smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 8427175 CIJWSAIDFWWBJJ-UHFFFAOYSA-N 460.229 3.761 5 40 JHBB COc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(C)cc1[N+](=O)[O-] 9544844 PSXBBUXXCKTLDR-UHFFFAOYSA-N 452.467 3.569 5 40 JHBB Cc1ccc(CN(C)C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 20459686 ZZHSGVOHHQWCNM-UHFFFAOYSA-N 453.520 3.757 5 40 JHBB O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 25856572 OILZGKQJBUWCBG-HSZRJFAPSA-N 461.474 3.968 5 40 JHBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224560611 VIDKISLLLRRQIL-QFIPXVFZSA-N 499.564 3.857 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409150247 AYCUEDCCJVKFND-SOFYXZRVSA-N 461.839 3.652 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2F)n[nH]1 409160645 VIVPAEGXWXFMRS-SFHVURJKSA-N 472.502 3.710 5 40 JHBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccc2c(c1)OCCO2 3451582 UDBNNSKFTJSJLE-SFHVURJKSA-N 493.969 3.530 5 40 JHBB COc1ccccc1-n1c(SCC(=O)NC(=O)NC2CCCC2)nc2cc([N+](=O)[O-])ccc21 8746302 ZFLWALHRUHGNFJ-UHFFFAOYSA-N 469.523 3.803 5 40 JHBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223733574 IUTOUUWHTUHSKJ-FCHUYYIVSA-N 465.535 3.706 5 40 JHBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225220473 RKUAIBSIZGNHDF-IBGZPJMESA-N 477.945 3.969 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408661824 CYCKIKZVBJCFNY-UHFFFAOYSA-N 485.493 3.842 5 40 JHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 408663163 GSNFVXBHOKLHBE-UHFFFAOYSA-N 485.493 3.759 5 40 JHBB CCOc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 13563957 XNXJKHGEFJCZGR-NUJGCVRESA-N 483.527 3.539 5 40 JHBB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 20410844 LLZQGYUFFXTEHM-UHFFFAOYSA-N 468.422 3.861 5 40 JHBB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 29891450 IXUDPYPMBSPRAL-UHFFFAOYSA-N 467.503 3.631 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)=O)cc1CSc1ncccn1 32957985 ZLKLIGZDRLAZOV-UHFFFAOYSA-N 468.491 3.906 5 40 JHBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@@H](c2nnc3n2CCC3)C1 89768310 SRIZMTBHYDUNJH-MRXNPFEDSA-N 492.502 3.774 5 40 JHBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1[N+](=O)[O-] 408656040 FFCPJQNVPNRXKA-UHFFFAOYSA-N 485.493 3.617 5 40 JHBB C[C@H](NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9545908 XBBRBZZZQDGQEA-IOAHRDFVSA-N 499.593 3.752 5 40 JHBB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9717101 JVTFLSSGOWRGMU-UHFFFAOYSA-N 462.428 3.703 5 40 JHBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 13424467 ZLCFNWKDDNSRGH-SFHVURJKSA-N 484.494 3.671 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408665956 MVZLNGPIHDHGOU-UHFFFAOYSA-N 485.493 3.842 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2)n[nH]1 409157190 UNPMFLCDHXEXJR-SFHVURJKSA-N 454.512 3.571 5 40 JHBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409345182 KFMYTZQWIMGCBB-TWGQIWQCSA-N 466.450 3.609 5 40 JHBB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2096012 ZYUGUAWCSFDFQE-QFIPXVFZSA-N 481.526 3.926 5 40 JHBB biogenic CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 4157254 HPEWGXNFVOQSAH-UHFFFAOYSA-N 474.425 3.834 5 40 JHBB COc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 8425269 LCEPVUQLAOPTHT-INIZCTEOSA-N 459.343 3.802 5 40 JHBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc(OCC)c1OCC 20611730 FZINWRMUDYAUAR-UHFFFAOYSA-N 459.499 3.880 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25620894 KBSJOPXUDTYDPX-OAQYLSRUSA-N 486.956 3.880 5 40 JHBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 101309662 XOSWYGDIPOUBBO-UHFFFAOYSA-N 461.953 3.893 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 101488597 JIOXPDIBCVUSDH-ACESQOTJSA-N 459.502 3.853 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc2ccccc12 409047195 NPURBJMQNPUQHY-WLGHQHAYSA-N 499.548 3.860 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)cc1I 14271102 OPXGTFNJCKCZJN-UHFFFAOYSA-N 455.277 3.943 5 40 JHBB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccccc1[N+](=O)[O-] 16449256 WDYMQPFOTNQNGD-UHFFFAOYSA-N 476.839 3.642 5 40 JHBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 58865130 YWOKQAFSJTYMSC-XXMKCSCWSA-N 481.533 3.933 5 40 JHBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 205745823 LQGKVLFHFDCDNW-VXLYETTFSA-N 472.475 3.782 5 40 JHBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223231938 MQDZGDCPFMEQON-INIZCTEOSA-N 477.945 3.969 5 40 JHBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224950867 WEHNIBGNECIYDN-SFHVURJKSA-N 499.564 3.857 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224979094 FYZAQAJAFVMPMM-QGZVFWFLSA-N 459.568 3.780 5 40 JHBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCOCC2)c(C(C)(C)C)c1 226071431 RYIWWWZJZOWVPD-OAQYLSRUSA-N 459.563 3.688 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 8896801 IWROAPLPEUUIBO-UHFFFAOYSA-N 489.557 3.684 5 40 JHBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCCN1CCCCC1 9860258 QITREPIIRRJKOG-UHFFFAOYSA-N 496.619 3.907 5 40 JHBB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])ccc1F 13042527 CXUNFZQGGUNGSO-OKILXGFUSA-N 485.559 3.510 5 40 JHBB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Br)c1 20410885 PFKGOMYORGWCSL-UHFFFAOYSA-N 464.316 3.828 5 40 JHBB CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@]1(c2ccccc2Cl)CCCCC1=O 21577504 GPUPDTIXQUSLNS-FQEVSTJZSA-N 450.900 3.964 5 40 JHBB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)nc2c1 22997512 RNZYRCPIOONIKH-UHFFFAOYSA-N 456.524 3.582 5 40 JHBB COc1ccccc1[C@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC1 68734297 QJMDEGUOGABUFI-NRFANRHFSA-N 482.537 3.635 5 40 JHBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408670910 JSJJYGAGRUPMPE-NIKGAXFTSA-N 480.473 3.569 5 40 JHBB CN(C)CCCNC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 2461541 PKJSSSRJJJWVKY-XLNRJJMWSA-N 462.506 3.694 5 40 JHBB Cc1ccc(S(=O)(=O)CCCC(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 10218218 GLRYDFHGEONLIJ-UHFFFAOYSA-N 490.607 3.662 5 40 JHBB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504129 WLHDZTSIZYWZKM-QFIPXVFZSA-N 465.558 3.647 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 14279929 UCAPLNMGXHXTIC-OAHLLOKOSA-N 475.523 3.628 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N2CCc3nc(-c4ccccc4)ncc3C2)c([N+](=O)[O-])c1 40139288 PHPIMYAVTKOVBX-UHFFFAOYSA-N 467.551 3.645 5 40 JHBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccc(F)cc3)cc3c(=O)n4ccccc4nc32)cc1 101136819 SANAEUPIGVRXRW-UHFFFAOYSA-N 467.504 3.554 5 40 JHBB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1 101621230 LHOPYEDKVQLXMD-GMAHTHKFSA-N 454.442 3.580 5 40 JHBB CC1(C)CC(=O)C(C(c2cc3c(cc2[N+](=O)[O-])OCO3)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 102424931 GHXGJSMXCYNZNU-UHFFFAOYSA-N 457.479 3.556 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225010128 NDSWXGJRHLAJEC-QGZVFWFLSA-N 459.568 3.780 5 40 JHBB CCOC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408750618 PLTLVHJCSSRLHR-UHFFFAOYSA-N 461.477 3.810 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 409119863 RFRQFVVQOJVIIL-UHFFFAOYSA-N 481.836 3.680 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2122030 QWOCTLVLSFTXMA-WIOPSUGQSA-N 476.533 3.576 5 40 JHBB biogenic CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 8990786 QLOIBOOOXUQHLZ-UGWJNKPKSA-N 459.502 3.852 5 40 JHBB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9670305 ZBXGUGXGBCKJPR-UHFFFAOYSA-N 467.931 3.605 5 40 JHBB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 10021979 BVPGVFVGGROMBL-NSHDSACASA-N 471.388 3.572 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C(CC)CC 11691287 PSVSSCFFAPJRGA-OLFWJLLRSA-N 472.545 3.738 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18156866 IIKLQEGSDUZIGC-SGNDLWITSA-N 489.484 3.972 5 40 JHBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408569693 XABLNNCRZMLGFU-PBNJOUANSA-N 488.338 3.521 5 40 JHBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 408607601 TYLUKIVDAGEGIE-PABFRNLHSA-N 480.477 3.621 5 40 JHBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2333399 UIPRTPNOTRSCHL-UHFFFAOYSA-N 457.534 3.950 5 40 JHBB CCCc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 223529382 HVACHQNGNKFWBH-UHFFFAOYSA-N 497.573 3.938 5 40 JHBB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N(C)C1=S 9296077 BCTLQWCRIQEQQC-YBEGLDIGSA-N 462.325 3.966 5 40 JHBB COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 9613155 NZMORGJXKJUWLF-UHFFFAOYSA-N 499.501 3.508 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 10434123 SIKLYUIRYOOLQR-UHFFFAOYSA-N 465.837 3.980 5 40 JHBB O=[N+]([O-])c1cc2c(c(CSc3nnnn3-c3ccc(OC(F)(F)F)cc3)c1)OCOC2 15521546 RLJUUPNRMHAXHS-UHFFFAOYSA-N 455.374 3.628 5 40 JHBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 24445385 FUWHCIHLXDNNKX-DEOSSOPVSA-N 495.557 3.968 5 40 JHBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 32576782 ZFKIQLFDZGKBDV-HNNXBMFYSA-N 455.467 3.540 5 40 JHBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101219891 DHGIUBDALMJMCI-UHFFFAOYSA-N 483.959 3.803 5 40 JHBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3OC)C(=O)O)n[nH]2)c1 408633756 OZHGSNKGOSWVJI-CAOOACKPSA-N 488.478 3.632 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@@H]2C1 408660211 WMTHFCMMEOKLPX-TYCQWZJGSA-N 461.474 3.565 5 40 JHBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 408668959 RMNMGUVIPUTFME-ORYQWCPZSA-N 491.500 3.541 5 40 JHBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409066094 ALIVIHUALBTCHW-DTQASYIRSA-N 473.419 3.893 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9109106 WCJWZSMIIAVBEH-LWSSLDFYSA-N 498.470 3.762 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@H]2C(=O)c1ccc(F)cc1 9192008 FIJHVXBCEJWKML-NAVOZUGXSA-N 498.470 3.804 5 40 JHBB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12650946 RJILVFCNAXBXGY-UHFFFAOYSA-N 450.495 3.769 5 40 JHBB Cn1nnnc1Sc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 13149086 UPNIKUFUXSCYNY-UHFFFAOYSA-N 464.960 3.586 5 40 JHBB Cc1cc(Cl)ccc1NC1=NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 17195793 ONAUUOZCZJZPBW-HNNXBMFYSA-N 463.859 3.904 5 40 JHBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN21 36089846 IAXLBQNFSIAZQD-INADMSBESA-N 484.512 3.907 5 40 JHBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 89780795 NYNJNWZKFGZNFE-UHFFFAOYSA-N 495.941 3.608 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc2ccccc2o1 101177208 RDEOXGUMXXPVJO-WEMUOSSPSA-N 470.485 3.894 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccccc1C 102918832 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469.281 3.996 5 40 JHBB aggregator CC1CCN(S(=O)(=O)c2ccc(N3CCC([C@@H](O)c4ccccc4)CC3)c([N+](=O)[O-])c2)CC1 12554200 WLWXJPDMYZTJKH-DEOSSOPVSA-N 473.595 3.965 5 40 JHBB COC(=O)c1cc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 13133697 GZLDYMVILPFZRR-UHFFFAOYSA-N 455.467 3.801 5 40 JHBB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)C(=O)[C@H]12 18209209 XAIPPTIVYPTSJP-IBNJYYFUSA-N 482.876 3.990 5 40 JHBB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 20009106 BGMGCHCNMOFSBG-OAQYLSRUSA-N 483.546 3.749 5 40 JHBB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22231225 QSRCMVOULHRQSY-UHFFFAOYSA-N 455.492 3.579 5 40 JHBB O=C(c1ccncc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 36330178 UAADHONVUAJZAA-ZGXDEKTJSA-N 454.486 3.898 5 40 JHBB CCCCCn1/c(=N/C(=O)c2ccc(OC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920549 OELARNLYHRVLKR-RMLRFSFXSA-N 488.544 3.766 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O 408653928 QDDTUOPIRIARMB-XUFNMVPLSA-N 475.501 3.811 5 40 JHBB COc1cc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OC 9569363 DHVWESVNXOKHTP-NRFANRHFSA-N 492.481 3.598 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504855 USTBFEKSEIMVOK-XMMPIXPASA-N 491.502 3.819 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409227481 ZCTPVWCDGWOJFQ-GIDUJCDVSA-N 481.845 3.777 5 40 JHBB Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 12533833 RAZOBKKEKHYFKH-OAHLLOKOSA-N 460.556 3.642 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 103544156 WFAKJLUYOGNQNN-VPBXCIAMSA-N 479.492 3.989 5 40 JHBB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 107960600 VTERLZMBUKJFRF-CYBMUJFWSA-N 488.957 3.907 5 40 JHBB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 854850 DFGAFSHBNZPTNK-MRXNPFEDSA-N 458.190 3.967 5 40 JHBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 8831528 UUJFKAAKUWLZHN-UHFFFAOYSA-N 467.536 3.813 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3nnc4n3CCCCC4)c([N+](=O)[O-])c2)C1 9314453 UDYIZVQZMPMKNB-FXAWDEMLSA-N 488.614 3.675 5 40 JHBB CCOc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 9847252 WVYLDMQUGJCXIE-UHFFFAOYSA-N 490.582 3.999 5 40 JHBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)s1 15391446 RVPKTSYGDNLNJQ-UHFFFAOYSA-N 496.910 3.913 5 40 JHBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 15391763 DZFVIHRBZANHQO-OAQYLSRUSA-N 478.578 3.874 5 40 JHBB Cc1ccc(NC(=O)/C=C2/NC(=O)[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)S2)cc1 16035800 PHIXTUAKLKXTSS-DZGUVLCISA-N 460.899 3.597 5 40 JHBB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408674168 YPZSOAFCTTUDHW-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB CC(=O)Nc1cccc(NC(=O)CS(=O)(=O)c2ccc(SC(F)(F)F)cc2[N+](=O)[O-])c1 1794515 VOPNUKGOCWCYAJ-UHFFFAOYSA-N 477.442 3.578 5 40 JHBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@@H](O)c1ccccc1 8792172 GGVWCRUTWHSYLG-XMMPIXPASA-N 463.493 3.821 5 40 JHBB biogenic CC[C@@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 20216200 FFTDYOLCQKHPRP-CYBMUJFWSA-N 496.549 3.877 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 57317195 FLCLUVOFILXCLN-UHFFFAOYSA-N 460.490 3.818 5 40 JHBB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223011885 UHRGYHHCZKVJFQ-INIZCTEOSA-N 475.552 3.605 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408678734 CTOHBRPWXJJANV-RFVSGWPVSA-N 481.892 3.686 5 40 JHBB O=C(NC1=S=C(c2ccc([N+](=O)[O-])cc2)N=N1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408710509 YJJXLAYZSKLYKN-UHFFFAOYSA-N 490.457 3.950 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1886045 FWCDVACSHKTJGD-RPLLCQBOSA-N 496.523 3.970 5 40 JHBB biogenic Cc1cc(C(=O)OCCN(Cc2ccccc2)C2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583479 BVIAFBDCEQZWCV-UHFFFAOYSA-N 479.514 3.711 5 40 JHBB CC[C@@]1(c2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)CCC(=O)NC1=O 5541754 ZYEWDZIBJWUOAY-VWLOTQADSA-N 457.442 3.633 5 40 JHBB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 9223570 PGHWORCVLCHUCC-UHFFFAOYSA-N 499.549 3.808 5 40 JHBB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(NCCO)c([N+](=O)[O-])c1 9631597 AXMCPZMSQIJMPO-UHFFFAOYSA-N 465.487 3.985 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 12930366 LAYAEZPNFPRLOL-UHFFFAOYSA-N 489.937 3.963 5 40 JHBB Cc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1[N+](=O)[O-] 15391460 PFIUBWRKHZLHRD-UHFFFAOYSA-N 488.503 3.568 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cccc1[N+](=O)[O-] 16250133 UMOMFNXPCCGIBT-UHFFFAOYSA-N 468.457 3.885 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22705683 QVXVLPUOTLVECO-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820844 RTZXIDWJACEXCC-SLMZUGIISA-N 462.481 3.506 5 40 JHBB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 245225551 XZYJFTCOIUPDHU-OTWHNJEPSA-N 450.605 3.611 5 40 JHBB Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 9209340 RWGYUMSBNZEGJW-UHFFFAOYSA-N 460.556 3.642 5 40 JHBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(I)cc1 59200732 YYCYFIWNAGFUFT-UHFFFAOYSA-N 482.259 3.980 5 40 JHBB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223891248 XYBZZWCAPMXKFW-HNNXBMFYSA-N 462.344 3.843 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408665918 ZQJMACGHMCELAS-SNHGZMDHSA-N 481.892 3.519 5 40 JHBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br 8826622 LYSKHOXVBRRGIZ-MRXNPFEDSA-N 459.343 3.802 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CCN(Cc2ccccc2)CC1 15207661 ZJAZQGGZUWERBC-UHFFFAOYSA-N 458.584 3.846 5 40 JHBB COc1ccc(OC)c2c1CN(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)C[C@H]2O 32772682 DCDXQFFQZWQYJF-HXUWFJFHSA-N 455.511 3.538 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccccc1C 100820964 ANSFOCAKUXWEOR-ZXPTYKNPSA-N 492.535 3.924 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224968906 VFQOVZAUEJFGOZ-OAQYLSRUSA-N 471.554 3.604 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br 408653231 DOSUOTSDDBJYQY-CQSZACIVSA-N 490.310 3.509 5 40 JHBB Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 408705868 PBHKOTQYLQCEMD-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 3275379 OPRQPBQDWIINRM-NSHDSACASA-N 492.897 3.969 5 40 JHBB CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC(=O)Nc1ccc(F)c(F)c1F 3345400 OCMQGLUNEFPCDI-UHFFFAOYSA-N 458.824 3.955 5 40 JHBB COc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 20482562 YQZMURQWJZBSQE-KRWDZBQOSA-N 499.545 3.685 5 40 JHBB CCCCCn1/c(=N/C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920464 NTTRQAXZCIDJQB-BYNJWEBRSA-N 476.508 3.896 5 40 JHBB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222627510 ONTYOCICJQSDJR-UHFFFAOYSA-N 467.547 3.928 5 40 JHBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCC 408566827 PCZUPJAPJTWOGY-QJVOSDODSA-N 490.354 3.815 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408570629 LQBDUTWAOLGDOV-KMBZULAFSA-N 477.492 3.982 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(NC(C)=O)c1 408637713 NRKJNYOTPITOJZ-UHFFFAOYSA-N 470.511 3.571 5 40 JHBB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 6904316 