 5 40 JJBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18091240 OFCILHBPDUWKEH-ZLNRFVROSA-N 477.904 4.862 5 40 JJBB O=[N+]([O-])c1ccc(NC(=S)N[C@H](NSc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 28294115 RHVNYOTZXUFPCX-CYBMUJFWSA-N 496.785 4.783 5 40 JJBB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39759463 WZYHOJKNYLLZLM-UHFFFAOYSA-N 459.487 4.547 5 40 JJBB CCCC[Sn](CCCC)(CCCC)CCC[N+](C)(CCO)CCO 195791492 BRVLWLZVIFSGII-UHFFFAOYSA-N 451.304 4.657 5 40 JJBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2404688 CPERZUFLBGXHCG-HNNXBMFYSA-N 455.518 4.740 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc([N+](=O)[O-])c1O 9232725 PYSQHDWYBFNPHS-PXNMLYILSA-N 452.847 4.728 5 40 JJBB O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16480362 BWVDVYJEMAHHFA-UHFFFAOYSA-N 451.910 4.790 5 40 JJBB CCOC(=O)c1cc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc([N+](=O)[O-])c1 32925821 ZIARCZBDNGBCBC-UHFFFAOYSA-N 462.462 4.976 5 40 JJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 408685347 PDHMDZFQQMHBFK-UHFFFAOYSA-N 470.268 4.755 5 40 JJBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 409177932 FFAZWBFVUIPHIV-UHFFFAOYSA-N 453.834 4.816 5 40 JJBB Cc1cc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC(C)(C)C2)ccc1[N+](=O)[O-] 8444376 NQBMQEALBCMZJN-RXFWQSSRSA-N 496.564 4.865 5 40 JJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 9138853 DWMZKVDYRDQUNP-UHFFFAOYSA-N 490.541 4.650 5 40 JJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCNc1ccc([N+](=O)[O-])c2cccnc12 100086711 RWLMDBPZHOMCKK-UHFFFAOYSA-N 466.332 4.502 5 40 JJBB Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 102745377 BOPVQJYHDXWSQO-BHIFYINESA-N 463.877 4.608 5 40 JJBB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409237288 JHQLHVTVASCDEC-WOJGMQOQSA-N 459.886 4.529 5 40 JJBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 4157074 GVOFZWSWESDZHA-UHFFFAOYSA-N 499.262 4.742 5 40 JJBB O=C(NC(=S)NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCc2ccccc2)cc1 9763218 VDIUJFIAFMMDFE-UHFFFAOYSA-N 498.992 4.934 5 40 JJBB COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-] 14275147 OBCMLJSHWVUNCV-UHFFFAOYSA-N 492.513 4.861 5 40 JJBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1 26786938 PHRWAOGOZIJMKT-UHFFFAOYSA-N 454.504 4.817 5 40 JJBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@@H](C)CC[C@@H]3O)ccc(O)c12 90528767 LBNWMCYHIWPXDJ-VUSMEJPJSA-N 450.487 4.732 5 40 JJBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225519622 VEGBZWJTCVBRSJ-DQEYMECFSA-N 499.552 4.861 5 40 JJBB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409353358 JNFAKLXJURCFMX-BKUYFWCQSA-N 470.503 4.702 5 40 JJBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3ccc(Cl)cc3Cl)nn12 2828976 JWYNRWZJDZSBET-VCHYOVAHSA-N 485.308 4.841 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 14411071 SXDPAJQUSORBQF-UHFFFAOYSA-N 473.938 4.775 5 40 JJBB O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16384517 FVJMKWNIANUPOG-UHFFFAOYSA-N 488.529 4.525 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 20034795 NEQVESDQECHFQG-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCCC1 26120864 QLYGGFCIOOBQBP-UHFFFAOYSA-N 483.999 4.787 5 40 JJBB Nc1cc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-] 84707221 LMKLMODJWFEJMY-UHFFFAOYSA-N 453.398 4.789 5 40 JJBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)O)o2)c1 408633140 LTODJTDSCZGVJR-NDENLUEZSA-N 494.485 4.671 5 40 JJBB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(O)cc2)cc1 6177156 UMYMOYJOGPDDIB-HNNXBMFYSA-N 491.529 4.676 5 40 JJBB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062484 XGQINJQDPMVRDH-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cccs1 9138764 XJLAJCDWUURSEB-KRWDZBQOSA-N 461.293 4.956 5 40 JJBB Cc1cc(C(=O)OCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)ccc1[N+](=O)[O-] 13129403 GWSAVUONSCLRSG-NRFANRHFSA-N 488.949 4.823 5 40 JJBB O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 16545170 HDQGSTPYLRZKIH-UHFFFAOYSA-N 479.876 4.953 5 40 JJBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519246 IQEGCBKLGKPGQO-NZCWTCFWSA-N 489.528 4.553 5 40 JJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 409199973 GEDSGEXODYFURZ-NDENLUEZSA-N 490.497 4.766 5 40 JJBB COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccc(Br)o1)CC2 3192894 ONTGUYFZCPJYDJ-OAQYLSRUSA-N 487.306 4.755 5 40 JJBB Cc1cc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC(C)(C)C2)ccc1[N+](=O)[O-] 8444372 NQBMQEALBCMZJN-FQRUVTKNSA-N 496.564 4.865 5 40 JJBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 9310215 JLKVWBKMTDAGCP-UHFFFAOYSA-N 454.317 4.627 5 40 JJBB COc1ccc(-c2nsc3c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)ncnc23)cc1 13510940 QTCNDPPPOYLPQS-UHFFFAOYSA-N 467.532 4.709 5 40 JJBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14276214 HQRCFEOQMMWDEN-UHFFFAOYSA-N 483.594 4.841 5 40 JJBB NC(=O)c1ccc(CNc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c([N+](=O)[O-])c1 71982527 OSECXTUHRCMMQO-UHFFFAOYSA-N 476.386 4.716 5 40 JJBB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1cc([N+](=O)[O-])ccc1Cl 224937078 YGBAHBGLFBGKHZ-UHFFFAOYSA-N 487.965 4.685 5 40 JJBB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225658947 CNTWBXUZIXSGLD-KRWDZBQOSA-N 478.014 4.671 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 408563801 QQCGDJMXXFKFLO-UHFFFAOYSA-N 466.302 4.955 5 40 JJBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408685680 PXTILKMHWSTYPL-VMDGZTHMSA-N 490.343 4.880 5 40 JJBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 409127869 RUQDHMBYSRSGBN-LFIBNONCSA-N 463.309 4.732 5 40 JJBB COCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)c1C 3523346 YCFOVJOHYJKMKM-UHFFFAOYSA-N 489.575 4.615 5 40 JJBB CN(C)c1cccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c1 8687907 GLMSQMAUOJUUFA-NRFANRHFSA-N 498.333 4.960 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 8827436 VNXRUGGJNUHOAR-INIZCTEOSA-N 484.287 4.670 5 40 JJBB CN(C)c1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9312904 AXVIKEQTAYLUKG-QYOOZWMWSA-N 484.512 4.557 5 40 JJBB COC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCN(C(C)C)C2 9369224 DHULXMCOYVYGQY-UHFFFAOYSA-N 476.554 4.813 5 40 JJBB CCc1ccc2nc(N3CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)sc2c1 15391663 RWMVCHCERZBVPD-UHFFFAOYSA-N 452.561 4.944 5 40 JJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(I)ccc1Cl 22567411 BEJVECSPBMVRDH-UHFFFAOYSA-N 459.652 4.715 5 40 JJBB Cc1noc(C)c1CSc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 89532445 LSYVDWFCEMRLPQ-UHFFFAOYSA-N 456.476 4.715 5 40 JJBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102755085 VGZLNELXZVIVMT-BHIFYINESA-N 463.877 4.608 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223561213 KVQDCOQSQNRDMC-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224157904 MQPDTFHDABXIDR-RUZDIDTESA-N 493.991 4.957 5 40 JJBB CCOc1ccccc1Nc1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)s1 3445029 DQDMPCFXWNLFFR-UHFFFAOYSA-N 