ZUGFNCHNDWWBGB-FPAXGFGJSA-N 470.481 3.765 5 40 JHBB Cc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 13669649 KUTADWAJOCFUKB-UHFFFAOYSA-N 467.547 3.848 5 40 JHBB COc1ccccc1[C@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1 15128627 PJLLTNRVOQXQQL-NRFANRHFSA-N 462.572 3.539 5 40 JHBB COc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 17227483 LRMPRNDOTHLUDD-UHFFFAOYSA-N 450.860 3.950 5 40 JHBB Cc1cc(-n2c(C)cc(C(=O)COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2C)no1 24499068 RYGHLCCYGOEXLG-UHFFFAOYSA-N 466.494 3.941 5 40 JHBB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 32126491 AUCVTYRLMDGSLE-UHFFFAOYSA-N 470.463 3.584 5 40 JHBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 62581101 LKTVNRJGTRAACA-UHFFFAOYSA-N 451.932 3.743 5 40 JHBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 205798120 UCKOJCMQUUJLJU-XDHOZWIPSA-N 471.491 3.912 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(O[C@H](C)CC)c3)CC2)c([N+](=O)[O-])c1 408577000 ZIUKZKNDXYKLBM-QGZVFWFLSA-N 455.511 3.911 5 40 JHBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408777291 XNGNZUVYGLVMRW-RQLGBQGVSA-N 487.562 3.994 5 40 JHBB CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)CC1 408994994 KIXQUUVXIRFCCG-UHFFFAOYSA-N 452.536 3.526 5 40 JHBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1Br 10810228 WSQVEWYYCXCDLI-CYBMUJFWSA-N 470.345 3.551 5 40 JHBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 21742472 IPILZAPTYVYQOS-JOCHJYFZSA-N 484.468 3.577 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 225565237 YSBWJPORGFHCSU-UHFFFAOYSA-N 495.542 3.947 5 40 JHBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1Cc1ccccc1 8826430 BCUOENOLFVLVAF-UHFFFAOYSA-N 451.479 3.505 5 40 JHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19868633 UHWAHUMFSXZPMT-UHFFFAOYSA-N 455.895 3.568 5 40 JHBB COc1ccc(C)cc1NC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32754003 BIPXNTHUJVNIBC-UHFFFAOYSA-N 494.470 3.902 5 40 JHBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)cc1 225667402 OCCWWQFSBDNVGR-KRWDZBQOSA-N 459.568 3.779 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408646916 JBYJICRSGBPCIC-QHGDMDKLSA-N 475.501 3.645 5 40 JHBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)ncn1 1747997 SFSWCBFHTQJVJV-UHFFFAOYSA-N 485.503 3.661 5 40 JHBB O=C(COc1cccc(Cl)c1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1891951 OIKAHVBTOQENTC-UHFFFAOYSA-N 453.885 3.555 5 40 JHBB CCCCc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9159903 CDVIPZOZYINBAZ-UHFFFAOYSA-N 472.505 3.593 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(CN(C)C)cc3)cc2)cc1[N+](=O)[O-] 15171758 ASBRCOJANIXWJH-UHFFFAOYSA-N 482.562 3.696 5 40 JHBB O=C(COC(=O)c1cccc(N2CCCC2=O)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 19480644 ROSZFZDMLPYWJE-UHFFFAOYSA-N 451.357 3.536 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223813200 BJMDWHORNLYYHI-SFHVURJKSA-N 469.538 3.767 5 40 JHBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409181051 ZRJKOVIFLCVXBL-GMMLXXJASA-N 496.475 3.660 5 40 JHBB Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 9064551 LYRVQPZXLGXQEH-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 39986565 DPMUAQOWTDZJGG-UHFFFAOYSA-N 455.920 3.605 5 40 JHBB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 48272518 NEHJEMFWAZCYMC-UHFFFAOYSA-N 477.473 3.889 5 40 JHBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 96866224 OFOAWOVHFOEFTI-LICLKQGHSA-N 460.899 3.756 5 40 JHBB Cc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 223528832 MOXBQYOWJQLNOS-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB 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483.546 3.830 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797558 HCGPSFPSANXTGG-IBGZPJMESA-N 453.495 3.570 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 43732356 PFPUIGUNWPTKRQ-BYPCIHSKSA-N 471.469 3.699 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222777674 VIAKEDALTPQJOS-KRWDZBQOSA-N 457.527 3.623 5 40 JHBB O=C(O)/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632352 DTQBXHVCOOLJMI-MLPAPPSSSA-N 463.815 3.865 5 40 JHBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 20412604 QSXKNSKUMPTOFH-UHFFFAOYSA-N 460.918 3.570 5 40 JHBB COc1ccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)c(OC)c1OC 20492248 UUUIQFYPCQYJKN-UHFFFAOYSA-N 450.407 3.924 5 40 JHBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 33414864 IXLZMIRGBDEKKN-UHFFFAOYSA-N 474.930 3.520 5 40 JHBB 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O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 100959508 WCJWZSMIIAVBEH-NEWJYFPISA-N 498.470 3.762 5 40 JHBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 409182273 JOPIXJOUGKGQRE-UHFFFAOYSA-N 471.491 3.594 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O 9434012 OXRUBTNLKHVWQU-XMSQKQJNSA-N 456.886 3.679 5 40 JHBB O=C(COc1ccccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1F 12537861 HJZJETSCJSMQHD-UHFFFAOYSA-N 467.409 3.547 5 40 JHBB COc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 12556225 FWMDZHIBCQRXLH-UHFFFAOYSA-N 476.555 3.609 5 40 JHBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 23227591 UAMJLTBNOLZSJK-HNNXBMFYSA-N 483.477 3.558 5 40 JHBB Cc1c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 107650187 RKSCOLYAPBRMJU-UHFFFAOYSA-N 457.483 3.872 5 40 JHBB CCCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1 225268109 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O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408737725 OEOHBHPDOUNKCS-SFHVURJKSA-N 466.475 3.985 5 40 JHBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1C 409343135 DOCNXROEVQCKAK-PKNBQFBNSA-N 466.450 3.691 5 40 JHBB O=c1n(-c2ccc(OC(F)(F)F)cc2)cnn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 12958447 DQSBRTLBMJHWAC-UHFFFAOYSA-N 479.249 3.757 5 40 JHBB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16215849 OHUPOCUOJVTGAP-RUDMXATFSA-N 494.495 3.859 5 40 JHBB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Br 20410775 RKTJGIPIDMWCQH-UHFFFAOYSA-N 450.289 3.845 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22271668 XPIVISWLVYNGRW-QFIPXVFZSA-N 469.519 3.522 5 40 JHBB O=C1[C@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 29543002 VMJNHXBDENAVBL-QHCPKHFHSA-N 491.573 3.942 5 40 JHBB CCOC(=O)COc1c(I)cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC 408541130 BQPFWYMSGTYXCO-WAYWQWQTSA-N 488.234 3.617 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408660228 WPKHHDPGHUJCQD-JSNMRZPZSA-N 483.908 3.910 5 40 JHBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 408665135 UOMOGHHQFFSEHP-UHFFFAOYSA-N 464.272 3.566 5 40 JHBB Cn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cccc([N+](=O)[O-])c1 409133313 SBVIXVIXLDHHKW-UHFFFAOYSA-N 495.302 3.726 5 40 JHBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409255326 YSXDXPDRHNWEMS-MOSHPQCFSA-N 460.446 3.949 5 40 JHBB COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2N)c([N+](=O)[O-])cc1OC 651328 CMZSQPNAHRPKTA-XDHOZWIPSA-N 462.462 3.604 5 40 JHBB CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9121259 MDYLGNGYGKYBJT-UHFFFAOYSA-N 451.435 3.939 5 40 JHBB CCCn1/c(=N/C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 9222278 GVJXDGCROLTWEB-XAYXJRQQSA-N 478.936 3.939 5 40 JHBB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9717167 SNOHAXJANXIKPT-UHFFFAOYSA-N 453.402 3.934 5 40 JHBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2 12522550 DEQURJOIYOEMHH-QHCPKHFHSA-N 455.511 3.720 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cc(C)cc(C)c1 101176628 NGLIBHVWSLRBIV-OLFWJLLRSA-N 472.545 3.840 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408648779 KFTDCVTZCXQKRN-XWRIVVANSA-N 481.892 3.686 5 40 JHBB COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 2921129 UDQHODZHEGCKFL-UHFFFAOYSA-N 452.463 3.625 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 8914808 IOFZUMYZTXNVLA-SHQCIBLASA-N 496.523 3.970 5 40 JHBB biogenic CCCn1/c(=N/C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 11690703 WFIRFTMZDDETQX-WEMUOSSPSA-N 458.518 3.594 5 40 JHBB CCn1c(=N)c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc2c(=O)n3ccccc3nc21 100963539 RUIZJCVVJQZBCS-UHFFFAOYSA-N 489.586 3.545 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223786178 MQJMGDYTHNJOKT-SFHVURJKSA-N 469.538 3.767 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408678202 CTOHBRPWXJJANV-MMACOIQUSA-N 481.892 3.686 5 40 JHBB Nc1ccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] 8746920 FJRNQSBSQOGYQE-IBGZPJMESA-N 468.853 3.958 5 40 JHBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 8831100 BYAJXZKTKRKHLU-UHFFFAOYSA-N 471.564 3.785 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br 14271008 GVNGUPFIHOESJP-UHFFFAOYSA-N 454.302 3.891 5 40 JHBB Cc1ccc(NC(=O)[C@H](OC(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 23077198 RBXVVCOORKMLKQ-OAQYLSRUSA-N 458.430 3.677 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)NC1CCCCCC1 39995776 IOQLYVFZNYWOJH-IFXJQAMLSA-N 467.950 3.773 5 40 JHBB CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223655502 DRTKWYRSFCCKEQ-OAQYLSRUSA-N 477.583 3.632 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cccc1[N+](=O)[O-] 408585511 YUNPSEKOOQBSRE-UHFFFAOYSA-N 467.931 3.795 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408641246 CCHDGYLAXHDUPK-CALCHBBNSA-N 469.881 3.664 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 409199922 FTCUKPLAOVAAQH-YBFXNURJSA-N 464.409 3.834 5 40 JHBB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409373252 STKBUTVSJVQQAN-KWMZMRFFSA-N 468.465 3.648 5 40 JHBB CC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 6074236 UTQQZUMCQVXGLL-UHFFFAOYSA-N 453.476 3.631 5 40 JHBB Nc1nc(N)nc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)n1 8965765 VBWXSPLQOHPNDM-UHFFFAOYSA-N 462.417 3.594 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504766 QKGAGAXRBFPESB-XMMPIXPASA-N 491.502 3.819 5 40 JHBB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C3)C2 18084046 YBSIRQJZJRSEAT-ZXPDZVFASA-N 483.443 3.570 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247308406 HNVGXGHZRLFXTL-QPXUXIHVSA-N 498.470 3.762 5 40 JHBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)n2nnc3ccccc32)cc1 248249157 OGWHSRIFGMCRDG-CXSMSNRLSA-N 467.485 3.793 5 40 JHBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2426659 BAZHBJTXXYCZSQ-UHFFFAOYSA-N 471.517 3.790 5 40 JHBB Cc1cc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)ccc1[N+](=O)[O-] 3583488 KMSAWRWMLSVRGN-UHFFFAOYSA-N 465.487 3.716 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 14331330 VEHGFQCGMWWSOI-UHFFFAOYSA-N 459.446 3.887 5 40 JHBB Cc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3NCCO)[C@H](c3ccco3)C2)cc1 57364227 MAALVAHSVWNUBU-QFIPXVFZSA-N 463.494 3.690 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc([N+](=O)[O-])c1O 108991492 VTEVTXABQQBINC-APSNUPSMSA-N 479.417 3.652 5 40 JHBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223871540 CKQWRQDMQLXXTF-CYBMUJFWSA-N 484.336 3.842 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408659194 VSYBXJPFENTIKK-LJHODMEESA-N 483.908 3.910 5 40 JHBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 9088669 WXENYSPWPAYCBZ-INIZCTEOSA-N 481.214 3.680 5 40 JHBB O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12532156 QISBPABBTYEMMV-UHFFFAOYSA-N 495.875 3.960 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C 16033441 REYINSAEJLLHPS-KJJMTIBFSA-N 475.501 3.734 5 40 JHBB COc1ccc(-c2nc3c(n2C(C)=O)SC(c2ccc([N+](=O)[O-])cc2)=NN3C(C)=O)cc1 16807266 MXIYASQZDZJREX-UHFFFAOYSA-N 451.464 3.947 5 40 JHBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 36732820 DZIGTKBWVAIWLE-GFCCVEGCSA-N 477.374 3.930 5 40 JHBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224782461 DBGLAAIGXGXMSP-UHFFFAOYSA-N 469.519 3.985 5 40 JHBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224950907 WEHNIBGNECIYDN-GOSISDBHSA-N 499.564 3.857 5 40 JHBB O=c1cc(Sc2ccc([N+](=O)[O-])cc2)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl 3104260 NQKBJLCQBJMOGK-UHFFFAOYSA-N 487.847 3.775 5 40 JHBB COc1cc2c(=O)[nH]c3c(C(=O)NC4CCCC4)c4nc5ccccc5nc4n3c2cc1OC 11692067 YBKFMBAMCCSRDS-UHFFFAOYSA-N 457.490 3.567 5 40 JHBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 15481511 DGAKSLANGAEWGW-UHFFFAOYSA-N 496.859 3.681 5 40 JHBB CC1CCN(c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 58247092 SXWKPAIJNGJXLL-JOCHJYFZSA-N 464.566 3.795 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cc(C)cc(C)c1 101176462 XCRQPXBHLUCCJT-NFFVHWSESA-N 458.518 3.765 5 40 JHBB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224649555 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CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409132907 KXLJOWWUOLTQHC-NRFANRHFSA-N 496.593 3.742 5 40 JHBB CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1OCC 58451814 NAPVYFRLXULOSB-UHFFFAOYSA-N 464.906 3.555 5 40 JHBB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9654740 IQACYQBRDAWOAA-UHFFFAOYSA-N 494.548 3.619 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC([C@@H](O)c4ccccc4)CC3)c([N+](=O)[O-])c2)C1 12557999 PQLZITQHAQZBGZ-UUOWRZLLSA-N 473.595 3.965 5 40 JHBB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 13129118 OMOOAESHDYDVDS-MRXNPFEDSA-N 457.527 3.936 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 39987732 CDFMCVSKVGDLRS-OAHLLOKOSA-N 491.957 3.674 5 40 JHBB Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224821819 OKXPLVDVTPIGFC-UHFFFAOYSA-N 483.546 3.678 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408640683 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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 9569295 INFTYRIFMIJQPF-UHFFFAOYSA-N 473.532 3.537 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1 12494796 KKOHCFYUWGVJQM-QAPCUYQASA-N 468.539 3.855 5 40 JHBB O=C1Oc2ccccc2[C@@H]2c3sc(O)nc3S[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]12 35053014 QUNSVPWAELURHX-RRFJBIMHSA-N 455.473 3.537 5 40 JHBB O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619233 LBPSNEYJPYPMDL-UHFFFAOYSA-N 474.868 3.850 5 40 JHBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccc(F)cc3)c2=N)cc1 101163204 UMELOHDUPDQROW-UHFFFAOYSA-N 497.530 3.563 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2cccs2)cc1 408638821 SYOLEAYSBGIFAA-MRXNPFEDSA-N 494.481 3.655 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408684452 NJAIHWZLBUXKFE-HZVDNRATSA-N 453.882 3.837 5 40 JHBB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9662786 DNDRDADKMPXAOF-UHFFFAOYSA-N 480.955 3.897 5 40 JHBB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cs2)cc1 39575242 CJFLWTMRTGBIFN-UHFFFAOYSA-N 454.508 3.964 5 40 JHBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(CCc4ccccc4)c3nc12 100944301 OFYXZOLPJSXERB-UHFFFAOYSA-N 488.544 3.652 5 40 JHBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222840984 ZSDJFVXQNNUREJ-DEOSSOPVSA-N 461.518 3.532 5 40 JHBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223667751 IJKYVRDEPLCOPT-RTWAWAEBSA-N 452.492 3.785 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247358839 YVABIXBWEIIYHN-XQUALCHDSA-N 498.470 3.762 5 40 JHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1cccc(C)c1 409146172 KAKCDFKPZKVFIB-HNNXBMFYSA-N 468.539 3.736 5 40 JHBB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409334584 HKOXGRDYBKFXME-KKSFZXQISA-N 472.494 3.819 5 40 JHBB Cc1ccc(S(=O)(=O)n2cc(Cc3cccnc3)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 6303524 WLXICSFXYUSEFJ-UHFFFAOYSA-N 452.448 3.989 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 9715135 JIIWDGBHTHNMRQ-UHFFFAOYSA-N 465.553 3.509 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2)cc1[N+](=O)[O-] 9977862 NSUPNQKWOYKCKH-UHFFFAOYSA-N 481.534 3.952 5 40 JHBB CC1CCN(S(=O)(=O)c2ccc(N3CCC([C@H](O)c4ccccc4)CC3)c([N+](=O)[O-])c2)CC1 12554201 WLWXJPDMYZTJKH-XMMPIXPASA-N 473.595 3.965 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](CN3CCOCC3)c3ccccc3)c([N+](=O)[O-])c2)C1 12644958 PUROQCBPVVYMFW-CVDCTZTESA-N 488.610 3.501 5 40 JHBB NC(=O)c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 23955936 XRIWSSPLRBVSBK-UHFFFAOYSA-N 466.488 3.879 5 40 JHBB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 103458965 CSZJPPHABIOBLY-SNBNJOFPSA-N 459.502 3.852 5 40 JHBB O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(I)cc2)c1 8834494 AQLWKQITPABURY-OAHLLOKOSA-N 476.317 3.636 5 40 JHBB Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1C 9464323 UJSMFCPOFGXOQY-UHFFFAOYSA-N 461.474 3.790 5 40 JHBB Cc1cc(C)nc(SCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)n1 12494512 VXXFVLQIAIGNPI-CQSZACIVSA-N 473.584 3.850 5 40 JHBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21 16743989 LERGGWKDQGOEMP-INIZCTEOSA-N 465.506 3.922 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851765 BYOKQPLVILKYTH-ILSIFQBBSA-N 472.526 3.809 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851885 VYAITNNQJYRZKQ-APDHKMKFSA-N 472.526 3.809 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 101151153 LVEVNSILPXFQHJ-SMIHKQSGSA-N 489.484 3.972 5 40 JHBB O=C1C2(CCC13COC(c1ccc([N+](=O)[O-])s1)OC3)COC(c1ccc([N+](=O)[O-])s1)OC2 3187388 GIHQOUWSULVPAE-UHFFFAOYSA-N 482.492 3.753 5 40 JHBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@@H]3c1ccc([N+](=O)[O-])cc1 8768293 WONIYRJWWDZCSZ-QGZVFWFLSA-N 450.432 3.620 5 40 JHBB COc1ccc(NC(=O)CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CCCC5)cc1 13811154 YMAICSQTTFXEEO-UHFFFAOYSA-N 479.591 3.913 5 40 JHBB Cc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1F 40150896 XYOCHKDNCGXMGR-UHFFFAOYSA-N 483.474 3.783 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 59398071 XGRIKIQSOQREOF-NFJKTXFASA-N 455.426 3.688 5 40 JHBB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 408664221 ODTMYVTXOYEIKF-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3776578 KOZFSFOOLUUIGY-IYYJOCMQSA-N 467.481 3.655 5 40 JHBB in-vitro CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nn12 10010300 XNOWHWTYRBCCIR-JXMROGBWSA-N 450.480 3.984 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21 13511172 WFAKJLUYOGNQNN-ZFFYZDHPSA-N 479.492 3.989 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1C 101157371 YMAHSOKJLBVLLC-NFFVHWSESA-N 458.518 3.765 5 40 JHBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 408927354 ZVEZWOYJYSLSAG-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 8426673 NLTJHYFSIUKTOO-UHFFFAOYSA-N 469.947 3.675 5 40 JHBB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521591 YVPWXVUNYXSCAG-UHFFFAOYSA-N 454.435 3.711 5 40 JHBB CN(Cc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15169150 OCGQFOBBPGQBCL-UHFFFAOYSA-N 460.339 3.559 5 40 JHBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])c1 16944964 QCAIGDVVDUGYHA-UHFFFAOYSA-N 453.476 3.607 5 40 JHBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc([N+](=O)[O-])c4)c4sc(=O)[nH]c4S[C@H]3C2=O)cc1 102692639 XNXJKHGEFJCZGR-JFIYKMOQSA-N 483.527 3.539 5 40 JHBB C[C@@H](CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 223528121 RGPIHBOOZYKGJU-SFHVURJKSA-N 453.520 3.710 5 40 JHBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)c3ccccc3I)cc21 408530150 LHTWLSDSIJBYOS-UHFFFAOYSA-N 480.262 3.608 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1Cl 9252366 VBQNQIYYLCLPGC-HNNXBMFYSA-N 481.958 3.995 5 40 JHBB Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12 9493080 CQKHIHRSFGQXMR-UHFFFAOYSA-N 486.513 3.981 5 40 JHBB Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 9634551 XORCUMOSLSBBAR-NSHDSACASA-N 458.418 3.683 5 40 JHBB COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 26569563 VXMOONUMYLCFJD-RDGATRHJSA-N 491.544 3.820 5 40 JHBB in-vitro Cc1cc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408641771 MSTXXZDXMWFKFP-SFHVURJKSA-N 499.479 3.658 5 40 JHBB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2447991 PCHWWYVHQUYFQM-NRFANRHFSA-N 451.500 3.917 5 40 JHBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9124784 PKTUGGNAWYVEAO-LLVKDONJSA-N 491.378 3.572 5 40 JHBB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12515615 LMQJUFFRGUIIJP-LJQANCHMSA-N 475.910 3.902 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 16042363 IOFZUMYZTXNVLA-SQHAQQRYSA-N 496.523 3.970 5 40 JHBB biogenic Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 21198008 JNTMGSSPUWNISQ-QGZVFWFLSA-N 479.514 3.728 5 40 JHBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 40139238 UTDYDHLZJQWBSW-UHFFFAOYSA-N 456.499 3.966 5 40 JHBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223124252 DGEBLHXUPOYKSU-XMMPIXPASA-N 491.544 3.758 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c(C)cc1Br 408670407 PUJLAKJHAKVUHC-CQSZACIVSA-N 490.310 3.509 5 40 JHBB CCOc1cc(CO)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409109793 LPAULVURTJDXBU-UHFFFAOYSA-N 460.180 3.791 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409353220 ZEQSLSAYLNCJDP-QPEQYQDCSA-N 484.227 3.712 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 8914533 VTBMZSNWPRQACE-YIXXDRMTSA-N 496.523 3.970 5 40 JHBB biogenic Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(C)cc3)c2=N)cc1 101058925 TYSINXSKDAIKFU-UHFFFAOYSA-N 463.541 3.724 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O 103995498 REYINSAEJLLHPS-DXBBTUNJSA-N 475.501 3.734 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2)n[nH]1 409157185 UNPMFLCDHXEXJR-GOSISDBHSA-N 454.512 3.571 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409354719 ALXAWNGZWRIHND-CYBMUJFWSA-N 488.957 3.907 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 8995550 MZYOIRGGXOFCAS-IBGZPJMESA-N 458.467 3.823 5 40 JHBB O=C(CNS(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 18199903 XBDMHXCOAJXWLP-UHFFFAOYSA-N 470.532 3.565 5 40 JHBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(OC(F)F)c1 3359506 VAIGZXTYSRKABQ-UHFFFAOYSA-N 455.420 3.738 5 40 JHBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)NC2(C)C 3405754 VFEDLTHSLNBKCL-UHFFFAOYSA-N 489.550 3.788 5 40 JHBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cccc1[N+](=O)[O-] 9973707 PLNGRRAGJULWGC-CQSZACIVSA-N 482.356 3.705 5 40 JHBB COc1cccc([C@@H](c2nnnn2CCC(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC 13505368 BLHKRAZJTBQTDT-QHCPKHFHSA-N 495.584 3.556 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 19856175 OBKJNDYWTNBLTG-UHFFFAOYSA-N 470.463 3.645 5 40 JHBB COc1cc(C)c(CN2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1OC 21902424 JXYCOZBBZBUILW-UHFFFAOYSA-N 482.581 3.869 5 40 JHBB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 22475433 KKYNIGPNOGWOET-KRWDZBQOSA-N 479.514 3.957 5 40 JHBB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 40117732 QDSYKVCOMFGURD-LJQANCHMSA-N 480.565 3.516 5 40 JHBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12 107793163 KYDZMAHEIMAQRX-PKNBQFBNSA-N 459.414 3.523 5 40 JHBB Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108988766 CBNBXZGSWHDGJX-UHFFFAOYSA-N 467.595 3.730 5 40 JHBB Cc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C 224936736 RAUMUQFXOMIQEW-UHFFFAOYSA-N 483.974 3.606 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O 248103083 KJXRNJPGFYUPPB-OLKYXYMISA-N 480.480 3.665 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685376 PGMCGWFMZUZVSO-USEHDAJUSA-N 498.879 3.745 5 40 JHBB Cc1ccc(NC(=O)/C=C2/NC(=O)[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)S2)cc1 9561960 PHIXTUAKLKXTSS-WSLMLHKMSA-N 460.899 3.597 5 40 JHBB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1OC 12589985 GPNRMFIMNHUYOF-UHFFFAOYSA-N 454.508 3.698 5 40 JHBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22576754 XBQAHGRMCGWZHV-UHFFFAOYSA-N 466.450 3.538 5 40 JHBB C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccc(F)cc1 57580694 WYAPVOFSVBLNJU-IRXDYDNUSA-N 451.502 3.670 5 40 JHBB CCCc1nnc(NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)s1 62590177 KXKNUJSXINEZAK-UHFFFAOYSA-N 489.586 3.840 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408565410 KLFMHNWXXXPPDY-YLORPAJWSA-N 477.492 3.935 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1C 408641623 CVMMUDTXEKZQHD-UJUVCNOISA-N 477.517 3.873 5 40 JHBB Cc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 408666240 XRPGDRDMBUZCRP-UHFFFAOYSA-N 464.272 3.566 5 40 JHBB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 3303153 JMIMMLSJXBKNMR-FQEVSTJZSA-N 492.513 3.661 5 40 JHBB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 9518574 SCWISNDRVMUEIS-UHFFFAOYSA-N 469.523 3.936 5 40 JHBB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9631593 ZXIHGEFIIMNPLR-UHFFFAOYSA-N 462.510 3.669 5 40 JHBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18156868 IIKLQEGSDUZIGC-HJOGWXRNSA-N 489.484 3.972 5 40 JHBB CCOC(=O)c1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc([N+](=O)[O-])c1 23194685 MENUZMYYKMUOSO-UHFFFAOYSA-N 475.504 3.886 5 40 JHBB O=C1CN(/C=C/c2ccccc2)C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40119603 VBVOTJPTYMVCMU-CMDGGOBGSA-N 489.454 3.628 5 40 JHBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223914737 VTLRXLPCTKVONQ-ZDUSSCGKSA-N 484.336 3.842 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229857661 BAWJXRHKMDLBLH-KEZOAJOQSA-N 471.513 3.996 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408545228 ZTCPGGTZSFQJRF-UHFFFAOYSA-N 464.301 3.887 5 40 JHBB COC(=O)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc([N+](=O)[O-])c1 25330233 IRBPNKZBYFFMOH-UHFFFAOYSA-N 459.502 3.929 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 139052825 PAEKZNVOVQUWEX-HZPDHXFCSA-N 484.852 3.665 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 408573768 OCLPXXQESWMXNQ-UHFFFAOYSA-N 475.929 3.769 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 408648216 JTOYBGLNOMWWSL-OALUTQOASA-N 469.881 3.664 5 40 JHBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)SCC3)cc1 9415741 QGSQTHHVABSESN-UHFFFAOYSA-N 454.533 3.828 5 40 JHBB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 20614436 CDEYDWMQDZLOJJ-QHCPKHFHSA-N 474.517 3.617 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 138651835 RANZAPAAZAYCBV-WOJBJXKFSA-N 481.892 3.830 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 409160095 XKEZQOHMIIBSNM-SFHVURJKSA-N 472.502 3.710 5 40 JHBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 409244996 LXFLYEJZFBBBQN-UNOMPAQXSA-N 476.445 3.703 5 40 JHBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1087578 YPSDSLCCDSOTEK-JOCHJYFZSA-N 461.478 3.981 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N3CCCCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9124994 BRABYHSWUMSSCK-UHFFFAOYSA-N 499.593 3.964 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 9416008 DHSYFFRIMCTRGL-UHFFFAOYSA-N 450.476 3.989 5 40 JHBB CCN1CCN(c2cc(N3CCN(C(=O)c4c(F)cccc4F)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 12411959 WNOGZYWMPDKDOF-MRXNPFEDSA-N 491.514 3.505 5 40 JHBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154354 VYKIRFNSNZMCLS-UHFFFAOYSA-N 463.332 3.563 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccc(F)cc12 20573533 HPRJXULVRAQMKH-XZLZDHACSA-N 489.459 3.838 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 22247780 BXLWOICLPWLQHJ-QHCPKHFHSA-N 483.546 3.830 5 40 JHBB CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 22997382 WPJNFKGIMKAVLS-UHFFFAOYSA-N 470.551 3.972 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 57364287 BYATTWGNNKFKJC-UHFFFAOYSA-N 466.991 3.601 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3)c2=N)cc1C 100942095 AGVWOUOUCBBZOO-UHFFFAOYSA-N 484.581 3.935 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cc(C)cc(C)c1 101176945 WISLRFZUPMSSOQ-JVCXMKTPSA-N 496.523 3.825 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408565408 KLFMHNWXXXPPDY-VFHOHQAYSA-N 477.492 3.935 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408668213 CVMFEWLNVGUQMW-ZMYBRWDISA-N 480.473 3.569 5 40 JHBB O=C(O)c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408962686 ZYWGLNNJKBQWDI-BKUYFWCQSA-N 473.441 3.965 5 40 JHBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 409180792 RPZHMQPNPFXRRG-LICLKQGHSA-N 457.464 3.546 5 40 JHBB Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)COC(C)(C)C4 9292349 BNRNTRAWZMEDBK-UHFFFAOYSA-N 479.591 3.877 5 40 JHBB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1cccc([N+](=O)[O-])c1 9603300 OTSAEFVHJRPWPJ-UHFFFAOYSA-N 474.404 3.585 5 40 JHBB O=C(NCCc1ccc2c(c1)OCO2)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26912455 CJFVERCHXNOTTL-UHFFFAOYSA-N 465.428 3.918 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35852040 ATMIMTQWQRBXKU-ILSIFQBBSA-N 472.526 3.809 5 40 JHBB N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101126870 FWWJDKVZGPDCED-UHFFFAOYSA-N 487.922 3.899 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247291270 BAWJXRHKMDLBLH-XQUALCHDSA-N 471.513 3.996 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409161413 UTKXVYZFRDFYAR-FQEVSTJZSA-N 498.565 3.770 5 40 JHBB O=C(OCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 6135153 XPTLUALOKQUJBV-UHFFFAOYSA-N 478.486 3.580 5 40 JHBB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 9209551 JQXIKWXARFCYJB-OPXMRZJTSA-N 469.538 3.919 5 40 JHBB O=C(COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 12044285 XOAFTGLRWJCVJY-VQHVLOKHSA-N 457.914 3.585 5 40 JHBB Cc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cccc1[N+](=O)[O-] 12757063 JBRMVONEOUBROF-IBGZPJMESA-N 451.266 3.616 5 40 JHBB CCCOc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16678267 GBJBEQRDAFJIRV-UHFFFAOYSA-N 462.959 3.874 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 223527530 BHTRWGUIWVIOQO-UHFFFAOYSA-N 489.937 3.639 5 40 JHBB Cn1ccnc1[C@@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 10320788 IHIDZQYSCDULGR-NRFANRHFSA-N 450.495 3.688 5 40 JHBB CC(=O)c1ccc(OCCCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 12782582 CIXNOAAZGANLTE-UHFFFAOYSA-N 489.531 3.884 5 40 JHBB CCOc1ccc2nc(NC(=O)c3cccn(OCc4cccc([N+](=O)[O-])c4)c3=O)sc2c1 17315754 RGFKEYMUIHPTQT-UHFFFAOYSA-N 466.475 3.646 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519105 VRLKJAQZVVFGMN-VRIJDZSUSA-N 490.516 3.948 5 40 JHBB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223712913 AYGGLKVDNVMXAU-HXUWFJFHSA-N 471.554 3.747 5 40 JHBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224346235 SPACEAUMGSXUSO-GOSISDBHSA-N 463.918 3.579 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9633919 WBQWQJUCAVHBIW-LBPRGKRZSA-N 455.379 3.956 5 40 JHBB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 9714720 MARVOMBAIDGCFR-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2C)cc1 12599119 ORXGLAZAQYDMEP-UHFFFAOYSA-N 455.492 3.894 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505462 ZVDOZHKPTSFOHB-VWLOTQADSA-N 487.539 3.875 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)NC1CCCCCC1 16794598 IOQLYVFZNYWOJH-LIRRHRJNSA-N 467.950 3.773 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 17824876 LVEVNSILPXFQHJ-SGNDLWITSA-N 489.484 3.972 5 40 JHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 32935720 DLZBLVLFPCSADM-UHFFFAOYSA-N 450.451 3.511 5 40 JHBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 36614203 MOUATARPGIGIDL-VIFPVBQESA-N 455.901 3.667 5 40 JHBB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2C)cc1 100821177 SVMZKFNSQQBAGD-KJXVGZKYSA-N 488.591 3.842 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1 408661238 FCCNWOJTPHWRJN-UHFFFAOYSA-N 470.265 3.811 5 40 JHBB O=C(c1ccccc1I)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8831792 LXEOMUHAJIXNIX-UHFFFAOYSA-N 471.682 3.815 5 40 JHBB CCc1cc2c(COc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])cc(=O)oc2cc1O 9824166 NRRZJLHMMINWTP-UHFFFAOYSA-N 476.507 3.579 5 40 JHBB CC(C)OCCCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860260 UNXHFNXYWGNQDP-UHFFFAOYSA-N 471.565 3.846 5 40 JHBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16565723 MWPJWJRHHARHEB-GFCCVEGCSA-N 457.840 3.811 5 40 JHBB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22233657 QLYKPIJMEBSWNF-UHFFFAOYSA-N 473.482 3.718 5 40 JHBB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 26780000 MJBMMQNNDXDLSF-UHFFFAOYSA-N 487.450 3.956 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 32101411 MQIGNYVISUNMAL-INIZCTEOSA-N 458.190 3.858 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)C(C)(C)C 103628742 DEDNHLAIIFUHIR-SZXQPVLSSA-N 450.539 3.805 5 40 JHBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)N1CCCc2ccccc21 2496947 WHQOODIROBFSRS-UHFFFAOYSA-N 480.571 3.860 5 40 JHBB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cs2)cc1 9119736 SKKCXRWXQLBVEY-UHFFFAOYSA-N 496.545 3.735 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1[N+](=O)[O-] 9360900 RSTJRUJDRXPOHC-LUKWVAJMSA-N 469.453 3.895 5 40 JHBB C[C@H]1CCCCN1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860264 FSSSAJAPGPVFJR-FQEVSTJZSA-N 496.619 3.906 5 40 JHBB CCOc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 10448596 KKJIIELBNDOKFE-UHFFFAOYSA-N 469.519 3.505 5 40 JHBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1CN1CCOCC1 21630536 ASNWKODQCOVXAN-UHFFFAOYSA-N 466.460 3.564 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)/C=C/c1ccccc1 31937001 VRDCPZIRIKVNJK-NGUSXGKVSA-N 470.529 3.623 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685463 PNFRDCFYGSNLHQ-HZVDNRATSA-N 498.333 3.946 5 40 JHBB CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 10252899 JCFKCLQRDKYIKP-UHFFFAOYSA-N 482.543 3.779 5 40 JHBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC(F)F)cc1 12781585 JFWOQCVWBAGTBJ-UHFFFAOYSA-N 455.420 3.738 5 40 JHBB O=c1[nH]c2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2[nH]c1=O 21123083 UEWQZQTVXOTWQK-UHFFFAOYSA-N 455.426 3.869 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 35165741 SDLRNEKMDVIMAG-ICLZECGLSA-N 454.486 3.898 5 40 JHBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc2O1 46085613 RGVUYTRUXTZGLU-HNNXBMFYSA-N 453.476 3.823 5 40 JHBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223239001 BKBYMSJZYCUXEA-YADHBBJMSA-N 450.568 3.705 5 40 JHBB O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 409214905 YSEMIKGVCKJYGE-FYJGNVAPSA-N 490.447 3.844 5 40 JHBB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 2630538 XLUWUXCSCVYHLB-UHFFFAOYSA-N 484.486 3.643 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9833890 HSHCANVGBMXDMS-UGSOOPFHSA-N 456.430 3.843 5 40 JHBB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13608748 MDOBJGOICPOUTR-UHFFFAOYSA-N 452.492 3.998 5 40 JHBB Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c1C 16044313 DEKPFEYZSYZOMG-GJZGRUSLSA-N 459.886 3.788 5 40 JHBB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 30852958 AMBJUOQLVFRFBY-HXUWFJFHSA-N 463.556 3.581 5 40 JHBB COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 35334949 VWGWGWWUASWGRQ-UHFFFAOYSA-N 497.621 3.739 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 103530740 WEPDJTNPXHRBCG-ZMYBMPLZSA-N 471.391 3.788 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]1 409162828 IKUPKWMEYFSIJN-FNHZYXHNSA-N 474.587 3.627 5 40 JHBB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccc(O)c([N+](=O)[O-])c1 409170209 URRIBKRJRMYLFL-UHFFFAOYSA-N 456.480 3.916 5 40 JHBB COc1c2c(cc3c1[C@@H](c1nnnn1C(c1ccccc1)c1ccccc1)[N+](C)(C)CC3)OCO2 8817782 HSJIUIGRAVQVEZ-DEOSSOPVSA-N 470.553 3.770 5 40 JHBB biogenic CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 