456.509 4.931 5 40 JJBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8901677 DVKVPKQPYRWWTR-UHFFFAOYSA-N 499.999 4.549 5 40 JJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 15166354 XKPRJFUPRXYMBG-UHFFFAOYSA-N 455.492 4.561 5 40 JJBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 21123822 SYTGUVXNKPVJPM-UHFFFAOYSA-N 458.946 4.504 5 40 JJBB CCN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229373 BSHIILUSZWSHCG-UHFFFAOYSA-N 457.745 4.949 5 40 JJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 408574884 FIFWGKCBUAPFBS-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408682493 JHPRRCUINVBKMU-RBUKOAKNSA-N 488.327 4.800 5 40 JJBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409182184 JACPMZRRHMUTCR-UHFFFAOYSA-N 455.404 4.919 5 40 JJBB Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)n1C[C@@H]1COc2ccccc2O1 2639308 VBKRBJMQTWRKFJ-QGZVFWFLSA-N 484.892 4.546 5 40 JJBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 8901821 OTVSTGXXCIFQLQ-UHFFFAOYSA-N 478.936 4.771 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223397188 YAAFOXMJLCKLOV-BJKOFHAPSA-N 455.543 4.953 5 40 JJBB CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@]21C(=O)N(c2ccccc2)N=C1C 248071859 YTKVKPSZZLYYEO-JNMKDEPVSA-N 479.496 4.510 5 40 JJBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1 408573530 TULJCRGFTYRACB-SFHVURJKSA-N 481.347 4.986 5 40 JJBB O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 1475777 XWDQDYGVDJAZJM-UHFFFAOYSA-N 488.387 4.638 5 40 JJBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 2246721 QWIINARYIHVXGT-UHFFFAOYSA-N 455.518 4.724 5 40 JJBB O=C(N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3183892 LVPSODJDFAQMNB-CQSZACIVSA-N 482.176 4.661 5 40 JJBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3423196 KWUTZZYGMZUSKA-JTQLQIEISA-N 493.269 4.818 5 40 JJBB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] 6445603 VKORLRQWVAXCGG-UHFFFAOYSA-N 481.921 4.932 5 40 JJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccccn1)N1C(=N2)C(O)=Nc2ccccc21 9403934 QOGMFFZUNDOEFR-NRFANRHFSA-N 451.446 4.725 5 40 JJBB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc32)cc1 9738640 HVZCCTCZICDIQI-UHFFFAOYSA-N 465.531 4.605 5 40 JJBB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 13108393 YXVTZHKXEPGLQP-UHFFFAOYSA-N 487.390 4.889 5 40 JJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2cc3c(cc2cc1CC)OCO3 13503601 BYYONQMATZPTHK-UHFFFAOYSA-N 499.545 4.962 5 40 JJBB CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(Cc1ccc(OC)cc1)n2C(=O)CC 16807234 ZIYFNSZKMVIJAQ-UHFFFAOYSA-N 493.545 4.651 5 40 JJBB Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)cc1 22257326 OPPLREBPBMNTBL-UHFFFAOYSA-N 450.495 4.612 5 40 JJBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 36006966 IRCIIMCPKXAREI-CJRSTVEYSA-N 499.910 4.647 5 40 JJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)ccc1[N+](=O)[O-] 408573933 FSRABUQUWSJISF-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CCOc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408994624 ZZWPFTCQRHHKFJ-DYVFJYSZSA-N 463.562 4.543 5 40 JJBB COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1Cl 3446769 FTYGOTUTIINSQW-UHFFFAOYSA-N 496.932 4.687 5 40 JJBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12624841 CRSWVSWOFYRMAN-CHWSQXEVSA-N 481.336 4.574 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16034874 PKPFHGIUQUSLQN-KEZOAJOQSA-N 499.910 4.647 5 40 JJBB Nc1nc(=O)n(CCCOc2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 17039817 OOHOHFUMHVYDTF-UHFFFAOYSA-N 469.712 4.830 5 40 JJBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 138615862 GHOONJYGIIHUAT-YXKFXFPPSA-N 488.327 4.656 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223516306 SOLCQEIMPBLNPH-BJKOFHAPSA-N 487.541 4.826 5 40 JJBB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 409124318 AYTKOUIKHVDTBP-UHFFFAOYSA-N 476.356 4.675 5 40 JJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 22278310 XYBREIKJSVUTCY-UHFFFAOYSA-N 461.499 4.582 5 40 JJBB O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29758804 VYIRECMHNGQGQR-UHFFFAOYSA-N 478.254 4.648 5 40 JJBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33552370 VQYYUPVJGWUVOO-UHFFFAOYSA-N 467.503 4.939 5 40 JJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2CC)cc1 409356196 FWKHEMDXEFVKGN-MRXNPFEDSA-N 469.567 4.948 5 40 JJBB COc1cccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1OC 12588240 KWUBQOBCSICMGV-UHFFFAOYSA-N 481.471 4.506 5 40 JJBB Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-] 13145307 HJSBCTDXSNRJFQ-UHFFFAOYSA-N 460.895 4.601 5 40 JJBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 16226652 AOGJVMRRRCICDO-XVNBXDOJSA-N 470.732 4.546 5 40 JJBB O=C(Oc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59502972 XKSQGCPUWJIJLJ-KEBDBYFISA-N 491.437 4.963 5 40 JJBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224644247 OLNJLGAMXNDHCX-IBGZPJMESA-N 469.607 4.694 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 408571150 NWLHCAKHFIWDBA-VIQOPKQKSA-N 481.911 4.626 5 40 JJBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408688644 WKTJXWPFDLALCM-FUHWJXTLSA-N 488.327 4.800 5 40 JJBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3c3ccnc2c31 8792260 SYBPUNYWTIVNNK-INIZCTEOSA-N 487.556 4.539 5 40 JJBB biogenic O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 8974645 GRLANHLPWDMAJR-XXBNENTESA-N 468.897 4.663 5 40 JJBB COc1ccc2c(=O)c3c(nc(-c4cc(OC)c(OC)c(OC)c4)n4c5ccccc5nc34)oc2c1 9451058 QJNNQZIKMNDVEI-UHFFFAOYSA-N 483.480 4.844 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3ccccc3c2=O)cc1C 10409852 OCZZIZXPMKESTF-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB COc1ccc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1OC 12561551 QWZKURLSAKFAOH-UHFFFAOYSA-N 479.514 4.935 5 40 JJBB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)c4cccc([N+](=O)[O-])c4)c(=O)c23)cc1 12922448 SVUWJTFYKAHXNF-QGZVFWFLSA-N 476.558 4.951 5 40 JJBB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 33429643 VRJCESVFWAIGGX-NSHDSACASA-N 466.350 4.813 5 40 JJBB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 39768648 PZYMYBKXKPADBH-UHFFFAOYSA-N 475.486 4.627 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 229848102 IFNNTLRWUOBOLE-ONTLXTELSA-N 499.910 4.521 5 40 JJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Br 408571799 PNQRVPPRJNHKDN-QGZVFWFLSA-N 467.320 4.596 5 40 JJBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409090961 RXFWHBFAICQCEJ-RGVLZGJSSA-N 479.876 4.933 5 40 JJBB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1C 409174538 NEGGTLZBFCAVIK-UHFFFAOYSA-N 480.575 4.861 5 40 JJBB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 3447605 MPNRGMNNSWOOKW-UHFFFAOYSA-N 480.937 4.681 5 40 JJBB CC(=O)N1C[C@@H](C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)Oc2ccccc21 24478947 NDIXGDSQUWQXGX-DEOSSOPVSA-N 450.498 4.702 5 40 JJBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1cccc([N+](=O)[O-])c1 102738410 XMYGPLNWPYZVHL-PCCBWWKXSA-N 