14152667 ORHLHNFXPVONHX-UHFFFAOYSA-N 461.475 3.664 5 40 JHBB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 14276698 BTMXMGWMQHBVQN-UHFFFAOYSA-N 489.985 3.680 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 17917250 URRNKCCGLYISGN-ZLNRFVROSA-N 493.447 3.802 5 40 JHBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cc(-c2ccccc2)no1 22132720 BCKHXMQKBISSPR-IBGZPJMESA-N 455.492 3.845 5 40 JHBB COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 216234953 VKOFIENHJASQEI-UHFFFAOYSA-N 475.567 3.898 5 40 JHBB CC(C)OC(=O)C[C@H](NC(=O)CN(C)c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 507152472 UWJNJLGCQJRIQG-KRWDZBQOSA-N 456.524 3.840 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 14412578 LEDYGHUTLGRQDM-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 17915364 WJJYEZVNJFKVRW-UHFFFAOYSA-N 467.400 3.680 5 40 JHBB CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Br 20611735 SOBDDXUKZBXRGH-UHFFFAOYSA-N 450.289 3.845 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 223288275 TVQWNKQAZSVRQG-FCHUYYIVSA-N 467.551 3.793 5 40 JHBB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 223530500 SKQWRQBJHUJEOG-QGZVFWFLSA-N 499.545 3.685 5 40 JHBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223668081 IECCOJUAHVBIJE-HXUWFJFHSA-N 487.553 3.713 5 40 JHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225202116 AGHHYTUREXGNBC-HZPDHXFCSA-N 477.945 3.968 5 40 JHBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 409137640 WOHCZRVTOWQHNN-UHFFFAOYSA-N 495.348 3.691 5 40 JHBB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409345110 KKAAIAYVVZUCQK-LBPRGKRZSA-N 474.930 3.599 5 40 JHBB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10218672 QRQWZQNOSAZJPQ-UHFFFAOYSA-N 461.521 3.920 5 40 JHBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 20483643 FOGOYBAGHNEDOH-UHFFFAOYSA-N 481.939 3.991 5 40 JHBB CCOc1ccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1[N+](=O)[O-] 22742938 TYLALJWHMQWHTO-UHFFFAOYSA-N 485.537 3.841 5 40 JHBB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(F)c([N+](=O)[O-])c1 408544996 LCRPASOCYMQNNU-UHFFFAOYSA-N 468.264 3.718 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C 408653366 PPSPBOPGLXULQF-NHCUHLMSSA-N 463.490 3.627 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408681220 HJSAKSGLFMHGTM-AFHBHXEDSA-N 498.879 3.745 5 40 JHBB Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 408990068 VDSWOWCBWCWADP-QHCPKHFHSA-N 482.452 3.530 5 40 JHBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 409175952 FUSKLBJDBMCIBT-STZFKDTASA-N 496.545 3.669 5 40 JHBB O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 1839751 FNWZAPPDSVWQOT-UHFFFAOYSA-N 492.396 3.582 5 40 JHBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N2CCCC2)cc1 8687828 ZTSTZMCJXAIHKT-QHCPKHFHSA-N 474.583 3.637 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 8914532 VTBMZSNWPRQACE-KCWPFWIISA-N 496.523 3.970 5 40 JHBB biogenic O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9424575 BAWJXRHKMDLBLH-YCAMKHIRSA-N 471.513 3.996 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])CC1 12561549 CQDGHRQTOISFNW-UHFFFAOYSA-N 452.555 3.833 5 40 JHBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 408640960 BSQKAEUTUOZRKN-OAHLLOKOSA-N 473.441 3.528 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408664070 YQNSPXAUOCVROB-VQTJNVASSA-N 481.892 3.830 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 408689832 ZFESDCIZYSQMDU-HDICACEKSA-N 486.868 3.889 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 20051093 CBNOOOJNCPMKDJ-UHFFFAOYSA-N 464.301 3.882 5 40 JHBB Cc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] 21763297 XGSMATOJMOQSEC-UHFFFAOYSA-N 466.416 3.715 5 40 JHBB O=C(Nc1ccc(I)cc1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833304 RCCXALIMIANPCL-NYYJTOMGSA-N 493.305 3.725 5 40 JHBB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222636126 FAGKVQFTMPUJCT-GOSISDBHSA-N 473.507 3.530 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 223591697 SLSWDIVHORQMQW-UHFFFAOYSA-N 475.552 3.607 5 40 JHBB Cc1c(N(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224863085 BLJUCYNZTYUZOL-UHFFFAOYSA-N 485.537 3.981 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2cccs2)cc1 408638819 SYOLEAYSBGIFAA-INIZCTEOSA-N 494.481 3.655 5 40 JHBB Cc1nn(Cc2cccc(NC(=O)c3n[nH]c([N+](=O)[O-])c3Cl)c2)c(C)c1Br 652652 FAUQCLPSZGXPFH-UHFFFAOYSA-N 453.684 3.848 5 40 JHBB COC(=O)C1CCN(CCCOc2ccc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 8762113 JDFGIAMGXCGAPW-UHFFFAOYSA-N 496.608 3.571 5 40 JHBB Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 12533834 RAZOBKKEKHYFKH-HNNXBMFYSA-N 460.556 3.642 5 40 JHBB COc1ccc(C)cc1/C=C/C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 12787378 FUMCLDSPDMFVLR-ONNFQVAWSA-N 459.505 3.853 5 40 JHBB NC(=O)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 24488716 IXPVZDPBJZEOEX-UHFFFAOYSA-N 452.854 3.781 5 40 JHBB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619360 YZHJNKQSGAITDF-UHFFFAOYSA-N 486.467 3.953 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1 101209084 BNEXLFTYXKUVTR-ACRUOGEOSA-N 478.392 3.693 5 40 JHBB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408639292 FNKYNILKDNMYKP-SJLPKXTDSA-N 499.479 3.911 5 40 JHBB Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)ccc1[N+](=O)[O-] 4125287 AXOBAKKPQCQCGI-UHFFFAOYSA-N 453.499 3.764 5 40 JHBB O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1 8989851 JTHICNYLOODTLV-UHFFFAOYSA-N 451.298 3.584 5 40 JHBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 9493226 VWHDHKHXLVIMFJ-MRXNPFEDSA-N 495.439 3.985 5 40 JHBB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12557451 IMKSELRPAZOVFP-SFHVURJKSA-N 452.511 3.746 5 40 JHBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1[N+](=O)[O-] 12856144 VILRTJZOGQHLOJ-UHFFFAOYSA-N 493.545 3.585 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 22247781 BXLWOICLPWLQHJ-HSZRJFAPSA-N 483.546 3.830 5 40 JHBB O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)NCC1(c2ccccc2)CCC1 24184404 XKMKZMUJNYMITF-UHFFFAOYSA-N 451.523 3.593 5 40 JHBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224936838 MGRPKSNQQSHAAS-NRFANRHFSA-N 487.553 3.570 5 40 JHBB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 225218551 ASRKFMYKWMXPNV-AWEZNQCLSA-N 475.552 3.523 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409136163 TXKJAYUPCOIYEN-HNNXBMFYSA-N 468.539 3.736 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 409137265 WHSLQLUNQYOVMK-UHFFFAOYSA-N 473.482 3.885 5 40 JHBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409151536 CBHVCUCSSUJARD-MOSHPQCFSA-N 496.545 3.723 5 40 JHBB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 409389770 SBCIMQFTIPCHKS-UHFFFAOYSA-N 483.546 3.784 5 40 JHBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 8831542 MLYDLDFTAAFDMO-UHFFFAOYSA-N 467.536 3.813 5 40 JHBB 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CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1 3009159 MTMSMCDTVAEPRL-UHFFFAOYSA-N 470.507 3.640 5 40 JHBB CC(=O)c1cccc(NC(=O)CSc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 3433321 VCOUGCQEFXQMFC-UHFFFAOYSA-N 462.427 3.822 5 40 JHBB CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)scc12 10247708 DRDITFWJELFNQA-UHFFFAOYSA-N 482.449 3.924 5 40 JHBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl 12564811 GTLWBLITKAKAKU-CYBMUJFWSA-N 454.673 3.773 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 14269679 UCVJYQIHIWXCAT-UHFFFAOYSA-N 454.302 3.810 5 40 JHBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)C3=O 15838117 ADBGFQRYQKKIMN-HSZRJFAPSA-N 477.517 3.586 5 40 JHBB CCN1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 16681512 PAWXKKJCUGTDMA-UHFFFAOYSA-N 461.975 3.825 5 40 JHBB Cc1ccccc1[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 20041433 ALIGWMYMQBQGOF-HSZRJFAPSA-N 453.520 3.575 5 40 JHBB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 36576209 PAIAUZTXCXMHPH-PHVPAECOSA-N 453.454 3.923 5 40 JHBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223239362 OZAOJBCLAJBTIF-FGZHOGPDSA-N 450.568 3.705 5 40 JHBB Cc1ccccc1-n1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 2641443 MDAAGHZJLOGPRC-UHFFFAOYSA-N 474.502 3.595 5 40 JHBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC 8832330 RZJFMZKSEDPABW-UHFFFAOYSA-N 456.499 3.821 5 40 JHBB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 21760960 ZLVIOMARRJNROV-QHCPKHFHSA-N 487.512 3.979 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 224280859 FJGQFKPSOFNIAG-UHFFFAOYSA-N 467.931 3.613 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c1 408654156 JWPOZPARCSXHRG-RZTYQLBFSA-N 452.463 3.630 5 40 JHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409130998 MOTGPQJQHWRUPJ-HNNXBMFYSA-N 468.539 3.736 5 40 JHBB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409315517 VXFUAUASNLOIAD-UHFFFAOYSA-N 496.545 3.569 5 40 JHBB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 409387706 BCVLEBMNTUDLRE-UHFFFAOYSA-N 469.519 3.708 5 40 JHBB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O 409412629 VMVMPWAIYHRRGY-UHFFFAOYSA-N 463.475 3.985 5 40 JHBB Cc1ccc(N(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]2C=CS(=O)(=O)C2)cc1 6154209 RIKUYOXTZXAACA-HXUWFJFHSA-N 455.536 3.851 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)OC 8722229 YDGLUSAZPXAMLM-YBFXNURJSA-N 472.475 3.782 5 40 JHBB O=C(CCCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1cccc([N+](=O)[O-])c1 8922163 AYMNFYUJHOENBX-UHFFFAOYSA-N 480.429 3.942 5 40 JHBB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)c(Cl)c2)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 13148136 WEGMLSWGUKUTDC-UHFFFAOYSA-N 477.239 3.575 5 40 JHBB Cc1cccc(C(=O)OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c1[N+](=O)[O-] 13159794 AILKUZSSFLCFOW-UHFFFAOYSA-N 470.869 3.955 5 40 JHBB CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16575615 ZMNVPVRQISZCDJ-UHFFFAOYSA-N 462.959 3.872 5 40 JHBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 28924159 ZVOMPDWXPHYLQN-DEOSSOPVSA-N 459.506 3.700 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1OC 59942128 NABHTKGKAIFTIR-UHFFFAOYSA-N 477.539 3.574 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224888516 YEPLSQZCBHXEQH-LBPRGKRZSA-N 461.418 3.595 5 40 JHBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 408563541 MWUMVJLGTXMKLR-KRWDZBQOSA-N 488.216 3.624 5 40 JHBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409024183 BAJSHVRTOPJFBW-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB CC[C@@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792180 QFKROVVZMIOOSL-CQSZACIVSA-N 459.502 3.903 5 40 JHBB biogenic CCCCCn1/c(=N/C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 9222357 FTFNDIGHHPHRBE-WEMUOSSPSA-N 458.518 3.757 5 40 JHBB COc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1 9444205 WQGZAEGZXSEPQI-UHFFFAOYSA-N 477.520 3.513 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1 9580716 VVIGLLXAPPJJSQ-UHFFFAOYSA-N 459.343 3.529 5 40 JHBB COC(=O)c1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc([N+](=O)[O-])c1 12734170 YIESKUHVCRHKMS-UHFFFAOYSA-N 452.463 3.620 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@H]4CCCC[C@H]4C)c(=O)c3cc2c1=O 40399098 QLZRBOBXSHNIEJ-VLIAUNLRSA-N 461.522 3.660 5 40 JHBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101098598 WSWAHGRFVHWMMP-IBGZPJMESA-N 473.577 3.743 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(CCc4ccccc4)c3nc12 101106982 CYJGSOQNOBFZQS-UHFFFAOYSA-N 481.531 3.749 5 40 JHBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224760800 WUQLGHZQHCVTFE-UHFFFAOYSA-N 473.482 3.961 5 40 JHBB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225443200 YAUWEIYMVJJYOX-AWEZNQCLSA-N 480.384 3.754 5 40 JHBB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 409177030 BDSGCFZSYDIEOD-UHFFFAOYSA-N 457.420 3.597 5 40 JHBB O=[N+]([O-])c1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 2711546 KULUSNZQJYTNQT-UHFFFAOYSA-N 456.343 3.651 5 40 JHBB Cc1ccc(N(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 6154208 RIKUYOXTZXAACA-FQEVSTJZSA-N 455.536 3.851 5 40 JHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc2c(c1)OCCO2 8824079 FAOFAHIHIBAWJK-NSHDSACASA-N 454.357 3.611 5 40 JHBB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9202877 AKRPSNOZFKOGEI-UHFFFAOYSA-N 476.869 3.960 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 22314102 GCFMOMYWANIGAI-QHCPKHFHSA-N 465.531 3.984 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCCC[C@@H]4C)c(=O)c3cc2c1=O 40399095 QLZRBOBXSHNIEJ-VBKZILBWSA-N 461.522 3.660 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224769467 HZEXBSRVQWFLJL-HXUWFJFHSA-N 475.517 3.701 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408643235 QRFSLMMKGMRBNT-ZDUSSCGKSA-N 462.300 3.974 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c(C)c1 408651995 CUIJJKGXJRRPMF-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)c([N+](=O)[O-])c1 409151162 GMDZRPAUFKKTFP-HXUWFJFHSA-N 498.565 3.590 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3226617 XTWSVMTVQXNKIK-OAHLLOKOSA-N 467.503 3.996 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccccn4)cc3c3ccnc2c31 8792329 QWTVBZSPEDTIQS-UHFFFAOYSA-N 494.507 3.699 5 40 JHBB biogenic COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 9714718 PNXHZAGZYNVAOB-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)Sc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 12760985 YBOGIXMLQRVTPK-KRWDZBQOSA-N 467.551 3.778 5 40 JHBB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537283 QBDFADKUEOFTGU-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537296 PWSQVPZBPOCLHX-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247349987 VXNPWLSUMVHERL-LWSSLDFYSA-N 480.480 3.749 5 40 JHBB Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1357284 OSTGDLQRNINRHA-CQSZACIVSA-N 451.552 3.995 5 40 JHBB NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2799303 WKRPEKZGVULIFE-IBGZPJMESA-N 453.458 3.627 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)/C=C/c1ccccc1 101176424 YORZMLPZXMUOAR-SXZGLIJMSA-N 456.502 3.548 5 40 JHBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537285 YLHYRNPGNULFJW-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=C(c1nnn2c1sc1c(C(=O)N3CCCCCC3)nnn1c1ccccc12)N1CCCCCC1 1409702 WVHVOWZCPFULPU-UHFFFAOYSA-N 492.609 3.581 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O 13855987 VLQKEHFDBVEWIU-UHFFFAOYSA-N 483.546 3.598 5 40 JHBB O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 9403186 ZVSRXYCGMXKJFD-UHFFFAOYSA-N 495.875 3.960 5 40 JHBB C[C@@H](NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9545909 XBBRBZZZQDGQEA-ZJRYTYELSA-N 499.593 3.752 5 40 JHBB O=C(CNC1(c2cccc(Br)c2)CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 72273025 CPOLEJAJUYZGPO-UHFFFAOYSA-N 460.328 3.542 5 40 JHBB Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22751535 CWBQXWOUKIQDSN-UHFFFAOYSA-N 493.383 3.938 5 40 JHBB Cc1ccc(-c2noc(CCCN3CCN(C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)n2)cc1 32937709 ICXGDPZDUDAKCS-UHFFFAOYSA-N 450.499 3.736 5 40 JHBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 15945339 WURBJLBPLOISAE-LQDNNDEMSA-N 455.426 3.688 5 40 JHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 9990693 PUXQVCIKJQSACD-UHFFFAOYSA-N 475.295 3.864 5 40 JHBB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 11203290 YHZFXHAMZAPHLZ-NRFANRHFSA-N 477.970 3.916 5 40 JHBB CCCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16678246 BPCAZQUDQLMSPQ-UHFFFAOYSA-N 462.959 3.874 5 40 JHBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c(OC)c1OC 35574295 KXFWOFPPBNRULT-INIZCTEOSA-N 493.582 3.678 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1[N+](=O)[O-] 408667097 JEBLUPKPBXCKBF-GFCCVEGCSA-N 466.277 3.745 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1[N+](=O)[O-] 5949400 NSWIQNMYCXLLCA-UHFFFAOYSA-N 460.512 3.723 5 40 JHBB COc1ccc([C@H]2[C@@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 8974809 OGWHSRIFGMCRDG-NDBXHCKUSA-N 467.485 3.793 5 40 JHBB Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 9634552 XORCUMOSLSBBAR-LLVKDONJSA-N 458.418 3.683 5 40 JHBB CCOc1ccccc1CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 10110907 JTUYPQHVOBZIML-UHFFFAOYSA-N 497.573 3.938 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 11726699 VYROKIKZVRRFMB-UHFFFAOYSA-N 465.531 3.932 5 40 JHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998519 OOMBWJMVMWHCJU-QPJJXVBHSA-N 456.499 3.722 5 40 JHBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 408688663 WMCMTURKLQKVGB-CALCHBBNSA-N 469.881 3.664 5 40 JHBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 409142611 ALNIBLMARILTPD-UHFFFAOYSA-N 476.518 3.537 5 40 JHBB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])cc1C 8948580 PVOCINNOFPWLBI-XMMPIXPASA-N 452.511 3.915 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O 9434010 OXRUBTNLKHVWQU-GCJKJVERSA-N 456.886 3.679 5 40 JHBB CC[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 14318237 FHISZBRGDUPNIN-SFHVURJKSA-N 452.964 3.748 5 40 JHBB O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(I)cc2)cc1 17155721 KCPQTVLOVTYRNJ-HNNXBMFYSA-N 476.317 3.636 5 40 JHBB O=C(c1ccc([N+](=O)[O-])s1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 22997701 CFYJJXHINUZLBW-UHFFFAOYSA-N 450.517 3.774 5 40 JHBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225128900 LLLKIPFUGBGAFI-FQEVSTJZSA-N 457.527 3.624 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408640050 ADWFNAZDCJBGIP-CFCCAZDESA-N 481.892 3.686 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 409174227 UCVIWXRWOKNDAQ-YVLHZVERSA-N 457.464 3.683 5 40 JHBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409389585 HOHBWJMFKUHZEI-LBPRGKRZSA-N 458.323 3.941 5 40 JHBB COc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@@H](C)C5)cc1 2408703 QIRUDTWFELJOSH-GFCCVEGCSA-N 479.591 3.851 5 40 JHBB C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1-c1ccccc1 8825629 NFZSZDWNGJOSGE-INIZCTEOSA-N 487.468 3.818 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C 9631154 VQGPKGSCJJRULI-UHFFFAOYSA-N 483.502 3.924 5 40 JHBB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 12527855 FWZJNNOBLDLEED-UHFFFAOYSA-N 458.323 3.615 5 40 JHBB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 64219464 RTAGBAKLUOBWMH-QFIPXVFZSA-N 450.447 3.881 5 40 JHBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223675073 LMXLVSQZOJUPDV-RTWAWAEBSA-N 452.492 3.785 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408688279 VVZTUZKCWLVTNR-IQGAEYHTSA-N 451.866 3.613 5 40 JHBB Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 408702108 CEHITCNQUBFEGF-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB Cc1cccc(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 10110668 DAEHGKAQXMJUSL-UHFFFAOYSA-N 467.547 3.848 5 40 JHBB O=C(CCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O)N1CCCC1 20644257 QMEUNONMFOOXRO-UHFFFAOYSA-N 452.536 4.000 5 40 JHBB O=[N+]([O-])c1ccc(COc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc2)cc1 96184282 FLDUXDIOVWWGHC-VXKWHMMOSA-N 450.520 3.534 5 40 JHBB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 408653167 FDZWDXRIXRSHMV-MRXNPFEDSA-N 485.452 3.662 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCCC1 205874380 QCWIFIIFWKMIMN-DEDYPNTBSA-N 467.503 3.833 5 40 JHBB COc1cc(C(=O)O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408636361 OYJLRIKKNAWLIZ-UHFFFAOYSA-N 460.136 3.607 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] 408643137 FPCRAMOZYVLXNN-GFCCVEGCSA-N 451.262 3.989 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 409137735 XFVVJMVIFKBNFN-UHFFFAOYSA-N 459.455 3.577 5 40 JHBB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9008629 QWRHMBFWJPHVQA-WNZNVHFWSA-N 483.524 3.851 5 40 JHBB CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C 9129182 QABPEIJJCONUHH-SQJMNOBHSA-N 464.522 3.907 5 40 JHBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cnc1C 9244424 FWWBUUBOAIURLL-UHFFFAOYSA-N 469.475 3.999 5 40 JHBB CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583178 YMWLVBPUSPWEKF-KRWDZBQOSA-N 472.502 3.553 5 40 JHBB COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCCCCC2)cc1 12491599 QLLPLCKTEKUGHB-ZEQRLZLVSA-N 470.586 3.582 5 40 JHBB O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)Nc1ccc(OCc2ccccc2)cc1 32831899 XPXKAGPAERFMGF-UHFFFAOYSA-N 496.483 3.708 5 40 JHBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 48300268 LKMIRWVYJKBIIJ-OAQYLSRUSA-N 489.937 3.593 5 40 JHBB COc1ccc(Br)cc1[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408565149 HZANETTVDISQCT-SFFNPBHPSA-N 458.312 3.512 5 40 JHBB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408674169 YPZSOAFCTTUDHW-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)cc1[N+](=O)[O-] 408683630 LUUWYBVJVMEBTP-IBGZPJMESA-N 475.505 3.697 5 40 JHBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 409133617 LVJHCMZGJVXSSJ-UHFFFAOYSA-N 495.348 3.691 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 2493394 XGNGCBPNTSCFII-UHFFFAOYSA-N 456.457 3.798 5 40 JHBB COc1c2c(cc3c1[C@H](c1nnnn1C(c1ccccc1)c1ccccc1)[N+](C)(C)CC3)OCO2 8817781 HSJIUIGRAVQVEZ-XMMPIXPASA-N 470.553 3.770 5 40 JHBB biogenic CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 33881132 RLQDDVOVXDUXPP-UHFFFAOYSA-N 462.959 3.874 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 89459643 GSROPMJBQWUFMH-UHFFFAOYSA-N 479.580 3.899 5 40 JHBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223709138 SUZPFMCZEQNMCO-LEWJYISDSA-N 452.492 3.785 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 2241967 VYAITNNQJYRZKQ-MTQWNXOMSA-N 472.526 3.809 5 40 JHBB O=C1S[C@H](Nc2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 2318157 WYNJIVXESDIIMY-AWEZNQCLSA-N 469.260 3.833 5 40 JHBB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12 4142446 JWGJCINPUPMGIM-UHFFFAOYSA-N 463.515 3.686 5 40 JHBB aggregator CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 9128322 VZWPORSCJZDCKZ-UHFFFAOYSA-N 492.535 3.557 5 40 JHBB CCCCn1c(=O)c(CCC(=O)OCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)nc2ccccc21 16806620 LYGCJAMHCYCXDB-UHFFFAOYSA-N 492.532 3.560 5 40 JHBB CNc1ccc(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 21383108 MDIFCQUOSVVRQP-UHFFFAOYSA-N 483.502 3.859 5 40 JHBB COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c4ccccc34)CC2)cc1OC 23983935 JBVLDVLXAVFFHT-UHFFFAOYSA-N 477.586 3.912 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c(C)c1 32124828 CUMQGJRKDNFROW-ODLFYWEKSA-N 487.559 3.971 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1Sc2nc(O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 35053012 QUNSVPWAELURHX-KFWWJZLASA-N 455.473 3.537 5 40 JHBB CCn1c(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nc2ccccc21 49574726 NCGRVQVXJCYLOY-UHFFFAOYSA-N 493.545 3.624 5 40 JHBB COc1cc(OC)c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1Cl 62388109 CLMMBJVCOCWZIG-UHFFFAOYSA-N 485.928 3.574 5 40 JHBB CCCn1/c(=N\C(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102821019 RDVAHAKPOQOSOK-OFWBYEQRSA-N 498.461 3.996 5 40 JHBB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223958958 KSRVKOOASCFDQL-ZDUSSCGKSA-N 484.336 3.842 5 40 JHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408542105 HBRMUURPSVKOTR-CSKARUKUSA-N 461.408 3.746 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2ccccc2C1=O 408658727 KCWWMJABPHGVDG-MRXNPFEDSA-N 485.452 3.662 5 40 JHBB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409356299 GMDDFTYNVOVGFQ-UHFFFAOYSA-N 474.930 3.520 5 40 JHBB CC[C@H](OC(=O)CSc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6134512 VKOLZJBNEBWVIA-SFHVURJKSA-N 494.533 3.960 5 40 JHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9493037 MXSADMBAZFTGCB-JTQLQIEISA-N 456.333 3.504 5 40 JHBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccccc2)N1 17467085 BUHIPWQUUOSWCH-DBXWQHBBSA-N 475.379 3.802 5 40 JHBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20493039 UZOHLBHVHIZSNK-UHFFFAOYSA-N 458.521 3.663 5 40 JHBB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 40149308 XZYJFTCOIUPDHU-CEXWTWQISA-N 450.605 3.611 5 40 JHBB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 89365255 FPAPPGZFFWYJGE-UHFFFAOYSA-N 472.475 3.656 5 40 JHBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408565028 AZYVKFOWRQOKGI-POIRLRRGSA-N 474.473 3.742 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408652060 OCLIJGJQJKUEPF-OAQYLSRUSA-N 457.442 3.910 5 40 JHBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 9791393 QLCDTMPJOQWEFI-UHFFFAOYSA-N 479.470 3.735 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 26887518 YGTSUAKMYYDKCD-JKSUJKDBSA-N 469.567 3.919 5 40 JHBB C[C@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 40149309 XZYJFTCOIUPDHU-GBESFXJTSA-N 450.605 3.611 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@H]21 103995486 REYINSAEJLLHPS-FNAHDJPLSA-N 475.501 3.734 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(NC(C)=O)cc1 408637942 OEGQXEDJVVESMU-UHFFFAOYSA-N 470.511 3.571 5 40 JHBB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 409181111 WQVONCQFZYBLFQ-UHFFFAOYSA-N 457.420 3.597 5 40 JHBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C(=O)N1c1ccc(Cl)cc1 409239814 QQJKLIVPWHHKKQ-AWNIVKPZSA-N 485.621 3.656 5 40 JHBB Cc1nn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731074 XGGKAEFDHXIWQK-UHFFFAOYSA-N 462.898 3.975 5 40 JHBB O=C(c1ccccc1)N1CCCC[C@@H]1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8753612 PQEKZTNHBDMRHE-DENIHFKCSA-N 457.552 3.690 5 40 JHBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 9226704 PKAHBBAAJUNENL-QGZVFWFLSA-N 469.519 3.522 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269610 IUBOLBZPDXBDHF-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 19430974 MYETWNRNZWNARJ-AWEZNQCLSA-N 451.435 3.887 5 40 JHBB CC(=O)N1CCc2cc(Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3[N+](=O)[O-])ccc21 22803400 JXTMHDUITCRNEX-OAHLLOKOSA-N 458.540 3.668 5 40 JHBB CCCCn1/c(=N/C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102918774 QRLXRWTWKNYIOJ-RMLRFSFXSA-N 472.545 3.984 5 40 JHBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 226336839 WQVGQOIEYQJWRB-VKDGWMQASA-N 466.494 3.856 5 40 JHBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] 408584142 MIFAXICXSUOUEC-UHFFFAOYSA-N 453.520 3.953 5 40 JHBB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 520405955 LVPZOCBMQXUNTJ-INIZCTEOSA-N 480.500 3.985 5 40 JHBB COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 598360 VXMOONUMYLCFJD-RCZVLFRGSA-N 491.544 3.820 5 40 JHBB in-vitro COc1cc(-c2noc(-c3ccc(NC[C@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8587023 UWTVNCOUOOYAQS-OAHLLOKOSA-N 456.455 3.929 5 40 JHBB aggregator NS(=O)(=O)c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 9364480 ATQYMCOKFIXMGK-UHFFFAOYSA-N 456.855 3.514 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269612 QLVCJDRGUVSDTP-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272507 KQJXQNARRUFJCA-UHFFFAOYSA-N 455.452 3.715 5 40 JHBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@@H]3C=CC=NN23)cc1 16038459 PKBKFBIRMARUGK-YRPNKDGESA-N 456.296 3.678 5 40 JHBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CCCC1 18085726 JBYUTKCYMGEONZ-UHFFFAOYSA-N 452.467 3.594 5 40 JHBB O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@@H](O)COc1cc(Cl)ccc1Cl 27206926 AROLKLJASODWBG-OAHLLOKOSA-N 479.320 3.652 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc([N+](=O)[O-])ccc21 100821192 JMBFPTKIMHAVBH-FCQUAONHSA-N 488.591 3.793 5 40 JHBB Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)ccc1Oc1ccc([N+](=O)[O-])cc1 408651524 CMTWIBKURARMRL-XFJUBTJUSA-N 451.431 3.619 5 40 JHBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C1=O 8777783 SHKAAWQBEHCNAR-SFHVURJKSA-N 470.791 3.673 5 40 JHBB CCCn1c(Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nc2ccccc2c1=O 9439693 OYBCNWJUOAFWIM-UHFFFAOYSA-N 474.564 3.650 5 40 JHBB Cc1cc(C)c(S(=O)(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 12526239 AWCOUIQVFJOPCZ-UHFFFAOYSA-N 467.550 3.610 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1c(Cl)cccc1C(F)(F)F 12526818 XOPORWBASAJWTF-UHFFFAOYSA-N 487.818 3.899 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 12643591 JWMWOXYLMSTPKH-UHFFFAOYSA-N 484.553 3.537 5 40 JHBB Cc1cc(CN2CCN(Cc3nc4cc([N+](=O)[O-])ccc4n3-c3ccc(F)cc3)CC2)on1 21329563 SOLQUMJRENBGAN-UHFFFAOYSA-N 450.474 3.687 5 40 JHBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399428 HCHFUZBPDUIWIS-AWEZNQCLSA-N 498.883 3.538 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(Cl)cc3)c2=N)cc1 101259271 HVHQXTRVJYOLIX-UHFFFAOYSA-N 490.972 3.972 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OCC)cc1 102919713 JGPNHNZHWDDLGL-RMLRFSFXSA-N 488.544 3.855 5 40 JHBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107951695 DJXMOARLYXXGNC-UHFFFAOYSA-N 481.490 3.600 5 40 JHBB Cc1nn2c(SCC(=O)Nc3nc4ccc(Cl)cc4s3)nc3ccccc3c2nc1=O 585157880 BEDRZCQTLCNCCF-UHFFFAOYSA-N 468.951 3.940 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 22268574 LTYHMLTXVVTKRI-JOCHJYFZSA-N 483.546 3.830 5 40 JHBB CCOc1ccc(NC(=O)CCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCC 67317267 BALNLZXVGRWGFZ-UHFFFAOYSA-N 487.538 3.506 5 40 JHBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 409369833 ZRDIMVPQUDVWQH-FGEXJBCWSA-N 469.453 3.997 5 40 JHBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)nc(C)n1 1910373 NVUIKKAEFQTHJK-UHFFFAOYSA-N 461.887 3.708 5 40 JHBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)c1 2251307 YQDSNOLSMXEZAW-QGZVFWFLSA-N 471.517 3.788 5 40 JHBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H](c4nnc5ccccn45)C3)c([N+](=O)[O-])c2)CC1 9462654 XDZWBOKWKPXVGY-JLAWEPINSA-N 498.609 3.879 5 40 JHBB CCCN1C(=O)c2ccccc2[C@@H]1N(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9678925 WLVZXYUXYHPWKI-NRFANRHFSA-N 455.492 3.943 5 40 JHBB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10912141 OUKXQIZSORVNTB-KBPBESRZSA-N 478.885 3.842 5 40 JHBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)CC2 16002190 UEOJCIULJSZTNT-DEOSSOPVSA-N 450.495 3.600 5 40 JHBB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 39986563 RERPQTXTAXYLKG-UHFFFAOYSA-N 455.920 3.605 5 40 JHBB Cc1cccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C 223905650 DINVHBPCJIZUOD-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224639501 SIYRDJALISVKRI-OAHLLOKOSA-N 463.918 3.578 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 408642061 NLSFFPNAJIEBQN-ZDUSSCGKSA-N 462.300 3.974 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408648149 JRPROJJMYUZAKK-PEYKTXOXSA-N 477.517 3.953 5 40 JHBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 409128700 GLHIZBRRXZDPLZ-UHFFFAOYSA-N 495.348 3.691 5 40 JHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 9125762 KRTAJFNOYLEOHT-UHFFFAOYSA-N 482.514 3.854 5 40 JHBB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 16045575 NFKIIVWNEIMIPW-MRXNPFEDSA-N 490.472 3.837 5 40 JHBB CC(=O)N1CCc2cc(Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3[N+](=O)[O-])ccc21 22803405 JXTMHDUITCRNEX-HNNXBMFYSA-N 458.540 3.668 5 40 JHBB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102765628 DECWLHVNAHLOPI-DNVJHFABSA-N 472.457 3.604 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223667697 IJKYVRDEPLCOPT-SFTDATJTSA-N 452.492 3.785 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 247308426 HNVGXGHZRLFXTL-YCAMKHIRSA-N 498.470 3.762 5 40 JHBB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729803 DEMARJUSQMKNRE-NRFANRHFSA-N 471.535 3.881 5 40 JHBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906920 KNLAJWFWIZBLOH-HKOYGPOVSA-N 493.541 3.795 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409140739 IGSSQPIIBPGHGN-OAHLLOKOSA-N 498.565 3.745 5 40 JHBB COc1ccc([C@H]2[C@@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 8974807 OGWHSRIFGMCRDG-LIONHTAISA-N 467.485 3.793 5 40 JHBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)n1 9662452 ACLAONSNPQSLHE-UHFFFAOYSA-N 487.515 3.713 5 40 JHBB CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 13101031 PDMLUANSWYCVRO-UHFFFAOYSA-N 480.271 3.837 5 40 JHBB CCOc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c([N+](=O)[O-])c1 16091136 AVSFJYIKGUCMLX-UHFFFAOYSA-N 490.494 3.800 5 40 JHBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1C 20343137 KBAZAYLTDRLNSJ-UHFFFAOYSA-N 450.860 3.906 5 40 JHBB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 22041650 CUPOUZSVBQUXOF-QGZVFWFLSA-N 454.552 3.880 5 40 JHBB CN1C(=S)S[C@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 101030464 XCPXSWDILTVGFP-WKRCXCSHSA-N 498.586 3.510 5 40 JHBB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224636144 IQMUGHWEZYBWHA-QFIPXVFZSA-N 483.565 3.891 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1 408656061 FGPMFICTGAHDHB-UHFFFAOYSA-N 470.265 3.811 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1886047 FWCDVACSHKTJGD-IGKIAQTJSA-N 496.523 3.970 5 40 JHBB biogenic CCOC(=O)N1CCN(C(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)CC1 8877784 DFHBGRXWIPLDFC-UHFFFAOYSA-N 454.486 3.506 5 40 JHBB biogenic Cc1c(NS(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9713853 FHGOISLGYMOIMN-UHFFFAOYSA-N 493.545 3.806 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274709 UCVPPQOVIZBYNU-UHFFFAOYSA-N 489.985 3.812 5 40 JHBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)C3=O 15838115 ADBGFQRYQKKIMN-QHCPKHFHSA-N 477.517 3.586 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18087339 OYBIPZLORQVUKO-QHAWAJNXSA-N 460.402 3.554 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260941200 RMKJBWPRJZXROT-GOSISDBHSA-N 477.583 3.952 5 40 JHBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408655080 CRJXOSJIZLZVCM-JSNMRZPZSA-N 479.489 3.624 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1[N+](=O)[O-] 408671724 UHZRXDGOXMVJSJ-GFCCVEGCSA-N 466.277 3.745 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 15628086 INGLACAXPOKTEM-UHFFFAOYSA-N 477.520 3.508 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 22313573 PAWDGQNUFXCNNT-QHCPKHFHSA-N 465.531 3.984 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408662890 MXHANQOOCGOVPL-HBGVWJBISA-N 491.500 3.541 5 40 JHBB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 408671142 JZKSOBXFCKGCAW-UHFFFAOYSA-N 486.477 3.705 5 40 JHBB Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)COC(C)(C)C5)c1 9345607 UTQMYGACVPNYCI-UHFFFAOYSA-N 479.591 3.877 5 40 JHBB CCS(=O)(=O)N1CCC[C@H](c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)C1 13644156 SYFUQAIGEXJRDB-NSHDSACASA-N 484.529 3.744 5 40 JHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nnc2ccc(C(F)(F)F)cn12 14809670 UCZFMYAKSZPKRP-UHFFFAOYSA-N 451.408 3.533 5 40 JHBB CCN(CC)C(=O)N[C@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl 28294143 IQKAZFMXCYEHPF-LBPRGKRZSA-N 472.782 3.638 5 40 JHBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] 34700933 ZMGZGEFVHWVFRL-UHFFFAOYSA-N 483.525 3.854 5 40 JHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 65586061 OKQBXWXQZNBKMZ-UHFFFAOYSA-N 481.961 3.987 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 138119029 RDBXRFOLKKAKLB-YCAMKHIRSA-N 465.465 3.993 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224936878 MGRPKSNQQSHAAS-OAQYLSRUSA-N 487.553 3.570 5 40 JHBB COc1ccc(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 