484.295 4.953 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 106722513 ZTURCZQSGSRNKZ-SXGWCWSVSA-N 479.308 4.698 5 40 JJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2244983 PHSDBXYOIOANPD-UHFFFAOYSA-N 451.889 4.503 5 40 JJBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1[N+](=O)[O-] 9469133 NMYPPAZCXZQHGS-UHFFFAOYSA-N 452.540 4.507 5 40 JJBB COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 12555052 LPPJDBJJCFZJQD-AWEZNQCLSA-N 481.471 4.725 5 40 JJBB Cc1ccc(C(=O)C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408684835 OFMATHVFAVTHLS-QHCPKHFHSA-N 451.500 4.510 5 40 JJBB CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732768 YOXBWYRLKGKZGG-JOCHJYFZSA-N 485.562 4.773 5 40 JJBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)c1 2253738 WQMAVXWNNODUAR-UHFFFAOYSA-N 477.524 4.658 5 40 JJBB O=C(C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 2708969 DRCMXWQKNRRROD-NRFANRHFSA-N 459.531 4.920 5 40 JJBB CC1CCN(Cc2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)CC1 12528240 WSUJMJPYMUBNMQ-UHFFFAOYSA-N 453.586 4.703 5 40 JJBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222708207 JQIMYYQLHRLSFC-LJQANCHMSA-N 466.365 4.776 5 40 JJBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 408569312 VOHFGNQXTJYXBK-VIQOPKQKSA-N 481.911 4.626 5 40 JJBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CCCCC2)c(C)c1 409367371 VBFMGHGEARRTSE-UHFFFAOYSA-N 473.595 4.791 5 40 JJBB CCOC(=O)c1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3CCc2ccccc2)cc1 2195752 GDTSTJPEGFZNNX-UHFFFAOYSA-N 489.535 4.703 5 40 JJBB CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 6878343 FHFQVTVSHUWTAP-UHFFFAOYSA-N 460.947 4.511 5 40 JJBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)cc3oc12 9129516 KIJRMBKQZTUJKQ-UHFFFAOYSA-N 455.507 4.951 5 40 JJBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9730587 VTMALPXYFQHBFL-NDEPHWFRSA-N 497.599 4.642 5 40 JJBB biogenic O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 9988256 GDVALVOVQXPQED-UHFFFAOYSA-N 461.478 4.984 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1 12493781 CVMHDBJCQSBMSC-CYBMUJFWSA-N 451.464 4.728 5 40 JJBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 39755940 GWSAHNZZPRCBMZ-NTCAYCPXSA-N 456.414 4.516 5 40 JJBB O=C(COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)cc1 40488363 VFUBCHGRLZIKDV-UHFFFAOYSA-N 450.838 4.983 5 40 JJBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 230003646 RCLIYRAWEGKYHJ-YCAMKHIRSA-N 499.910 4.647 5 40 JJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-] 408537055 ULAHHDYUVBTQJG-YTXTXJHMSA-N 498.083 4.986 5 40 JJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(-c2nc3ccccc3o2)c1O 8993008 VUYKYHUTKZFWOP-UHFFFAOYSA-N 474.473 4.506 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3ccccc3c2=O)c(C)c1 9141307 ZGBNUVJBHDRZJW-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 9303150 XHJPICMRXHBYBX-HBMCJLEFSA-N 484.295 4.953 5 40 JJBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] 12377959 FVDKMCGREKRZGS-HSZRJFAPSA-N 482.500 4.790 5 40 JJBB COc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20140688 DJXJJXWMUIEIST-UHFFFAOYSA-N 464.430 4.877 5 40 JJBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 32124733 UDIJPYONSPQPOJ-YVLHZVERSA-N 450.925 4.569 5 40 JJBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32126268 UNRXSGFFZDGIAW-UHFFFAOYSA-N 460.475 4.890 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 408566372 FMBVRUZUXDRFRD-FQEVSTJZSA-N 478.958 4.755 5 40 JJBB O=C(O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409139403 APNUDVKICDRTSK-VIZOYTHASA-N 468.365 4.527 5 40 JJBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccccc1 793571 LWWAGCRRLBSOPD-UHFFFAOYSA-N 475.530 4.890 5 40 JJBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8831413 JLAVUFBGPNSINN-UHFFFAOYSA-N 452.492 4.576 5 40 JJBB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060293 BVVAEYXHSTXRQL-GOTSBHOMSA-N 455.474 4.576 5 40 JJBB Cc1ccc(NC(=O)[C@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 12566936 RSRMTQUHTKMFCN-XMMPIXPASA-N 464.449 4.928 5 40 JJBB O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12590927 ZSAKDQRTCFCXFJ-UHFFFAOYSA-N 481.608 4.825 5 40 JJBB CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 26780127 NYUBSMQXGONDTH-GAJHUEQPSA-N 484.513 4.784 5 40 JJBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851682 KMUSJELYDWZHEY-ONJIFJTESA-N 489.528 4.553 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36316835 WYCBNYHPRJBYPC-PSELDJGJSA-N 485.565 4.722 5 40 JJBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833177 DZEUBQVPQSKODU-UHFFFAOYSA-N 495.586 4.636 5 40 JJBB O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 9057300 GYMFMGPTWDDZCS-UHFFFAOYSA-N 493.932 4.926 5 40 JJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)o2)cc1 9284407 GCZSOAAHZYGRLI-SFHVURJKSA-N 482.497 4.514 5 40 JJBB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12823270 OLSUNZDVOPAKNA-UHFFFAOYSA-N 460.515 4.941 5 40 JJBB C[C@H]1C[C@@H](N(C=O)c2ccccc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13590354 MJCNBFNMWQPNBC-QMHKHESXSA-N 460.446 4.646 5 40 JJBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223434044 NHFIZIPEZGALEE-RPBOFIJWSA-N 485.569 4.962 5 40 JJBB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1 409368612 DZEVVJMLWOUDRR-NBJYBMASSA-N 465.303 4.752 5 40 JJBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 10010309 GIARLSULKLWJEA-UHFFFAOYSA-N 490.501 4.844 5 40 JJBB CC1CCN(c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C2CC2)CC1 11423220 ZHJFOZMICKSLNQ-UHFFFAOYSA-N 499.622 4.612 5 40 JJBB O=C(c1ccc(Cl)cc1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 19202809 RDVMHZVUXFAGOP-UHFFFAOYSA-N 468.874 4.967 5 40 JJBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3cccc(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 20153115 DUDJXJGWUQLJTR-UHFFFAOYSA-N 494.573 4.710 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)cc1F 108143476 RRPZZOJCINTZNW-TVPGTPATSA-N 488.255 4.855 5 40 JJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225864869 ZOACRVQFTUAUSL-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB Cc1c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409178005 ICMXMDMYZRQZKQ-UHFFFAOYSA-N 453.363 4.869 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 3467922 XXLOROMBSQAYJC-AWEZNQCLSA-N 461.430 4.596 5 40 JJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 6146818 XCBWNNAKGYUVNZ-UHFFFAOYSA-N 467.837 4.580 5 40 JJBB Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)c(C)c1 9599930 YXZXMGOYAPWHLI-UHFFFAOYSA-N 471.564 4.663 5 40 JJBB CCCOC(=O)c1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1N1CCOCC1 10059866 QIOJNDGSJIMNIK-UHFFFAOYSA-N 479.489 4.511 5 40 JJBB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2 34700962 YVBRWBCNRJHUOV-UHFFFAOYSA-N 485.543 4.709 5 40 JJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]12 59433432 MDTZQDXNDUZTLX-ZOVQAKDCSA-N 454.482 4.564 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409201512 