8666727 YOIMWKBDWGTGAD-NSHDSACASA-N 456.373 3.857 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)c(C)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408653014 PLWADEOLHKWJTM-VXKWHMMOSA-N 475.501 3.793 5 40 JHBB CCOC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OCC 3260458 VPAZLVUQRROLSO-UHFFFAOYSA-N 465.462 3.966 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13591830 SDLRNEKMDVIMAG-QTZVNIFKSA-N 454.486 3.898 5 40 JHBB COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 17258081 WAKWGCLELITBPG-LBPRGKRZSA-N 464.858 3.531 5 40 JHBB CCOC(=O)N1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22852310 GLXDREYUMNMMNU-QGZVFWFLSA-N 498.521 3.528 5 40 JHBB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 408548338 GNKJSLFWCLKITQ-LZYBPNLTSA-N 480.260 3.546 5 40 JHBB Cc1sc2nc(CS[C@H](C)C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)[nH]c(=O)c2c1C 3450883 UGGCLOIMMSWMON-GFCCVEGCSA-N 491.547 3.741 5 40 JHBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1 32843013 MYBCFOQFECBGIJ-UHFFFAOYSA-N 462.432 3.823 5 40 JHBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408777286 XNGNZUVYGLVMRW-FJWZAKCXSA-N 487.562 3.994 5 40 JHBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15988935 MRGMPRQUSGKBCP-CBPXPLCBSA-N 455.426 3.586 5 40 JHBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c1 223208819 MBUFFCNIFHUOSN-BJKOFHAPSA-N 493.589 3.945 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 408546161 RBFGBOBOGAOQEY-UHFFFAOYSA-N 469.519 3.887 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689316 YDIKSTXQSSDYAV-ISZNXKAUSA-N 496.863 3.521 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9312464 BAWJXRHKMDLBLH-KIHHCIJBSA-N 471.513 3.996 5 40 JHBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9334820 WZVJPBNAXZMBAF-HNNXBMFYSA-N 487.759 3.840 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 138651970 RANZAPAAZAYCBV-VQTJNVASSA-N 481.892 3.830 5 40 JHBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224025824 KLWWLOWRCRIBKY-OAQYLSRUSA-N 487.553 3.715 5 40 JHBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408737252 MRTBVPQQKONGTH-QFIPXVFZSA-N 453.520 3.740 5 40 JHBB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9589395 QCVUKFSWNXSJDS-UHFFFAOYSA-N 490.485 3.524 5 40 JHBB CCOc1ccc(CCNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OCC 9671163 RVQMNEUPXMIYPA-UHFFFAOYSA-N 485.537 3.508 5 40 JHBB COc1cccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)c1OC 12527890 NQWKPPNMULXVIH-UHFFFAOYSA-N 454.508 3.698 5 40 JHBB Cc1nc2ccccc2n1CCNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 18061699 LENOLAKNNLKKDL-MRXNPFEDSA-N 457.556 3.786 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(OCc2ccccc2)cc1 35059928 JGTNDHGBDDWXFL-UHFFFAOYSA-N 470.503 3.987 5 40 JHBB O=c1c(C(c2cccc([N+](=O)[O-])c2)c2c(O)[nH]c3ccccc3c2=O)c(O)[nH]c2ccccc12 39921214 MUSYENVMJMAGBD-UHFFFAOYSA-N 455.426 3.869 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223634269 XBJGVVVZSMIPST-SFTDATJTSA-N 454.508 3.613 5 40 JHBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224549363 DDOIFNUGWPEXLK-FQEVSTJZSA-N 457.527 3.562 5 40 JHBB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225471631 HFGSHAJLPZJFEG-CQSZACIVSA-N 480.384 3.754 5 40 JHBB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409338455 KGUDVXNVGGTAPI-UHFFFAOYSA-N 457.512 3.833 5 40 JHBB CC(C)CN(CC(C)C)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2205653 PXIYBXVBWJIZLO-NRFANRHFSA-N 463.600 3.765 5 40 JHBB O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 13632961 JIQKNKDGCXUUIO-QGZVFWFLSA-N 489.370 3.911 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 19937861 HBBLDZWTZKKIEB-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 57403271 IJOLJRNVPJPKSQ-UHFFFAOYSA-N 457.474 3.819 5 40 JHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223031382 GSYBYHHAKGNJRX-LEWJYISDSA-N 454.508 3.877 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccc(C)cc3)C(=O)[C@@H]2C1 408640922 BQAQLMNPYXOLLV-BULFRSBZSA-N 475.501 3.873 5 40 JHBB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9714924 LEXHHEFZUSSZKU-UHFFFAOYSA-N 453.402 3.934 5 40 JHBB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12515617 LMQJUFFRGUIIJP-IBGZPJMESA-N 475.910 3.902 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 15997049 ROWCZIRSIKFAAQ-KEZOAJOQSA-N 498.470 3.804 5 40 JHBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16383424 FHAVBVVEIRFEMB-UHFFFAOYSA-N 459.223 3.635 5 40 JHBB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1OC 16992010 MVIQFVDOCOAWRV-UHFFFAOYSA-N 463.537 3.565 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)C(C)(C)C 17885777 CGCRXLSKRHHLNI-MYGLTJDJSA-N 459.502 3.908 5 40 JHBB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2CC)cc1 100821200 XQEXQHZFLPPWJL-QURGRASLSA-N 476.580 3.793 5 40 JHBB CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101234434 DECWLHVNAHLOPI-ZRBLBEILSA-N 472.457 3.604 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102772390 RRANEJOVMWVIMH-WTEVXDJOSA-N 490.516 3.948 5 40 JHBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223708875 YXQBUEAYZJNYPI-SFTDATJTSA-N 452.492 3.785 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408686532 RQSSPNVGSSZQIL-FVCZOJIISA-N 451.866 3.613 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687222 TXPDNISUNAXJJC-UAOJZALGSA-N 483.908 3.910 5 40 JHBB COc1ccc(C(NC(=O)COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccc(OC)cc2)cc1 17725022 HWWILUSQHCNDIC-UHFFFAOYSA-N 493.516 3.741 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccc(F)cc12 43732432 HPRJXULVRAQMKH-BYPCIHSKSA-N 489.459 3.838 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccccc2)CC1 9895724 UZRCSSSMUARSHM-NRFANRHFSA-N 457.552 3.668 5 40 JHBB O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 11660406 DNJRVEVZMMWJDQ-UHFFFAOYSA-N 460.519 3.866 5 40 JHBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] 40717784 ORUMAISTJZZXOW-UHFFFAOYSA-N 454.527 3.941 5 40 JHBB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224556611 RLIXCHCYHAEAOG-OAQYLSRUSA-N 459.568 3.780 5 40 JHBB CC(C)c1cccc(N[C@H]2CC[C@@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2O)c1 257199653 AAHDPHSPLYFVAD-XGRCMKMKSA-N 475.567 3.555 5 40 JHBB Cc1ccc(C)c(OCCOC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 9283162 HTXALYQBHKFRPL-UHFFFAOYSA-N 496.969 3.888 5 40 JHBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 24445382 FUWHCIHLXDNNKX-XMMPIXPASA-N 495.557 3.968 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408650352 MJBXWMYIIFZEII-PKOBYXMFSA-N 481.892 3.830 5 40 JHBB Cc1nc2ccccc2n1C[C@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 4091097 CHYKFMSYJPNFLH-FQEVSTJZSA-N 466.519 3.509 5 40 JHBB C[C@@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1 5807956 JKIZXGSZFOUAAJ-VSGBNLITSA-N 474.686 3.752 5 40 JHBB Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 20008185 XMCMIYIZNGRSAZ-FQEVSTJZSA-N 457.483 3.571 5 40 JHBB COc1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409170864 WXKSNOKWFSUCKL-LJQANCHMSA-N 484.538 3.579 5 40 JHBB COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F 2380445 LWQCIXKIFZBOHX-UHFFFAOYSA-N 469.706 3.923 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1c(C)ccc([N+](=O)[O-])c1C 12947726 QIAMKDBVMRSGOJ-UHFFFAOYSA-N 491.566 3.802 5 40 JHBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153166 HWDQCXFITGYASP-UHFFFAOYSA-N 478.914 3.682 5 40 JHBB COc1ccc(CCn2c(=N)c(C(=O)NCc3ccc(C)cc3)cc3c(=O)n4ccccc4nc32)cc1 101053289 KULUWVJEDJIAJL-UHFFFAOYSA-N 493.567 3.618 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224587715 AGYBHAIAWAIOCY-OAQYLSRUSA-N 471.554 3.870 5 40 JHBB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224968863 VFQOVZAUEJFGOZ-NRFANRHFSA-N 471.554 3.604 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408689659 YTMOUVQDYHZSKC-CALCHBBNSA-N 484.306 3.866 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 409273654 ZTVOBEGTQGSVOY-UHFFFAOYSA-N 465.837 3.980 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 409333111 ITVSMLPPKXZNOM-UHFFFAOYSA-N 469.519 3.741 5 40 JHBB CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)s1 6135557 QFRGGLLPSXONJU-UHFFFAOYSA-N 467.536 3.987 5 40 JHBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 8395976 RMPYDZRMIMEBAX-VAKHEIKFSA-N 473.463 3.779 5 40 JHBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 8831736 XCHBNQYKZCGMBP-UHFFFAOYSA-N 465.535 3.733 5 40 JHBB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OCC 9464146 TXOFHEXXNAJCII-UHFFFAOYSA-N 495.326 3.670 5 40 JHBB CN1C(=S)S[C@@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 102724450 XCPXSWDILTVGFP-XKGFGPFHSA-N 498.586 3.510 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224697988 BIOOJALQBWVIMD-MRXNPFEDSA-N 473.501 3.597 5 40 JHBB CC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 6074122 UEKCWZJLIIHFOI-UHFFFAOYSA-N 453.476 3.631 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 8445729 HJXUQCNVFJMSPK-SFHVURJKSA-N 498.521 3.980 5 40 JHBB Cc1cc(C)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C(=O)N3CCOCC3)sc2n1 12555505 RTMHXHBHRWGGIQ-UHFFFAOYSA-N 454.508 3.854 5 40 JHBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 21616005 DWIUIHSEHSVMON-UHFFFAOYSA-N 458.824 3.698 5 40 JHBB CC1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 22740949 FXCNFAGGEZLELK-UHFFFAOYSA-N 483.594 3.795 5 40 JHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 32753843 UJXUHQWMWYVSER-UHFFFAOYSA-N 459.933 3.793 5 40 JHBB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57611563 WBFUYIJFZYTPGH-QGZVFWFLSA-N 451.502 3.624 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cc2ccccc2o1 103077041 HFWCGEUJWZKTJI-OLFWJLLRSA-N 484.512 3.969 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678767 CZKOXAYKXFWNJJ-HKUYNNGSSA-N 481.892 3.830 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408679975 FSLMJYNZYOYZMF-IQGAEYHTSA-N 451.866 3.613 5 40 JHBB COc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@H](C)C5)cc1 2408702 QIRUDTWFELJOSH-LBPRGKRZSA-N 479.591 3.851 5 40 JHBB CCOc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 22745431 IPRJELMCYGSUOB-UHFFFAOYSA-N 487.563 3.567 5 40 JHBB Cc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C2CC2)cc1 25292767 UNZBOMNYSXUMSV-UHFFFAOYSA-N 471.579 3.804 5 40 JHBB CCCc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 224937014 TXWQRHLJNGDVGX-UHFFFAOYSA-N 498.001 3.942 5 40 JHBB Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409161570 VVIQFJZGAMDISL-IBGZPJMESA-N 468.539 3.879 5 40 JHBB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2616405 KUWKZJAPQJVCIR-UHFFFAOYSA-N 463.475 3.543 5 40 JHBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 8831418 NEEPASGVCATYNH-UHFFFAOYSA-N 455.540 3.916 5 40 JHBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 9908037 JBXXQZKXCPEJMG-DHZHZOJOSA-N 452.511 3.565 5 40 JHBB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cn(C)c3ccccc23)cc1[N+](=O)[O-] 15109226 MYEMRUYGYOTNMF-VWLOTQADSA-N 499.527 3.534 5 40 JHBB CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(CC)c2nc3ccccc3s2)cc1OC 19159844 UEEGUSFBSMZFMU-UHFFFAOYSA-N 459.480 3.822 5 40 JHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 40051313 ILRFLVIDOSJUBT-GFCCVEGCSA-N 483.333 3.829 5 40 JHBB CCOc1cc(-c2ccccc2)sc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 40145389 DPPBXRDGUBZQIY-UHFFFAOYSA-N 489.575 3.967 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229642494 HNVGXGHZRLFXTL-KEZOAJOQSA-N 498.470 3.762 5 40 JHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 408609308 ZFXIGOMUUGBTKM-QPJJXVBHSA-N 467.434 3.859 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1 409153429 CYEIWNPQUYISQM-QRWLVFNGSA-N 482.566 3.810 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(C)c1ccccc1 9441091 KEOUWZBSRYVVPC-UHFFFAOYSA-N 483.502 3.524 5 40 JHBB Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c1C 16044314 DEKPFEYZSYZOMG-HUUCEWRRSA-N 459.886 3.788 5 40 JHBB COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c([N+](=O)[O-])c1 95929370 LBEDSBDDUPMFBF-QFIPXVFZSA-N 459.462 3.565 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cccs1 100820978 CGAMHNGRXWEEQU-NFFVHWSESA-N 484.537 3.677 5 40 JHBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 223209133 WRUKBWJZOCSZPR-ZEQRLZLVSA-N 493.589 3.945 5 40 JHBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223321915 DLJDTUMODWNNKQ-KRWDZBQOSA-N 484.336 3.842 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223655444 DRTKWYRSFCCKEQ-NRFANRHFSA-N 477.583 3.632 5 40 JHBB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223958915 KSRVKOOASCFDQL-CYBMUJFWSA-N 484.336 3.842 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408565391 KGJMDEKBABPRQW-LNXUECGXSA-N 477.492 3.935 5 40 JHBB O=C1c2cc(Br)cc([N+](=O)[O-])c2OCC1(CN1CCCCC1)CN1CCCCC1 19144117 GYMNVYNRTBATBC-UHFFFAOYSA-N 466.376 3.891 5 40 JHBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 34719851 FXYCRPALNXTOED-XZZVZQAVSA-N 455.470 3.733 5 40 JHBB COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 89465993 NKMIHQQSIMNQIP-UHFFFAOYSA-N 453.904 3.684 5 40 JHBB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 9518643 KGZKENZNHRBAPO-UHFFFAOYSA-N 455.496 3.509 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 13845213 FYHJNISNSQWHBX-JTQLQIEISA-N 462.311 3.703 5 40 JHBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22908251 HVSWLNIOLURUJH-FQEVSTJZSA-N 450.520 3.511 5 40 JHBB CN(C(=O)c1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 102113193 QDVLLLJAJNDRDM-UHFFFAOYSA-N 479.405 3.964 5 40 JHBB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224518178 OVZXDKOENCWJPA-NRFANRHFSA-N 459.568 3.780 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 260772652 VKOOZMSJXIDDCP-OXJNMPFZSA-N 475.567 3.948 5 40 JHBB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408639290 FNKYNILKDNMYKP-FUHWJXTLSA-N 499.479 3.911 5 40 JHBB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 409025989 CUTPQRJMVSPBLG-UHFFFAOYSA-N 455.492 3.579 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409161414 UTKXVYZFRDFYAR-HXUWFJFHSA-N 498.565 3.770 5 40 JHBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2ccccc2C1 604406030 YXRCFXPFOLGFTI-WZRJCJTJSA-N 496.567 3.506 5 40 JHBB biogenic CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 9303927 GJFQMAPHCKNEHN-YUMYIRISSA-N 459.502 3.852 5 40 JHBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 28924160 ZVOMPDWXPHYLQN-XMMPIXPASA-N 459.506 3.700 5 40 JHBB CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 9128883 YBGJFYVHRZSCFE-UHFFFAOYSA-N 474.564 3.600 5 40 JHBB CCCCn1/c(=N/C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 9281738 BYRMWVLSXUMEGR-YYADALCUSA-N 464.547 3.737 5 40 JHBB COc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409148358 PLDTUWXHLIRFPY-HXUWFJFHSA-N 498.565 3.590 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 22024840 AZBPJZSCRTUYSG-GOSISDBHSA-N 477.436 3.513 5 40 JHBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129181 MDKAWFIEKHSDSV-FATZIPQQSA-N 486.480 3.713 5 40 JHBB biogenic Cc1cc(C)cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 9554129 ATOQSZKUOZUBKJ-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20566923 SVAIFRRTLZBRDN-DEJKCJRPSA-N 490.516 3.948 5 40 JHBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2ccccc2s1 22997264 GMRPZFQDJGJYJQ-DHZHZOJOSA-N 452.536 3.973 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101235313 XDXOICADXQIXHP-UHFFFAOYSA-N 467.504 3.554 5 40 JHBB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 102743877 LYPNGYSKAYHGLJ-YPAWHYETSA-N 463.421 3.794 5 40 JHBB Cc1c(O[C@H](C)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc2c1oc(=O)c1ccccc12 137961529 GXTFVQZVTBUXLF-CEXWTWQISA-N 470.525 3.830 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222857316 UUXIUABWCRKWAC-HNNXBMFYSA-N 477.945 3.968 5 40 JHBB Cc1cc(C)cc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 224059427 OBZCZTYXMDOVAY-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB CCOc1ccc(NC(=O)c2nn(C)c(C(=O)Nc3ccc(OCC)cc3)c2[N+](=O)[O-])cc1 857670 GMLHUUDJHDMTKA-UHFFFAOYSA-N 453.455 3.630 5 40 JHBB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 8948573 LIMAFZSMLLDRNG-QFIPXVFZSA-N 458.902 3.951 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c([N+](=O)[O-])c1 9403225 VTRAUVOUJORLFO-UHFFFAOYSA-N 486.513 3.981 5 40 JHBB C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2N1S(C)(=O)=O 12853418 JUQFESZKWWQVGS-GFCCVEGCSA-N 458.521 3.681 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22748175 PZMSSPNDGQDUDQ-UHFFFAOYSA-N 489.985 3.812 5 40 JHBB COC(=O)c1cn(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc12 222576605 LLVRVYAXDDTJHN-UHFFFAOYSA-N 493.497 3.872 5 40 JHBB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 8897442 ULFJNXNSBMOWNF-UHFFFAOYSA-N 493.545 3.650 5 40 JHBB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(F)(F)F)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 16695133 SXBABIUXEQNPFO-UHFFFAOYSA-N 499.389 3.796 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 17270586 FRJLGYAFZMNKND-UHFFFAOYSA-N 465.462 3.595 5 40 JHBB COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 197760722 AHRGXWKASBTMBU-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 2149488 IOFZUMYZTXNVLA-RPLLCQBOSA-N 496.523 3.970 5 40 JHBB biogenic COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396709 XENHPEFPSOCVNR-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 12939986 VZMKNIKFZQPLHE-KRWDZBQOSA-N 474.587 3.641 5 40 JHBB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 17270187 PCNHTHUTQOFBFB-UHFFFAOYSA-N 478.552 3.886 5 40 JHBB CN(C)Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 24811729 RSQJNVKEMGSRGE-UHFFFAOYSA-N 454.508 3.710 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36315261 VYAITNNQJYRZKQ-WTEVXDJOSA-N 472.526 3.809 5 40 JHBB C[C@@H]1CN(c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2F)C[C@@H](C)O1 40145497 LEUWZZMNPAFCKZ-HUUCEWRRSA-N 472.473 3.674 5 40 JHBB CCN(CC)CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 40158385 NGESITDKLXWPKD-UHFFFAOYSA-N 486.388 3.903 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223634129 XBJGVVVZSMIPST-NHCUHLMSSA-N 454.508 3.613 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1C 408641618 CVMMUDTXEKZQHD-ARBPTSGCSA-N 477.517 3.873 5 40 JHBB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408662440 IPMJSOPYSKOZJU-UHFFFAOYSA-N 484.690 3.911 5 40 JHBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 2148935 VHNGMPJSBOXGEO-OZXSUGGESA-N 466.497 3.961 5 40 JHBB biogenic O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9579984 UGBMFHXUOZOXRH-LJQANCHMSA-N 478.848 3.815 5 40 JHBB CNc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 9581191 YKPOXDXFZQICGF-UHFFFAOYSA-N 496.589 3.595 5 40 JHBB Cc1cc(=O)oc2cc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12 9663533 VYRFUNNMNBCDDQ-GOSISDBHSA-N 463.446 3.659 5 40 JHBB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 10218678 VRVXXHCDLHCAOE-UHFFFAOYSA-N 461.521 3.920 5 40 JHBB COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 22997867 MOIDXESKAWZGNK-UHFFFAOYSA-N 470.551 3.891 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1 32124802 OQCGXJLHDPRZGG-WQRHYEAKSA-N 473.532 3.663 5 40 JHBB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 96551231 AEBVYTGEVBCCLB-LICLKQGHSA-N 461.883 3.723 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 101342810 FIJHVXBCEJWKML-LWSSLDFYSA-N 498.470 3.804 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182412 LTTIVDPQOJFFFD-SRKIZSPNSA-N 497.960 3.668 5 40 JHBB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 9670784 WFKHCVLZPMHMIJ-UHFFFAOYSA-N 477.926 3.758 5 40 JHBB Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F 12558628 NFUQERWAWHIOKM-INIZCTEOSA-N 458.393 3.962 5 40 JHBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 17467088 BUHIPWQUUOSWCH-OPYAIIAOSA-N 475.379 3.802 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccco3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 104041808 SIVAFGOCDXMPMM-ODAXIHTASA-N 469.453 3.895 5 40 JHBB COC(=O)Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 408919206 UVASLHKKMDYJAW-VXLYETTFSA-N 451.460 3.959 5 40 JHBB CCOc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409167498 IRPKMZGXBIBHSK-FQEVSTJZSA-N 498.565 3.970 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 9164906 VHNGMPJSBOXGEO-ZEQKJWHPSA-N 466.497 3.961 5 40 JHBB biogenic CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 9185616 CWBFOZNZYALHJC-QFZWGZQFSA-N 468.506 3.942 5 40 JHBB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 9209583 CBFSPFZKZDRLMV-VEXUSMLFSA-N 453.495 3.630 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18190137 FDRVSJNOHWSSMY-VJBWXMMDSA-N 493.447 3.802 5 40 JHBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cccc1[N+](=O)[O-] 22525975 JKJDAXOROHIBBI-UHFFFAOYSA-N 496.383 3.846 5 40 JHBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 32116597 NEJICIXJVAPVBM-UHFFFAOYSA-N 475.118 3.952 5 40 JHBB O=C(c1ccncc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 35808789 UAADHONVUAJZAA-ONJIFJTESA-N 454.486 3.898 5 40 JHBB O=C(c1ccncc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 35808792 UAADHONVUAJZAA-FCBCXNLDSA-N 454.486 3.898 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]2[C@@]12C(=O)Nc1ccccc12 36498581 CZOFAXAGACQLKX-SAYRZEODSA-N 494.507 3.609 5 40 JHBB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc2O1 41158184 SVVQNAGQYBVMAW-HNNXBMFYSA-N 453.476 3.823 5 40 JHBB NC(=O)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)cc2)CC1 58161624 RDKRJOLTULLUBU-UHFFFAOYSA-N 451.527 3.539 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 107642038 LVGMWESKQZVLCY-OAHLLOKOSA-N 498.565 3.745 5 40 JHBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225544196 LEOSJPLKYDYXIQ-DEOSSOPVSA-N 491.544 3.677 5 40 JHBB CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566002 MODWHTDXURENOY-PBXXJUDPSA-N 474.473 3.696 5 40 JHBB CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731571 NSPGBVYOOGSFBB-NRFANRHFSA-N 454.483 3.578 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O 409180419 SGVIZMXWACYGBP-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB CCN(CC)C(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 409337777 VKXAQKDNHQQWGD-UHFFFAOYSA-N 470.532 3.966 5 40 JHBB O=C(COC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1846890 VHIBHRLSRQSJTN-UHFFFAOYSA-N 492.396 3.582 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 8993067 JIOXPDIBCVUSDH-GPJHCHHRSA-N 459.502 3.853 5 40 JHBB COc1cccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9630858 YOJYLEUWISQPKT-UHFFFAOYSA-N 493.476 3.591 5 40 JHBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1[N+](=O)[O-] 9714628 LNZWOJCSXFAPMS-UHFFFAOYSA-N 484.494 3.669 5 40 JHBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 13777732 LVEVNSILPXFQHJ-VXNXHJTFSA-N 489.484 3.972 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222549149 PKQKCOBULQKYEB-LAUBAEHRSA-N 487.553 3.713 5 40 JHBB CCc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408641216 LFAXFVGEXOEVKA-KRWDZBQOSA-N 499.479 3.916 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408649570 LJLCUBLETKORIN-RZTYQLBFSA-N 493.516 3.653 5 40 JHBB CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409234036 XZDQOLQERJSGMF-CXUHLZMHSA-N 476.283 3.858 5 40 JHBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 9971927 CULDTMNWKNZSMB-UHFFFAOYSA-N 461.522 3.881 5 40 JHBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14273082 BOGJFYUODCXMFK-UHFFFAOYSA-N 466.450 3.538 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 24771246 UDLICKUAQFAMOC-UXHICEINSA-N 491.903 3.705 5 40 JHBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 30013743 WKLWKWBVEZTZEB-XMMPIXPASA-N 455.558 3.653 5 40 JHBB O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccc([N+](=O)[O-])cc5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]64 103592029 DQSHVYJZUYBCIX-MFZIVMJQSA-N 470.549 3.716 5 40 JHBB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 408645885 MHNJYWPZIHRBMU-UHFFFAOYSA-N 464.272 3.566 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408664063 YQNSPXAUOCVROB-PMACEKPBSA-N 481.892 3.830 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 409128914 PXDCHRVFNDHYLU-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB COc1cc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc(OC)c1OC 2660546 WJWGKYXRJKZBEY-UHFFFAOYSA-N 461.452 3.829 5 40 JHBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(C)c1C(=O)OC 9349243 ZUDWXJWPXUHLOU-UHFFFAOYSA-N 453.451 3.653 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Oc2ccccc2)cc1 408672032 YSCWZOYYHNCJEA-QGZVFWFLSA-N 475.457 3.922 5 40 JHBB COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 6157260 JSEITYYGIWCVTB-UHFFFAOYSA-N 462.491 3.977 5 40 JHBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 6177623 WWKMIWQNONFYMN-UHFFFAOYSA-N 477.231 3.596 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9313398 HUEUWSZIHWJRGY-QUMGSSFMSA-N 493.519 3.906 5 40 JHBB COc1ccc(C2=NN(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)[C@H](c3ccco3)C2)cc1 9662629 KXNFKMMJXIHIFZ-INIZCTEOSA-N 455.448 3.793 5 40 JHBB O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 21817109 YBXUBSUHCXCHOA-XMMPIXPASA-N 472.501 3.841 5 40 JHBB COc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c([N+](=O)[O-])c1 32895768 AQDGGXITOYVVDV-UHFFFAOYSA-N 464.887 3.660 5 40 JHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 33010839 CNSMNEYJWVTEJI-UHFFFAOYSA-N 481.559 3.777 5 40 JHBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)c2ccccc2O1 46086351 HUSNLZNGVKXYJR-MRXNPFEDSA-N 483.502 3.589 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 409205672 DUYUFBNQIPBFLM-UYRXBGFRSA-N 486.937 3.633 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCCCCC4)CC3)c([N+](=O)[O-])c2)C1 15117885 KLYYHIJQUZZMKY-IBGZPJMESA-N 492.642 3.634 5 40 JHBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 19938187 KQXOFZOCGNAJBE-UHFFFAOYSA-N 466.519 3.814 5 40 JHBB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224069156 DDOXJRWIYVILRH-OAQYLSRUSA-N 471.554 3.748 5 40 JHBB CCN(CC)C(=O)C1=CCC[N@+](C)(CCCCCC[N@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1 245231663 HNDVYBMXXUXLPW-MEKGRNQZSA-N 476.750 3.837 5 40 JHBB COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 836522 KHEWAQWURUVDTB-UHFFFAOYSA-N 464.430 3.904 5 40 JHBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 3129932 HEYVDMFKTLIJGS-UHFFFAOYSA-N 464.365 3.543 5 40 JHBB CC[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223726843 RKIDRRFLZLBAQA-HXUWFJFHSA-N 491.610 3.941 5 40 JHBB CCn1c(=O)n(CC)c2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(Br)cc21 408536409 WLDQWIZBZZHHPG-UHFFFAOYSA-N 478.259 3.674 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408652915 PDHUBVJWDSLNGP-XWRIVVANSA-N 481.892 3.686 5 40 JHBB 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COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 2339600 LAQLHWDVYOBNTC-PZHBDVNGSA-N 491.569 3.614 5 40 JHBB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1cccc([N+](=O)[O-])c1 8868273 CNYMFFDBNQFGIQ-CQSZACIVSA-N 477.322 3.883 5 40 JHBB CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064671 RQYUAHQZXWOWIB-UHFFFAOYSA-N 456.524 3.889 5 40 JHBB Cc1ccc(C(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 13029676 MPANLBSNRKOODO-UHFFFAOYSA-N 465.412 3.860 5 40 JHBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 20009093 SRPMXITUKZTIOH-QFIPXVFZSA-N 483.546 3.749 5 40 JHBB Cc1ccc(NC(=O)[C@H](Sc2nnc(C(F)(F)F)n2N)c2ccccc2)c([N+](=O)[O-])c1 36640281 AFGPEZZUZFKTHH-CQSZACIVSA-N 452.418 3.699 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 43578430 WDKSHQXVVHSSAZ-APDHKMKFSA-N 490.516 3.948 5 40 JHBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 57238689 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CCCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907829 MHHWCJPVZIKVKQ-UHFFFAOYSA-N 482.537 3.851 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13811594 VODICKRBOLSNKG-DEJKCJRPSA-N 472.526 3.809 5 40 JHBB CCOc1cc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc(OCC)c1OCC 14271006 VCVQJYZMTQVVOY-UHFFFAOYSA-N 463.512 3.926 5 40 JHBB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 58160380 CZDCOHCCZATGSE-UHFFFAOYSA-N 453.724 3.771 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 408648214 JTOYBGLNOMWWSL-KDURUIRLSA-N 469.881 3.664 5 40 JHBB Cc1cc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)ccc1Oc1ccc([N+](=O)[O-])cc1 408651519 CMTWIBKURARMRL-KAMFCVTASA-N 451.431 3.619 5 40 JHBB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408662148 MQXIBVZMXMCLQI-OVSHCGGKSA-N 471.849 3.964 5 40 JHBB O=C(CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1F 409217904 RMFIUBASWVGONS-WOJGMQOQSA-N 450.382 3.525 5 40 JHBB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)n1 3352933 XHXLRQBZPDKMJC-UHFFFAOYSA-N 464.265 3.895 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(Sc3nnc4ccccn34)c([N+](=O)[O-])c2)cc1 9127680 FNEKCCYAJXFUKH-UHFFFAOYSA-N 457.493 3.598 5 40 JHBB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 9506816 YSQZXROEXNVCPB-MRXNPFEDSA-N 474.926 3.868 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008174 CBKXTSUBDGDOQS-NRFANRHFSA-N 457.483 3.571 5 40 JHBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])C1 35239816 QHPRPWJZFHZYBA-KRWDZBQOSA-N 472.567 3.868 5 40 JHBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c([N+](=O)[O-])c1 40149396 OFLOINHXVCUQPJ-AWEZNQCLSA-N 495.989 3.575 5 40 JHBB Cn1cnnc1Sc1ccc([C@@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-] 59488706 HCYHACJUGHIUFU-FQEVSTJZSA-N 459.495 3.673 5 40 JHBB COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl 107732103 PMTYWYKGGQYBCU-UHFFFAOYSA-N 495.363 3.709 5 40 JHBB CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1 253574984 UBVDPEPLCPQLPH-IQUTYRLHSA-N 450.568 3.928 5 40 JHBB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092974 JIHMWFNYOBQSLC-INIZCTEOSA-N 451.500 3.835 5 40 JHBB biogenic O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2636066 LGNOUEZSXWTVAF-UHFFFAOYSA-N 466.431 3.845 5 40 JHBB O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3230794 OXSSHNHFRDWMSQ-UHFFFAOYSA-N 457.442 3.670 5 40 JHBB COc1ccc([C@H]2SCCN2C(=O)c2cccc([N+](=O)[O-])c2C(=O)O)cc1Br 8826624 AHHVCFBYRVWLCH-QGZVFWFLSA-N 467.297 3.952 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064641 JYGXUGVDQICUKD-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)scc12 9381333 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Cc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22578658 ZFFKRJMKILENGS-UHFFFAOYSA-N 467.263 3.597 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 32999800 FOHQJDDSOCCGSK-ZWKOTPCHSA-N 454.310 3.506 5 40 JHBB COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1NC(=O)OC(C)(C)C 36395933 CDPAUGRDMGQHPR-UHFFFAOYSA-N 453.473 3.760 5 40 JHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 2238715 SNAIXWGWRZKBQP-NJYVYQBISA-N 460.402 3.554 5 40 JHBB O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 3286427 QQZHYEXXJXHNIQ-UHFFFAOYSA-N 494.209 3.832 5 40 JHBB Cn1ccnc1Sc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 9631125 FLOSFTNYSIIYAS-SAPNQHFASA-N 490.545 3.755 5 40 JHBB CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 13681259 JIOXPDIBCVUSDH-KAOXLYBCSA-N 459.502 3.853 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 14137151 NSYIPZXNDRFJKE-UHFFFAOYSA-N 473.511 3.630 5 40 JHBB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 20007339 PZHNQJLGYLKCCD-HXUWFJFHSA-N 483.546 3.749 5 40 JHBB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 58051968 WHAOXUHHTYHSSE-UHFFFAOYSA-N 467.482 3.788 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 89780769 VGDFRRLFMGGBLX-UHFFFAOYSA-N 467.912 3.850 5 40 JHBB CCn1c(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631477 FBJXCMPLVFMNDA-ZDLGFXPLSA-N 472.479 3.814 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408659636 WECNLNQQSDENRY-SNHGZMDHSA-N 481.892 3.519 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408688932 XGWQIUJQHKGHLG-CFSSXQINSA-N 498.879 3.911 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8923299 GZWCOAIBKJLLMH-IBGZPJMESA-N 488.452 3.593 5 40 JHBB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc([N+](=O)[O-])cc1 9761925 ORWAYSGUOQQJCX-UHFFFAOYSA-N 474.267 3.659 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] 32127865 HQMQJJHXSIOMRM-UHFFFAOYSA-N 483.535 3.513 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176543 QQJDKUZHTQIIOC-OLFWJLLRSA-N 488.544 3.766 5 40 JHBB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCc1ccc([N+](=O)[O-])cc1 113834561 FZHUICMUVDEMPH-XKZIYDEJSA-N 459.483 3.953 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408570880 MDWMTCFKKCWBII-JMTGYTTLSA-N 477.492 3.982 5 40 JHBB CCOC(=O)c1ccc(COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2OC)cc1 408606829 QUBUWPWEDWTNCN-YRNVUSSQSA-N 467.434 3.731 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408648151 JRPROJJMYUZAKK-WOSNLTMFSA-N 477.517 3.953 5 40 JHBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1=S 409156098 KOCDENQTHASUHE-UHFFFAOYSA-N 468.539 3.528 5 40 JHBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] 4125323 IYXBYIUYGABCBC-UHFFFAOYSA-N 453.499 3.764 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 8768101 IXEHLVFPWLHLSR-RDGATRHJSA-N 476.533 3.576 5 40 JHBB biogenic CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 10021763 ADUOZIXTWLDSRS-UHFFFAOYSA-N 467.931 3.686 5 40 JHBB CCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1 10076842 JHGWLCRDVXNXHF-UHFFFAOYSA-N 455.496 3.642 5 40 JHBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 21578337 WTWAOAJDDPKYES-UHFFFAOYSA-N 460.918 3.714 5 40 JHBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22744106 IDXNNYRJQJDFLJ-UHFFFAOYSA-N 486.550 3.515 5 40 JHBB C[C@H](OC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(C(F)(F)F)cc1 32933301 GXBVLDXCBNGUCT-LBPRGKRZSA-N 450.373 3.924 5 40 JHBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br 35107633 NRYSTRBVPULPRC-SOFGYWHQSA-N 488.250 3.544 5 40 JHBB CN1C(=S)S[C@@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 102724446 XCPXSWDILTVGFP-TWFHAPMSSA-N 498.586 3.510 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br 138535679 FUWYNFNSXREZQM-UHFFFAOYSA-N 478.299 3.956 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260939181 QOKOFAZVBJNKSV-QRWLVFNGSA-N 475.567 3.514 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408665913 ZQJMACGHMCELAS-LVNJIZSUSA-N 481.892 3.519 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 13083180 CJDVDDRHGBSIHE-UHFFFAOYSA-N 493.911 3.557 5 40 JHBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-] 19868695 KOZXUYOVQZCQNO-UHFFFAOYSA-N 469.922 3.876 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223636185 CSFAPYWHAWCPEY-UHFFFAOYSA-N 485.562 3.798 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680790 GRJYWFJFIUDYNW-IQGAEYHTSA-N 498.333 3.946 5 40 JHBB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 409145752 RRCKGPNWWVTXNA-OAHLLOKOSA-N 468.539 3.562 5 40 JHBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9511200 LGSCHACPGKWTJI-FQEVSTJZSA-N 477.864 3.929 5 40 