LUGZYQJCNNQYMI-BUESGFEBSA-N 458.492 4.850 5 40 JJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccccc2)nn1-c1ccccc1 3295671 DRAJIYNMOIXJBL-UHFFFAOYSA-N 457.442 4.671 5 40 JJBB CCOc1cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OC 40146849 DFKDYHQCFWKQEQ-UHFFFAOYSA-N 466.538 4.877 5 40 JJBB COCCNc1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 62587352 KNGRZZNAEJBENP-UHFFFAOYSA-N 484.578 4.683 5 40 JJBB CC[C@H]1C[N+]2([O-])CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 72320128 SSQAXSNCMRBPGJ-ZVPMWPAWSA-N 496.648 4.956 5 40 JJBB biogenic,in-vitro Cc1cccc(NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 6442604 IQVVMNRDOLZPIR-UHFFFAOYSA-N 474.546 4.827 5 40 JJBB Cc1ccccc1N1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O 9089991 SZIZUGUDGRYZFG-ATIYNZHBSA-N 470.485 4.747 5 40 JJBB Cn1cnnc1Sc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 9130923 FUCRCAMSMQQHRH-NRFANRHFSA-N 458.503 4.646 5 40 JJBB CC(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2CCCN2CCCC2=O)cc1 12600485 RNDOSRPEXMKGFQ-IZHYLOQSSA-N 464.547 4.572 5 40 JJBB COc1cc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c([N+](=O)[O-])cc1OC 20228063 ABRHYJOGLOZYFR-DEOSSOPVSA-N 456.458 4.931 5 40 JJBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2O)c(C)c1 38178590 FUZDUHKFRUUKIX-UHFFFAOYSA-N 475.530 4.896 5 40 JJBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 57313782 KFJMSFULBHASOT-WYMLVPIESA-N 488.544 4.811 5 40 JJBB O=C(c1ccc(Br)cc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 101064387 BKAHTEOQRMKSPK-UXHICEINSA-N 494.301 4.654 5 40 JJBB Cc1ccc(Cn2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)cc1 2618714 ZFLMFRKBNVWADW-UHFFFAOYSA-N 475.526 4.820 5 40 JJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372864 GHEPRPDHKANLBY-UHFFFAOYSA-N 463.456 4.901 5 40 JJBB CSc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 10636134 DCZNTIADNNRECD-UHFFFAOYSA-N 453.486 4.684 5 40 JJBB COc1ccc(C(=O)CSc2c([N+](=O)[O-])nc(C)n2Cc2ccccc2)cc1Br 27246923 ABQSCTZVXMRCEE-UHFFFAOYSA-N 476.352 4.894 5 40 JJBB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205698483 IZQOVGSKXSTLEQ-LICLKQGHSA-N 463.309 4.993 5 40 JJBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225125088 NEUIGRUYROYXRD-HSZRJFAPSA-N 497.592 4.547 5 40 JJBB CC(=O)n1cc([C@H](C[N+](=O)[O-])S[C@@H](C[N+](=O)[O-])c2cn(C(C)=O)c3ccccc23)c2ccccc21 2274807 DRDRLXGKXSYHFT-ZEQRLZLVSA-N 494.529 4.985 5 40 JJBB Cc1nn(-c2ccccc2)c(O)c1C(c1cccc([N+](=O)[O-])c1O)c1c(C)nn(-c2ccccc2)c1O 8440927 WRRFXZYQZFHEOL-UHFFFAOYSA-N 497.511 4.880 5 40 JJBB CCOC(=O)c1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccccc1OC 9312130 SSNGSLSJLVRUHU-UHFFFAOYSA-N 489.436 4.773 5 40 JJBB O=C1N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 9845966 STCWGDMMKPUQAS-WQRHYEAKSA-N 468.263 4.710 5 40 JJBB CCc1ccc(-n2nc(C)c(=O)c(-c3ccc(OC)cc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 11692021 KYPKEUJZIVRJTH-UHFFFAOYSA-N 484.512 4.939 5 40 JJBB CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820571 GHLHCNTYFJXKOP-RPWUZVMVSA-N 484.512 4.568 5 40 JJBB COc1ccc(C(=O)COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1F 23274488 PAMZWJYZNAZVKX-UHFFFAOYSA-N 462.480 4.698 5 40 JJBB CNC(=O)[C@H](c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1C)Cc1cccc([N+](=O)[O-])c1C 58311396 LNMLYAXIYIKEJB-DEOSSOPVSA-N 462.506 4.609 5 40 JJBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 106753957 GTVPSHHPTHDSPO-PXNMLYILSA-N 495.307 4.605 5 40 JJBB COc1ccc(Br)cc1-c1cc(C(=O)O)c2c(-c3ccc([N+](=O)[O-])cc3)[nH]nc2n1 20492169 IACLLJNLFCQNFD-UHFFFAOYSA-N 469.251 4.669 5 40 JJBB Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 25445375 AZOFHFJZGOORJF-SNVBAGLBSA-N 499.467 4.824 5 40 JJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408923176 AMPQUFIRZVDRHW-UHFFFAOYSA-N 491.978 4.921 5 40 JJBB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060401 RFPOWBXUAVXHSC-VXKWHMMOSA-N 455.474 4.576 5 40 JJBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3ccccc3c2=O)c1 10368237 XOIWWQHGBFLLKH-UHFFFAOYSA-N 474.542 4.950 5 40 JJBB COc1cc(NC(=O)COC(=O)c2oc3ccc(Br)cc3c2C)c(C)cc1[N+](=O)[O-] 12565806 IRLJTRTUFVAHLB-UHFFFAOYSA-N 477.267 4.524 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)cc1 14154879 FCSLQRUZBUQAGH-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl 95469911 RPBAYEQRXACRFU-JOCHJYFZSA-N 451.910 4.847 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@]23C(=O)Nc2ccccc23)cc1 106021472 GWWBCAZAJVPJLP-INADMSBESA-N 485.565 4.722 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1 6157208 VDSCKLPLCSVVSQ-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(F)c1 9158331 AAKFPPQJMGPDMD-UHFFFAOYSA-N 479.471 4.508 5 40 JJBB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 13130414 RHGLAGNXGBWCIS-UHFFFAOYSA-N 492.893 4.850 5 40 JJBB CCOc1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC 25521581 RXTHHWSWHGUVDH-UHFFFAOYSA-N 463.534 4.661 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223943210 WGWCPKQMFCIHKP-OAHLLOKOSA-N 478.376 4.920 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409145444 QGKWXAZPSBIRKZ-DEOSSOPVSA-N 463.515 4.630 5 40 JJBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 2225166 IYMUKTDMLCYSDA-NRFANRHFSA-N 453.410 4.901 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccnc(-c3cccnc3)n2)cc1CS(=O)(=O)c1ccc(Cl)cc1 8762200 KEZFTUYZWYSXKP-UHFFFAOYSA-N 466.906 4.741 5 40 JJBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 12492138 KGSINJSPMCLOQV-UHFFFAOYSA-N 475.910 4.700 5 40 JJBB CC(C)(CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 21835459 PPJUTGFFLRTJIX-UHFFFAOYSA-N 483.512 4.605 5 40 JJBB O=C1CCc2ccc(OCCCC[N+]3([O-])CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 38461207 ZNYNDJDSFMRJPS-UHFFFAOYSA-N 464.393 4.872 5 40 JJBB in-vitro CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(F)c(F)c1F 408607480 SOAQLOQYVBHTHT-WEVVVXLNSA-N 477.395 4.895 5 40 JJBB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408918102 GDSJCFRXKMWSCH-YQORSWRPSA-N 465.292 4.995 5 40 JJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409216049 HNPQLQIKFYGTKB-LICLKQGHSA-N 464.883 4.888 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)n1 3314669 NLPYGDMYASLSAO-IBGZPJMESA-N 483.571 4.862 5 40 JJBB COc1ccc(Oc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)ccc2OC)cc1 12910225 LQKHJZUVKGOCIJ-OAHLLOKOSA-N 495.463 4.535 5 40 JJBB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)n1 14360445 FNADUBGNKPETJA-UHFFFAOYSA-N 470.464 4.878 5 40 JJBB COc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc2ccccc2c1Br 20611799 AYYDNARGRJVIDT-UHFFFAOYSA-N 486.322 4.608 5 40 JJBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223552680 WVOYAYBDFLCEAE-GOTSBHOMSA-N 457.515 4.818 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 8832593 GDNYJPUAOFHYIQ-UHFFFAOYSA-N 470.938 4.524 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1ccc(C)cc1 8871122 BOOWGSUSYHOROF-UHFFFAOYSA-N 489.535 4.931 5 40 JJBB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ncnn21 10060440 LTMYNOCFVHSBAD-DHIUTWEWSA-N 469.501 4.885 5 40 JJBB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 32876748 IPLGTHREXKFUBT-UHFFFAOYSA-N 460.515 4.587 5 40 JJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408683540 LNWCSNXDMKNCPP-GJZGRUSLSA-N 476.316 4.634 5 40 JJBB CCOC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4018276 OVGWDPFFLMFOJK-JOCHJYFZSA-N 465.462 4.668 5 40 JJBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 8923544 QSODWOGCCQXMPF-HSZRJFAPSA-N 471.296 4.909 5 40 JJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 9461734 FFULGIMEDVJLPN-UHFFFAOYSA-N 467.916 4.994 5 40 JJBB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 32854087 JFDMLXXHVCGNNY-BCHFMIIMSA-N 489.528 4.928 5 40 JJBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2731170 UNLPHLPCAMRPRT-NSHDSACASA-N 476.925 4.536 5 40 JJBB CCCC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(CCC)n3c4ccccc4nc3c12 9242698 YZGMLKPTCFTXNF-UHFFFAOYSA-N 461.566 4.508 5 40 JJBB COc1cc2c(cc1NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)oc1ccccc12 11025186 KAYYIMOBBDNOOA-UHFFFAOYSA-N 454.822 4.952 5 40 JJBB CCOc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1 409008806 IPQZFWBITONNOG-HYARGMPZSA-N 458.426 4.557 5 40 JJBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409347024 NAIZLIDLCJQRKC-UDWIEESQSA-N 479.470 4.538 5 40 JJBB COc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 9124738 NFUGOZNGQRCOPH-UHFFFAOYSA-N 464.503 4.682 5 40 JJBB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9662199 AFHJZVKLTJPXIQ-UHFFFAOYSA-N 460.538 4.822 5 40 JJBB COCCCn1c(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 13127969 OZCCHKHNTFAFGE-UHFFFAOYSA-N 489.985 4.891 5 40 JJBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 40717455 SZIKCWURYANRMS-UHFFFAOYSA-N 476.533 4.802 5 40 JJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCC)c(OCC)c2)cc1 408574067 UNPZSVVFDXAMGS-JOCHJYFZSA-N 472.567 4.882 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9291695 JUJYJBMCGMULIJ-BDTNDASRSA-N 463.877 4.608 5 40 JJBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 12539437 KCGSLHSCTVPHIQ-UHFFFAOYSA-N 457.442 4.614 5 40 JJBB CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 19212189 OPIODELEFQSQPM-UHFFFAOYSA-N 486.502 4.778 5 40 JJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409235629 COFUMJNAGWJQBU-UDWIEESQSA-N 474.429 4.697 5 40 JJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C 409351459 ULIFUFYERMONCN-UHFFFAOYSA-N 477.546 4.803 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C 3302751 OMCQBPVBCJZDFR-INIZCTEOSA-N 490.541 4.730 5 40 JJBB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 9064981 AVPVLPRZCWTUQY-UHFFFAOYSA-N 462.487 4.847 5 40 JJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1Cl 9601630 XETQPUDRCLZWKF-GRSHGNNSSA-N 494.356 4.975 5 40 JJBB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 16523727 MWVPQBDFNRPZCN-UHFFFAOYSA-N 466.910 4.622 5 40 JJBB COc1cccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 19928593 XXDOIHUMNJFEKS-UHFFFAOYSA-N 485.305 4.603 5 40 JJBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808490 LHXBEALTCFEOFJ-UWUFEASWSA-N 461.905 4.624 5 40 JJBB O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408750641 PTEVYTQXLFXXHM-UHFFFAOYSA-N 491.506 4.996 5 40 JJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409213228 TVZBZYZWWNHUFQ-YSUUHWHMSA-N 493.541 4.976 5 40 JJBB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OCC 2636368 QRXLVBCYZQODQI-CQSZACIVSA-N 485.518 4.700 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 6136528 MAWVVVLZPIIOQT-UHFFFAOYSA-N 475.530 4.506 5 40 JJBB CC[C@H]1CCc2sc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c5cnccc45)CC3)cc2C1 9339427 GQAGPWZNVXYGBI-INIZCTEOSA-N 450.564 4.682 5 40 JJBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)c(C)nc21 9462046 JODNAPWSGFOQAI-KRWDZBQOSA-N 459.937 4.733 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 11410405 LUKFAPMJGRWODN-UHFFFAOYSA-N 480.937 4.930 5 40 JJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(Br)cc1O 106729187 DCHYFSYHJFIANJ-IUXPMGMMSA-N 479.308 4.698 5 40 JJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1cccc(Cl)c1 409153920 JFVWBTYWNUANBQ-CHHVJCJISA-N 452.275 4.577 5 40 JJBB CCOC(=O)c1c(NC(=O)COc2cccnc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 3360987 KRRVXLKYHCFVOQ-UHFFFAOYSA-N 455.492 4.529 5 40 JJBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC 9487483 RXGPWAZNXKNXFK-OFVILXPXSA-N 498.967 4.849 5 40 JJBB CCc1ccc(Nc2nnc(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)s2)cc1 9512044 AKMGEKVBLBYGBQ-UHFFFAOYSA-N 459.553 4.800 5 40 JJBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Br 20847247 WPZKRFMNYPUBQY-UHFFFAOYSA-N 484.715 4.948 5 40 JJBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cccc([N+](=O)[O-])c1 21576161 BUHZAQBUVSXCKY-UHFFFAOYSA-N 470.485 4.556 5 40 JJBB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1Cl 39612095 CWNRTFOBWWYDEE-JOCHJYFZSA-N 477.904 4.814 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222566299 AGTYTJNLJDVIRE-CVDCTZTESA-N 471.623 4.593 5 40 JJBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633886 MSTOFSGDQGRWNC-LDADJPATSA-N 471.926 4.851 5 40 JJBB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2092597 UPADPZFEOKPQGK-QHCPKHFHSA-N 479.554 4.553 5 40 JJBB biogenic Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccc([N+](=O)[O-])cc4)n3n2)n1 2969193 PYXWYIZYDWXAGS-UHFFFAOYSA-N 459.535 4.534 5 40 JJBB Cc1c(-c2ccccc2)oc2c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cccc2c1=O 9459345 NGSZGILXSHESDJ-UHFFFAOYSA-N 473.437 4.900 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 9849953 WTQWLIKGJYLMQW-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)Nc4ccc(Br)cc4)cc3oc12 13591382 DJNUEAXBBXBKGY-UHFFFAOYSA-N 454.276 4.740 5 40 JJBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851738 CIEPJQVBYARERO-CHQSNSNVSA-N 485.565 4.722 5 40 JJBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C 40071931 IOXFQKMTKKRAFH-UHFFFAOYSA-N 488.544 4.679 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223556955 GMUUXAPFRAXYGO-RPWUZVMVSA-N 487.541 4.826 5 40 JJBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223772897 BTEFPWHNVSHJBB-DNQXCXABSA-N 471.542 4.966 5 40 JJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2304235 FATGVVAEMBNCPJ-UHFFFAOYSA-N 475.552 4.962 5 40 JJBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 6150804 USXBZQXBSTVHJL-UHFFFAOYSA-N 471.561 4.909 5 40 JJBB Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2cc1Cl 8835408 SCNUWTSDRSIMLE-UHFFFAOYSA-N 475.983 4.893 5 40 JJBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(Cl)cc1Cl 106700882 BPSSLQFZMARJIH-XRVIQIRUSA-N 453.259 4.867 5 40 JJBB CCOc1ccccc1CSc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 13135039 YUDJBRUGJPUALA-UHFFFAOYSA-N 450.582 4.706 5 40 JJBB O=[N+]([O-])c1ccc2c(c1)nc(SC[C@@H]1COc3ccccc3O1)n2C[C@H]1COc2ccccc2O1 16525004 VSXVRBNVULAKSU-ROUUACIJSA-N 491.525 4.717 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102759798 JQULETKQGCNLTD-HBMCJLEFSA-N 499.401 4.545 5 40 JJBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223482070 ZNHSWNBXQMAYGM-XZOQPEGZSA-N 457.515 4.818 5 40 JJBB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225564393 PDGCKZNEVDGUQK-NRFANRHFSA-N 481.593 4.925 5 40 JJBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1c(Cl)cccc1Cl 408574733 DEGHLZXQBQDNAY-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409026537 RQIHWAQCAUAWGH-UHFFFAOYSA-N 480.329 4.736 5 40 JJBB Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2751175 ONJNAIYRFSGJRO-HSZRJFAPSA-N 454.442 4.741 5 40 JJBB Cc1ccccc1C(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9057301 JDTCNCOLWONEAK-UHFFFAOYSA-N 473.514 4.581 5 40 JJBB O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13305244 BDTISXSDDFGUPE-CQSZACIVSA-N 468.080 4.695 5 40 JJBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1cc2ccccc2o1 22743815 OSIUOBARWGWSRA-UHFFFAOYSA-N 486.484 4.682 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1I 32517137 UZOCDHUVSCEJBU-UHFFFAOYSA-N 461.053 4.523 5 40 JJBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 102772002 GWWBCAZAJVPJLP-PSELDJGJSA-N 485.565 4.722 5 40 JJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222941467 SGIXRISRAPUCNV-FGZHOGPDSA-N 452.536 4.887 5 40 JJBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O 224832875 IUNMYEWQRUVPHN-UHFFFAOYSA-N 491.610 4.514 5 40 JJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)cc1 409411931 NTYLVNRELZWFJO-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 9064906 NVVQRURKBDJVDS-UHFFFAOYSA-N 462.487 4.852 5 40 JJBB CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 9311953 ZFMWFUYXJHHUAG-MDZDMXLPSA-N 495.561 4.875 5 40 JJBB O=C(Cn1cnc([N+](=O)[O-])c1-c1ccc(F)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 12535085 YVGHQJUDJPLXAF-UHFFFAOYSA-N 494.504 4.664 5 40 JJBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)ccc2[N+](=O)[O-])n1 13633042 GICWNCRSDFUUQU-UHFFFAOYSA-N 474.348 4.667 5 40 JJBB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccc(Cl)cc1[N+](=O)[O-] 29697199 VJZSKZHZWMTIIG-UHFFFAOYSA-N 482.301 4.660 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 102707745 HXXMZGFZVHQYJX-SDHOMARFSA-N 465.465 4.799 5 40 JJBB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 408990042 WABYCYQRSNXAJV-BKUYFWCQSA-N 472.453 4.866 5 40 JJBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1[N+](=O)[O-] 3333458 CUKBTMZGDDCAOA-UHFFFAOYSA-N 462.487 4.613 5 40 JJBB aggregator COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2)c1C 13401192 SZCMRRJLOZEJTR-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20043539 YJEUOKBQUITTPY-UHFFFAOYSA-N 475.910 4.618 5 40 JJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2nccs2)cc1 44086564 YWCSAUXIQJMEHJ-UHFFFAOYSA-N 451.533 4.943 5 40 JJBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102733482 BNRPMTUMQDZPAK-NJYVYQBISA-N 484.295 4.953 5 40 JJBB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224821614 VIWBGAZSMLCVDL-SFHVURJKSA-N 461.584 4.507 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 9175407 JYSHAHRZAHASPP-UHFFFAOYSA-N 480.933 4.987 5 40 JJBB COc1cc(NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)cc1[N+](=O)[O-] 9545962 FXSUEGIRBAFUIY-UHFFFAOYSA-N 478.379 4.986 5 40 JJBB CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 9969986 BECAVDLQJVZONH-DEOSSOPVSA-N 460.530 4.977 5 40 JJBB O=S(=O)(CCn1c2ccc(Br)cc2c2nc3ccccc3nc21)c1ccccc1 13693156 XUFNIBXBERWUGL-UHFFFAOYSA-N 466.360 4.974 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223905451 XHPYZYVHBLWBHV-OAHLLOKOSA-N 478.376 4.920 5 40 JJBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC 6162838 XDAPPDJSUJYXGQ-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1C 13856795 JMAMYEIKHSBQTQ-HXUWFJFHSA-N 488.496 4.783 5 40 JJBB Cc1c([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 24760925 VOWVMUIBEPLGDE-LBPRGKRZSA-N 468.457 4.684 5 40 JJBB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CC3 34807535 ZQXGNZXYSYLZHP-PTNGSMBKSA-N 473.416 4.879 5 40 JJBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 3255933 FLPMFOZUEWYVRA-UHFFFAOYSA-N 460.368 4.548 5 40 JJBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 8926618 XSNQYCLKZJYVAG-UHFFFAOYSA-N 473.894 4.909 5 40 JJBB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccccc1[N+](=O)[O-])OCc1ccccc1 19911133 DFFPCLXLSPHOFZ-OAQYLSRUSA-N 459.458 4.519 5 40 JJBB C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 20448642 JTWTXEDHBYRQLX-CQSZACIVSA-N 471.922 4.640 5 40 JJBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1[N+](=O)[O-] 408556801 LPXIGESHNWKZKZ-UHFFFAOYSA-N 473.514 4.853 5 40 JJBB CCc1nnc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408633304 XQUPCWQEHXOWJX-ODLFYWEKSA-N 450.476 4.761 5 40 JJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1 2269132 RSCBGPJKQPHBAF-UHFFFAOYSA-N 455.883 4.736 5 40 JJBB O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1Cl 9698623 GHYLJILBHNBRBJ-UHFFFAOYSA-N 471.922 4.642 5 40 JJBB O=C1N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1F 9846156 AZINOSIINCMQKO-YDZHTSKRSA-N 470.460 4.830 5 40 JJBB CCc1ccc(-n2nc(C)c(=O)c(-c3ccc(OC)cc3)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 11692019 JAWYTWVOJJZPOT-UHFFFAOYSA-N 484.512 4.939 5 40 JJBB CCOc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1 16688070 YNQCBTNGDACODQ-UHFFFAOYSA-N 473.165 4.720 5 40 JJBB COc1cc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OC 32615938 WLSDOGUYLCMCAL-UHFFFAOYSA-N 483.481 4.621 5 40 JJBB CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccc(OC)cc3C2=O)c([N+](=O)[O-])c1 102946924 LESPCZRUADHTRY-QNGOZBTKSA-N 459.458 4.642 5 40 JJBB COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1OC 408632933 HRTYLIFZQLTSLK-OVCLIPMQSA-N 463.855 4.533 5 40 JJBB CCOc1cc(NC(=O)c2ccccc2OC)c(OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1324593 ZHZKFDRQBQAWAU-UHFFFAOYSA-N 479.489 4.905 5 40 JJBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 8923540 VXYADGUKNQEIQZ-QHCPKHFHSA-N 471.296 4.909 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 12566919 KRBRSBLOBZVHFV-UHFFFAOYSA-N 452.426 4.806 5 40 JJBB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13102253 JLJSPGUEJVGDBH-ZHACJKMWSA-N 483.843 4.688 5 40 JJBB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154395 YFKTUVLELBVJNF-RMKNXTFCSA-N 486.450 4.935 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225173970 NLKSAQQZYSLBPS-SJORKVTESA-N 478.014 4.813 5 40 JJBB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 892312 XFBDIJHQURQTQF-UHFFFAOYSA-N 455.492 4.958 5 40 JJBB Cc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1C 914259 WTOOCUGLFSZDTL-UHFFFAOYSA-N 469.563 4.577 5 40 JJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1C 13980912 KMDMKYUWEXQAGM-UHFFFAOYSA-N 459.911 4.918 5 40 JJBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222756358 ZCAZFSHQZVMAPT-LJQANCHMSA-N 466.365 4.776 5 40 JJBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224632306 PYPIZPITZQWWBI-QHCPKHFHSA-N 471.623 4.716 5 40 JJBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1 408558945 UPPNPAJXONDQLB-UHFFFAOYSA-N 475.910 4.700 5 40 JJBB Cc1c(N2C(=O)S/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)C2=O)c(=O)n(-c2ccccc2)n1C 1248135 BSPZJTFMGUMBOP-DFQGPDHMSA-N 496.932 4.756 5 40 JJBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)ccc1Cl 1866243 AECDDBPUTMBVTN-UHFFFAOYSA-N 461.912 4.797 5 40 JJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1Cl 2253096 YIUJDRRJZLFKHQ-QGZVFWFLSA-N 459.937 4.733 5 40 JJBB COc1cc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc(OC)c1 8792113 FOMMONYJBXWPRX-UHFFFAOYSA-N 479.492 4.627 5 40 JJBB biogenic COc1cc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c(C)cc1[N+](=O)[O-] 9509850 XEBBLHNBUGJYLF-UHFFFAOYSA-N 459.553 4.855 5 40 JJBB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12862323 CQQSFLOEDZEUPO-UHFFFAOYSA-N 472.295 4.636 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 17857310 HXXMZGFZVHQYJX-DSNGMDLFSA-N 465.465 4.799 5 40 JJBB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 408594134 GCDVSJGQPDQAGL-UHFFFAOYSA-N 463.519 4.669 5 40 JJBB COC(=O)c1sc2ncn3nc(-c4cccc(COc5ccc(C)cc5[N+](=O)[O-])c4)nc3c2c1C 2804912 VNZRZECNBSCYME-UHFFFAOYSA-N 489.513 4.897 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3256818 KLRFGKMFZPANTC-QCUKBLKESA-N 470.478 4.915 5 40 JJBB Cc1c(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC(C)(C)C2)cccc1[N+](=O)[O-] 8443693 QJVRZRDCBHZSRU-WXTAPIANSA-N 496.564 4.865 5 40 JJBB COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc2ccccc2c1Br 8833227 OZGGGIWJIQTXHB-UHFFFAOYSA-N 474.336 4.954 5 40 JJBB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10213522 PYILBDFRCYUHBU-JTQLQIEISA-N 464.318 4.745 5 40 JJBB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12560160 LBOMAAWWWBEAOW-DHZHZOJOSA-N 459.428 4.812 5 40 JJBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 102741940 GJVYHXULAHPFTM-NJDAHSKKSA-N 484.295 4.953 5 40 JJBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1 408658390 VACPOCJPCQJTLS-LJQANCHMSA-N 478.888 4.694 5 40 JJBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(OC)cc1 408843605 MKNXDVFWKPOLNN-KGENOOAVSA-N 488.452 4.566 5 40 JJBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2C)c1C 2768018 MHYYPMZKINGRIM-UHFFFAOYSA-N 467.503 4.954 5 40 JJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 9576715 WUVNEPSYAWSGQW-UHFFFAOYSA-N 476.441 4.828 5 40 JJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 9585032 VNVNEABEJOQFHA-HSZRJFAPSA-N 495.285 4.761 5 40 JJBB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 20111766 UFZICYSLNXTLDG-VWLOTQADSA-N 459.502 4.907 5 40 JJBB biogenic CCCCC(=O)Oc1cn(CCN2CCOCC2)c2nc(CCCC)n3c4ccccc4nc3c12 20403674 NJEOBRMWWRFFSS-UHFFFAOYSA-N 477.609 4.608 5 40 JJBB CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-] 35271997 XYWFAGBYDDQFRZ-UHFFFAOYSA-N 465.849 4.700 5 40 JJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225644111 AUUAEIMUVHSSQX-JTSKRJEESA-N 475.586 4.689 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 8398895 VRHZVPCSDKLZDH-UHFFFAOYSA-N 451.395 4.584 5 40 JJBB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC 8836192 MAELGRJYCNVOHT-CJFMBICVSA-N 461.474 4.863 5 40 JJBB CCCCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 8879036 NWZRZMOINMTBFO-UHFFFAOYSA-N 457.530 4.919 5 40 JJBB biogenic C[C@@H]1CCCN(c2cc(Nc3ccc(I)cc3)c([N+](=O)[O-])c3nonc23)C1 9009662 DNJFSOXSBUHYPS-LLVKDONJSA-N 479.278 4.716 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2)cc1 14413355 RPMDJYHZHXZYJG-UHFFFAOYSA-N 473.938 4.699 5 40 JJBB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)O[C@H](C)C2 15583723 GEOQSZXCDLELSS-VXGBXAGGSA-N 453.417 4.775 5 40 JJBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 35165745 SOHLPJRJYDTVKJ-QTZVNIFKSA-N 488.931 4.552 5 40 JJBB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 229874930 AXVIKEQTAYLUKG-ASDGIDEWSA-N 484.512 4.557 5 40 JJBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C 408639792 ZNGUPCNERJGYAR-HXUWFJFHSA-N 488.496 4.783 5 40 JJBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 2642374 ZJJGGSNDDZHJHV-UHFFFAOYSA-N 457.442 4.614 5 40 JJBB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)c2cccc([N+](=O)[O-])c2)c1 9057304 VJTGDMVMYLYQLR-UHFFFAOYSA-N 487.541 4.889 5 40 JJBB CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9114530 DKWLHBUAJBPVTK-SNVBAGLBSA-N 456.505 4.581 5 40 JJBB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224644257 SFBAEVYYGWWPQC-QGZVFWFLSA-N 490.025 4.958 5 40 JJBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408573945 UFIBRFYUJBSUTE-IBGZPJMESA-N 493.383 4.856 5 40 JJBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1[N+](=O)[O-] 868707 PVZPJEQWFAJEAZ-UHFFFAOYSA-N 459.531 4.806 5 40 JJBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12 8831102 MYCWIDITBZBOAD-UHFFFAOYSA-N 455.565 4.548 5 40 JJBB O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1cccc(Br)c1 9600021 ACEJRDMMWFPYHX-UHFFFAOYSA-N 451.327 4.753 5 40 JJBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 9891994 YGSUOHUMZVKOPP-UHFFFAOYSA-N 477.565 4.539 5 40 JJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 16476483 DKKZFFNACKYBFD-HXUWFJFHSA-N 487.249 4.980 5 40 JJBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nn12 57316988 HWBPBAWVIKJJBZ-UHFFFAOYSA-N 491.577 4.812 5 40 JJBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409169938 RUVXZDRDQUBKIM-MOSHPQCFSA-N 476.514 4.677 5 40 JJBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccncc3)n2C)c2ccccc2)c([N+](=O)[O-])c1 12529218 MCPZGTDQCOGOEW-FQEVSTJZSA-N 460.519 4.566 5 40 JJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC)cc1 13871573 BNWFVFXQYABYEB-OAHLLOKOSA-N 455.540 4.639 5 40 JJBB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 59489089 FHCSNBUWGLVXNI-JOCHJYFZSA-N 455.392 4.871 5 40 JJBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1Cl)[C@H]1CCCN12 408563290 AEPQMIHRTVIBJM-YUHKXCSQSA-N 489.959 4.974 5 40 JJBB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 9820259 WVFXIXDSFVUTBI-UHFFFAOYSA-N 463.726 4.970 5 40 JJBB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 12555051 LPPJDBJJCFZJQD-CQSZACIVSA-N 481.471 4.725 5 40 JJBB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 13062652 IGWNWUKYASRUPU-UHFFFAOYSA-N 465.940 4.912 5 40 JJBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20356931 NTGOTLSURBGTIP-UHFFFAOYSA-N 486.532 4.888 5 40 JJBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccccc23)cc1 20519127 QPGZIVYPMJDZHQ-QRXMYIDTSA-N 485.565 4.722 5 40 JJBB COc1ccc(-c2nc3c(sc4nc(C(F)F)cc(C)c43)c(=O)[nH]2)cc1Cn1cc([N+](=O)[O-])cn1 22818729 RYCMOZHZLJZKKT-UHFFFAOYSA-N 498.471 4.607 5 40 JJBB CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 68885772 MTAXIYGNAYHJPE-LBPRGKRZSA-N 483.575 4.853 5 40 JJBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC 408565043 BBJRFNAZBHSXDR-SFHVURJKSA-N 493.383 4.856 5 40 JJBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408569114 IWRVAEZGVMVFAI-LJQANCHMSA-N 493.383 4.774 5 40 JJBB O=C(OCC(=O)c1cccc2ccccc12)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409179943 QPRVYJAMTVYTHF-UHFFFAOYSA-N 475.478 4.621 5 40 JJBB COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1Cl 2284260 CRPIUQRLDOZTLD-RMKNXTFCSA-N 463.881 4.951 5 40 JJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 13401211 GLXNYXAYFQECBK-UHFFFAOYSA-N 453.476 4.564 5 40 JJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 976118 FCXSDGAXAFAVEN-INIZCTEOSA-N 460.519 4.665 5 40 JJBB Cc1c(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C(C)(C)C)c(=O)n(-c2ccccc2)n1C 1776550 XIXUQQDDBCVNBZ-BZZOAKBMSA-N 463.563 4.910 5 40 JJBB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16194786 WKSFZGDLUCJQIE-UHFFFAOYSA-N 470.825 4.670 5 40 JJBB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16323231 VDZRIWQPSSYCGU-UHFFFAOYSA-N 465.472 4.639 5 40 JJBB CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257374 SMKYREVIGBBHPJ-OAHLLOKOSA-N 458.902 4.813 5 40 JJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2sc3c(c2c1=O)CCCC3 33516374 VLGGZMJWHBNOJF-UHFFFAOYSA-N 478.983 4.649 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)c(C)c1 247860882 GCOCJEDTOZNSAO-ROXDYWFKSA-N 493.519 4.610 5 40 JJBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2685933 MBHHTOJLMGYQCY-NRFANRHFSA-N 457.820 4.710 5 40 JJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 8387306 YMIKHXWCZNPXKP-WOJGMQOQSA-N 476.357 4.548 5 40 JJBB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3[N+](=O)[O-])c3cc(Cl)ccc32)cc1 8922794 VJQWOGSFHOFTBP-DEOSSOPVSA-N 450.878 4.564 5 40 JJBB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9159263 XNDHHGZUAKIRSO-QHCPKHFHSA-N 474.444 4.637 5 40 JJBB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 9323723 MGEOUEYVOOIEHI-WOJGMQOQSA-N 478.910 4.519 5 40 JJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223397244 YAAFOXMJLCKLOV-ZEQRLZLVSA-N 455.543 4.953 5 40 JJBB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 409356173 FKVBFUIBGXNNJZ-WSDLNYQXSA-N 476.466 4.977 5 40 JJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)n1 3279375 QAQSUPMZSRIACY-CQSZACIVSA-N 469.544 4.646 5 40 JJBB COc1ccc(-c2nc(C(=O)OCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])cs2)cc1 11508795 UVJOYIBPKXVGSI-UHFFFAOYSA-N 466.418 4.694 5 40 JJBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 13646160 XRYDYBKKKRWOKG-QXTIUPHPSA-N 491.503 4.968 5 40 JJBB Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 17051101 ITHXHBJGPWCAMU-UHFFFAOYSA-N 491.953 4.869 5 40 JJBB O=c1c2ccc3c(=O)n(CC[C@@H]4C=CCCC4)c(=O)c4ccc(c(=O)n1CC[C@@H]1C=CCCC1)c2c34 20494365 XIDBIBBOJQPMLX-WOJBJXKFSA-N 482.580 4.558 5 40 JJBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43730787 LHXBEALTCFEOFJ-QNIAMRLHSA-N 461.905 4.624 5 40 JJBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2Cl)cc1 409325429 YLVCOBWOBAWKFC-UHFFFAOYSA-N 487.965 4.695 5 40 JJBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1Br 409373846 VKOLFPKXLYZYSC-YCIYHOANSA-N 489.325 4.543 5 40 JJBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3cccc(Br)c3)nc21 2236339 LSWRTUFOZYQPDT-UHFFFAOYSA-N 472.342 4.726 5 40 JJBB O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10039969 FQBQCZXZZCHYAG-UHFFFAOYSA-N 485.290 4.623 5 40 JJBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 32127107 JFCKMNZIQBCGEZ-VMPITWQZSA-N 454.899 4.683 5 40 JJBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408684456 NJKUOSYMBRZZAF-ZNOIYHFQSA-N 490.343 4.880 5 40 JJBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(OC)c1 868993 HQYFJDWYJSKYEA-UHFFFAOYSA-N 491.529 4.591 5 40 JJBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1C 3321180 LHKZQOWOGMJYDM-UHFFFAOYSA-N 482.514 4.907 5 40 JJBB COCCn1c(-c2ccc(C(C)(C)C)cc2)nc2oc3ccc(Br)cc3c(=O)c2c1=O 8836284 GHJVDTAARDZRTG-UHFFFAOYSA-N 483.362 4.876 5 40 JJBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 102710840 PAKCWQZRQFKPKC-CCDWMCETSA-N 487.512 4.825 5 40 JJBB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6878384 OWBKPLIGSSHRNA-UHFFFAOYSA-N 460.947 4.511 5 40 JJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 9491740 QDBJDGDSPOBAGG-OAQYLSRUSA-N 484.306 4.920 5 40 JJBB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc([N+](=O)[O-])ccc1Br 19927301 ONQOXXAKAQDFHC-UHFFFAOYSA-N 498.156 4.880 5 40 JJBB CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 22566149 LDCYIPVBXYLXBT-UHFFFAOYSA-N 458.946 4.573 5 40 JJBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 2423479 HMXONFXYOIGCCF-LJQANCHMSA-N 481.258 4.802 5 40 JJBB COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 9128773 XIANHHRMBLROFT-HXUWFJFHSA-N 465.531 4.732 5 40 JJBB O=C(Cc1csc(-c2cccs2)n1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9891466 IGSUIBSTZXCTRY-UHFFFAOYSA-N 456.471 4.569 5 40 JJBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 9968758 HMNBSYYQNVRWTR-UHFFFAOYSA-N 451.460 4.703 5 40 JJBB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 10441907 NZVGPNFHHAJYCV-MRXNPFEDSA-N 460.515 4.722 5 40 JJBB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14275932 KWDIPMFPSRNKAU-UHFFFAOYSA-N 481.347 4.614 5 40 JJBB COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(C)C)cc1 26786980 MNUTWCFYLIAIQN-UHFFFAOYSA-N 484.530 4.826 5 40 JJBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223263908 SGFIMUXIYPDSIZ-RLWLMLJZSA-N 473.573 4.692 5 40 JJBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223286236 KREDDLKPLHADCJ-LJQANCHMSA-N 484.405 4.688 5 40 JJBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408564818 FWFHVVXWGGGWBF-HTZSSYRZSA-N 499.567 4.719 5 40 JJBB O=[N+]([O-])c1ccn(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)n1 13960753 NWFKVRLWAAXUET-UHFFFAOYSA-N 460.238 4.868 5 40 JJBB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 14279257 WYXVKHRRWJICKF-XBXARRHUSA-N 477.348 4.612 5 40 JJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 14291034 HVIGMZBXPOSWNC-UHFFFAOYSA-N 480.952 4.588 5 40 JJBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2413733 PKMIOMNOHYAUGX-UHFFFAOYSA-N 469.545 4.897 5 40 JJBB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 8497967 ZOBDWJWOXOOQBT-VUUXHMSQSA-N 474.900 4.741 5 40 JJBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(Cl)ccc1N1CCCCC1 18086110 MUJOLFFTMCBKMW-UHFFFAOYSA-N 458.902 4.565 5 40 JJBB Cc1csc(Sc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2[N+](=O)[O-])n1 18104787 VUOBJGAJEXUQGC-UHFFFAOYSA-N 454.533 4.890 5 40 JJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223632134 QPNYJACYOHSZTH-QFIPXVFZSA-N 487.622 4.559 5 40 JJBB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(C)(=O)=O 225445615 QHXNEXIUVNXHOH-UHFFFAOYSA-N 467.547 4.739 5 40 JJBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 103953677 PKPFHGIUQUSLQN-XQUALCHDSA-N 499.910 4.647 5 40 JJBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224644212 SFBAEVYYGWWPQC-KRWDZBQOSA-N 490.025 4.958 5 40 JJBB