JHBB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc([N+](=O)[O-])cc1Br 9612991 CCQUPXLMRZGKAP-UHFFFAOYSA-N 459.252 3.970 5 40 JHBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1cccc(F)c1 12551680 KMRNQVVLFRUQQV-LJQANCHMSA-N 461.519 3.746 5 40 JHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12762478 WLFYDZBMBHCEJU-QGZVFWFLSA-N 471.579 3.704 5 40 JHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cn2ccn(-c3cccc(Cl)c3)c2=S)CC1 32532763 DKHYUQDVZUQGQE-UHFFFAOYSA-N 493.998 3.534 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccco1 248126509 VFMPYJZDCPVAIX-HGSOSGBHSA-N 469.453 3.769 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408686290 RICVWYBVGBMBNZ-FEBSWUBLSA-N 453.882 3.837 5 40 JHBB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 9510297 AKNLIQWEJIYZKU-UHFFFAOYSA-N 487.534 3.701 5 40 JHBB COc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC 9634281 NCBMZXVGFCSESL-UHFFFAOYSA-N 482.493 3.891 5 40 JHBB CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15676040 VNPAFKZQVNJLHR-FQEVSTJZSA-N 473.449 3.902 5 40 JHBB biogenic,in-vitro COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1Cl 57470930 NORVCXRSVDZQEQ-OAHLLOKOSA-N 469.929 3.954 5 40 JHBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1[N+](=O)[O-] 8986364 BHJPLAXEDWBVGB-UHFFFAOYSA-N 494.508 3.667 5 40 JHBB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9392141 KDLHUEIUPKQCFC-LJQANCHMSA-N 454.464 3.551 5 40 JHBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)c2ccccc2O1 46086316 GKHKDEMCOXTBKM-MRXNPFEDSA-N 483.502 3.589 5 40 JHBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc21 16118192 YXBOGJJXYMWLFR-MRXNPFEDSA-N 465.506 3.535 5 40 JHBB Cc1nc2n(c1CCNc1ccc(S(=O)(=O)N3CCCCCC3)cc1[N+](=O)[O-])CCCC2 48354926 PNPNDDHTXDZFCS-UHFFFAOYSA-N 461.588 3.655 5 40 JHBB CC[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 101475885 CSZJPPHABIOBLY-IQGNASQBSA-N 459.502 3.852 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222888061 PRFXNXKTGJWNAA-UHFFFAOYSA-N 471.535 3.619 5 40 JHBB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409368120 RVNWXPXRPDNGOI-ZOVQAKDCSA-N 468.465 3.683 5 40 JHBB 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453.499 3.578 5 40 JHBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 101161412 KOMLPZQOLBTTII-UHFFFAOYSA-N 476.945 3.663 5 40 JHBB Cc1cc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1C 914854 LOSNYAUZWYDVKB-UHFFFAOYSA-N 478.530 3.839 5 40 JHBB Cc1cc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)[nH]n1 2968961 WARPGKXDJXWASP-UHFFFAOYSA-N 460.479 3.615 5 40 JHBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1I 3016531 SIITYLHZHCQLQU-UHFFFAOYSA-N 452.233 3.970 5 40 JHBB Cc1cc(=O)oc2cc(OC/C=C3\Oc4ccc([N+](=O)[O-])cc4[C@@H]3N3CCOCC3)ccc12 9065964 XSQRMLHBCDBDOT-ZYCBFVKASA-N 450.447 3.738 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20153113 GVVLNFZCHGKRGC-UHFFFAOYSA-N 472.523 3.670 5 40 JHBB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)cc1 32994624 CSSNBBNRARZZGA-UHFFFAOYSA-N 483.502 3.752 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(C)cc1 102918737 SVCAMERHQQALKG-RMLRFSFXSA-N 472.545 3.840 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225045935 AXWSRXMDEMHWSY-MSOLQXFVSA-N 457.527 3.623 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225125677 UTPRQGDOBNEZHQ-MSOLQXFVSA-N 457.527 3.623 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC 408928897 FTHMPWVNTMBDOT-DJKKODMXSA-N 471.491 3.904 5 40 JHBB COC(=O)c1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)ccc1Cl 409373220 SNKYEYOECJJRCD-UBFBPUDLSA-N 488.883 3.912 5 40 JHBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)c1 2246590 SDGIKKYMPLZJNX-QGZVFWFLSA-N 471.517 3.788 5 40 JHBB Cc1ccc2c(c1)C(c1ccccc1)=N[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2 3188127 OVJAGUUTPJEHOH-JOCHJYFZSA-N 460.402 3.784 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 9285217 YWCXFLZQEHWQOD-UHFFFAOYSA-N 463.418 3.935 5 40 JHBB O=C(NCCc1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9376705 BWACDAYQOHPXGH-UHFFFAOYSA-N 460.895 3.988 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18207972 GOQVYQHWNBCKBV-SGNDLWITSA-N 489.484 3.659 5 40 JHBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc([N+](=O)[O-])ccc1F 21763307 XLEDYJNQRDFRPA-UHFFFAOYSA-N 470.379 3.546 5 40 JHBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223231884 MQDZGDCPFMEQON-MRXNPFEDSA-N 477.945 3.969 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 225883595 YLWJFDWDBZTNMX-UHFFFAOYSA-N 463.581 3.582 5 40 JHBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@@H]3C=CC=NN32)cc1 230043345 PKBKFBIRMARUGK-NMLBUPMWSA-N 456.296 3.678 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408646313 IQXIFVZGTFDABB-GXGSBUKKSA-N 475.501 3.563 5 40 JHBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 409138755 HOUICBAVKDMZQE-UHFFFAOYSA-N 495.348 3.691 5 40 JHBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 409179416 NBPLMLUXHVZPJT-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(C)c1 409341354 BJMQMCJTNXOCRF-NTMALXAHSA-N 466.450 3.691 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1ccccc1=O 8984501 XJRPCYAEOQKCAM-XMMPIXPASA-N 459.502 3.662 5 40 JHBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccs2)cc1 9569316 ZXSWOXUEEUVHBZ-HXUWFJFHSA-N 460.533 3.918 5 40 JHBB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9768128 LZQZIBRVEQGZAU-UHFFFAOYSA-N 484.987 3.939 5 40 JHBB CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 13071870 IPGDYZHMCBZYIV-CQSZACIVSA-N 455.583 3.550 5 40 JHBB CC(C)Oc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 20042877 KQOOEPUGWKSZOM-UHFFFAOYSA-N 483.546 3.894 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4F)nc3c2)cc1[N+](=O)[O-] 32204075 DHCCJZAICXRPBU-UHFFFAOYSA-N 466.454 3.603 5 40 JHBB COC(=O)Cn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(Br)ccc21 100876384 QNTDOUSRZDUIJZ-DYBBPNSKSA-N 476.308 3.687 5 40 JHBB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br 101581870 IDMNVJATNRYARH-QXEWZRGKSA-N 474.105 3.814 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103932775 CGCRXLSKRHHLNI-MBDNFAEBSA-N 459.502 3.908 5 40 JHBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O 9434011 OXRUBTNLKHVWQU-AVRDEDQJSA-N 456.886 3.679 5 40 JHBB CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223115566 DLTKUQDDUJLVRN-ZHRRBRCNSA-N 459.568 3.896 5 40 JHBB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 408661660 GLKXXEYAHHKTBZ-UHFFFAOYSA-N 478.299 3.820 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 409393761 XPZBXRHMYXTXDR-UHFFFAOYSA-N 469.519 3.708 5 40 JHBB CC1(C)C[C@H](C(=O)CCC(=O)N2CCC(O)CC2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587885 OZOZIPNSZMOLCR-FCHUYYIVSA-N 482.581 3.912 5 40 JHBB O=C(CCc1c[nH]c2ccccc12)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2653134 DZWPVIVCHWJLOU-UHFFFAOYSA-N 456.505 3.937 5 40 JHBB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])cc1C 8948583 PVOCINNOFPWLBI-DEOSSOPVSA-N 452.511 3.915 5 40 JHBB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14271110 YMFNHDZQGAVFBG-UHFFFAOYSA-N 455.277 3.889 5 40 JHBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)c1 20411645 BDMAWYTYHYZCLE-UHFFFAOYSA-N 490.516 3.827 5 40 JHBB Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 26805433 QLBOYJHWOXFDQQ-QJOMJCCJSA-N 497.511 3.802 5 40 JHBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 40005037 GTYJVUGTIFLESP-UHFFFAOYSA-N 498.605 3.575 5 40 JHBB CCCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398946 OJVKDBCQZBMCCB-UHFFFAOYSA-N 458.547 3.911 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 408640906 KGWLTDYDFOCCON-INIZCTEOSA-N 485.452 3.662 5 40 JHBB CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(Cn4nc(C)c([N+](=O)[O-])c4C)nnc23)cc1 9439667 DTSGNDDHMWOHRM-UHFFFAOYSA-N 493.911 3.855 5 40 JHBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 40082697 RXAYCEMZSLTWPF-UHFFFAOYSA-N 475.548 3.519 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106531757 CIVOIZBTNPSQGP-LADGPHEKSA-N 464.566 3.701 5 40 JHBB COc1cc(C)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 223311085 BYPLDNDDGXEOTB-KRWDZBQOSA-N 477.583 3.987 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O 408653926 QDDTUOPIRIARMB-JJCGOBCMSA-N 475.501 3.811 5 40 JHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)ccc12 2092487 URUKSWOUHCBGFP-UHFFFAOYSA-N 467.499 3.537 5 40 JHBB biogenic CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)cc1 102918728 MFSHCNFUOTUCPM-WEMUOSSPSA-N 458.518 3.765 5 40 JHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 205756315 CNVNBRGDFXXQQQ-CAOOACKPSA-N 489.418 3.513 5 40 JHBB O=C(CN1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1)N1CCCCC1 253418401 QDUZVVPAMQXFLD-UHFFFAOYSA-N 468.579 3.516 5 40 JHBB CCOc1ccc(Br)cc1[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408567635 QYAVBWJZJLUWKP-UFGBVDADSA-N 472.339 3.902 5 40 JHBB O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 408660970 AFKYAKNXXPXANW-UHFFFAOYSA-N 453.373 3.904 5 40 JHBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408668519 LXEAJYTYFHIGKD-SFHVURJKSA-N 453.495 3.563 5 40 JHBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC(N)=O 3411674 XSHCJHHKKKJVTJ-VIFPVBQESA-N 457.386 3.505 5 40 JHBB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9216331 ZKGVBAGUWKRXME-ZODMCCGTSA-N 469.538 3.919 5 40 JHBB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c(C)c1 9223567 VDYJKCDTNUCPNB-UHFFFAOYSA-N 499.549 3.609 5 40 JHBB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12595839 UGJSJVVFBGYPEF-HNNXBMFYSA-N 471.464 3.894 5 40 JHBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NCc1ccccc1F 62572130 MUGFZNUUSNOWSS-UHFFFAOYSA-N 471.517 3.852 5 40 JHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225164504 ZEAFYMNQIFMCKL-HZPDHXFCSA-N 477.945 3.968 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O 409357312 IPLQXWYIVOYSNH-RQZCQDPDSA-N 457.464 3.601 5 40 JHBB CC(C)CN(CC(C)C)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2205654 PXIYBXVBWJIZLO-OAQYLSRUSA-N 463.600 3.765 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 3569864 NHZIIQCZHMBPAK-UHFFFAOYSA-N 490.425 3.704 5 40 JHBB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 9634785 MEVLNGDABXQLIT-UHFFFAOYSA-N 450.450 3.950 5 40 JHBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 32901053 FKRAMLAPTXTEEN-UHFFFAOYSA-N 481.578 3.735 5 40 JHBB Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(C)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1 100851443 MTUWDUXZNXXEDH-UHFFFAOYSA-N 484.581 3.935 5 40 JHBB CCCn1/c(=N\C(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176377 ZWNPMQJGDQPPHZ-NFFVHWSESA-N 458.518 3.594 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1 408639990 HTZBHVZIAQTNFY-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409075157 VKYBWSCNAQRDHI-MDBUFAAASA-N 472.475 3.780 5 40 JHBB COc1ccc(C)cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409156971 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CJMKZRIPNPJGQX-UHFFFAOYSA-N 494.327 3.778 5 40 JHBB COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2240929 OFOSYWHJBKDEJB-UHFFFAOYSA-N 468.469 3.881 5 40 JHBB C[C@H](c1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C 2663336 RALGUNYLJVZFLJ-GFCCVEGCSA-N 462.482 3.807 5 40 JHBB COc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1OCc1ccc([N+](=O)[O-])cc1 9187179 YZHVSQDNVLCPNW-FYJGNVAPSA-N 459.483 3.953 5 40 JHBB COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl 10331451 SXNPAVLAWCCIRT-SNVBAGLBSA-N 462.311 3.703 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 95929371 FXDVYJJTUMOCMX-JOCHJYFZSA-N 459.462 3.565 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101167770 ABYRMNMCPPHIFQ-NJYVYQBISA-N 460.402 3.554 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(F)c(F)c1 101177228 HNOPCSNKHZBIGR-QUPMIFSKSA-N 480.471 3.501 5 40 JHBB CCCn1/c(=N/C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102756613 LOIXVFGFBQVFFL-YMOKWELZSA-N 470.529 3.685 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1 408640907 KGWLTDYDFOCCON-MRXNPFEDSA-N 485.452 3.662 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 408641868 DGRNVXHGFJBSHN-SSKFGXFMSA-N 491.500 3.573 5 40 JHBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 409130538 HZBPKPOQZGPVBY-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 9285211 WJCLWINGVSPLDH-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB Cc1nc2c3ccccc3n3c(CCCC(=O)N4CCN(c5cccc(C)c5C)CC4)nnc3n2n1 9860220 KSBGIJQYMCPVTG-UHFFFAOYSA-N 482.592 3.522 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222549211 PKQKCOBULQKYEB-UTKZUKDTSA-N 487.553 3.713 5 40 JHBB Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1[N+](=O)[O-] 408545128 YVOODISOMCBOFK-UHFFFAOYSA-N 464.301 3.887 5 40 JHBB CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409045538 ZBPICAQDEKDLFH-VIZOYTHASA-N 462.256 3.515 5 40 JHBB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccccc1F 409211628 NHTLTZCRFVDPCE-LPYMAVHISA-N 490.447 3.844 5 40 JHBB Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1357282 OSTGDLQRNINRHA-AWEZNQCLSA-N 451.552 3.995 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 13062928 UKOMEABSEPAYAC-UHFFFAOYSA-N 476.555 3.527 5 40 JHBB C[C@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 22041655 CUPOUZSVBQUXOF-KRWDZBQOSA-N 454.552 3.880 5 40 JHBB COc1nc(C2=C(C)NC(=O)N(C)[C@H]2c2ccccc2C(F)(F)F)nc(OC)c1[N+](=O)[O-] 27026611 HDQOSFXXERCHKU-ZDUSSCGKSA-N 453.377 3.548 5 40 JHBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 57333728 VUGZYUYMCXMGLQ-UHFFFAOYSA-N 482.537 3.707 5 40 JHBB Cc1[nH]nc(O)c1C(c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1c(O)n[nH]c1C 409365712 ROOTZYMTFSXASK-UHFFFAOYSA-N 466.410 3.950 5 40 JHBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1 2245807 FLTVXQKAHAOOCG-LJQANCHMSA-N 483.528 3.948 5 40 JHBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccc([N+](=O)[O-])cc4)c(N)c23)CO1 2337573 JGWYAVNJEULVGW-UHFFFAOYSA-N 468.535 3.706 5 40 JHBB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2=O)cc1C 8894251 DAQNBICUOJSTJE-VWLOTQADSA-N 476.464 3.785 5 40 JHBB COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12550716 VKJRIRHYWLBIBA-QGZVFWFLSA-N 470.429 3.832 5 40 JHBB O=C(c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)N1CCc2ccc([N+](=O)[O-])cc21 32873591 MFDIJPSIRDYUCG-UHFFFAOYSA-N 474.926 3.932 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 103537285 XEGAXJKTILVQBK-IWCJWCQISA-N 455.829 3.562 5 40 JHBB Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1[C@H]3O 408990066 VDSWOWCBWCWADP-HSZRJFAPSA-N 482.452 3.530 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10360867 CNNHULQYWOYJDK-UHFFFAOYSA-N 473.482 3.961 5 40 JHBB C[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)OCCO2 18108877 RRWJVMXCTYVKEA-OAHLLOKOSA-N 484.486 3.625 5 40 JHBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 20456022 HRMVCUMOAMZYCV-UHFFFAOYSA-N 496.383 3.846 5 40 JHBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399556 KNPVOSANCUEYTG-JTQLQIEISA-N 489.275 3.793 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccs1 101173305 XAJOUNXMMTZPDD-QYQHSDTDSA-N 488.525 3.578 5 40 JHBB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222614673 PUGKRANOMBHWOJ-RXVVDRJESA-N 471.554 3.747 5 40 JHBB C[C@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 223525817 NLYUIWQZQKZZND-GOSISDBHSA-N 453.520 3.710 5 40 JHBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224560662 VIDKISLLLRRQIL-JOCHJYFZSA-N 499.564 3.857 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409354127 YRCRFNRRMYVJGT-RQZCQDPDSA-N 457.464 3.601 5 40 JHBB O=C(Nc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1423271 JAJRWYWNRQRNGJ-OAQYLSRUSA-N 481.486 3.706 5 40 JHBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 8694146 LGJVKLUTYGHBNG-UHFFFAOYSA-N 467.478 3.806 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064662 CQOUNKKAYANWOK-UHFFFAOYSA-N 459.484 3.629 5 40 JHBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9446060 DEYZXNDQSDDSPS-UHFFFAOYSA-N 473.536 3.540 5 40 JHBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] 57316421 PKZYTVBUPJNCQI-UHFFFAOYSA-N 483.594 3.725 5 40 JHBB COCc1cccc(NC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)c1 224822711 NCBJKQGYBQKECW-UHFFFAOYSA-N 469.519 3.960 5 40 JHBB Cc1ccc(S(=O)(=O)Oc2ccc3sc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1 5487777 LJIVEEFMOICGHP-UHFFFAOYSA-N 498.626 3.957 5 40 JHBB CCCCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101126910 OWYJSOJOJQDBQY-FAJYDZGRSA-N 476.508 3.896 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc2O1 225131875 SQBCKYCLIUIJOP-GOSISDBHSA-N 491.566 3.568 5 40 JHBB COc1c2c(cc3c1[C@@H](CC(=O)c1c(O)c(OC)c4occc4c1OC)[N+](C)(C)CC3)OCO2 1820608 XTRKZMFPKIQAIJ-OAHLLOKOSA-O 470.498 3.840 5 40 JHBB biogenic O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 8449390 NUBVECBOADBXBC-UHFFFAOYSA-N 494.372 3.703 5 40 JHBB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 9631116 OAHRLVHOGAQILT-UHFFFAOYSA-N 469.475 3.616 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 14801346 XCMWSKRVQBWAGK-UHFFFAOYSA-N 499.527 3.511 5 40 JHBB CCOc1cccc2cc([C@H](C)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])oc12 32743576 RFLRCZJVWRCGHW-HNNXBMFYSA-N 475.523 3.934 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccco3)[C@@H]2C1=O 107176202 NDWRIMQVLBELHV-WBADGQHESA-N 485.452 3.595 5 40 JHBB COC(=O)c1cn(C(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc12 222638175 IMACGAADZJLOTA-UHFFFAOYSA-N 473.507 3.531 5 40 JHBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224587671 AGYBHAIAWAIOCY-NRFANRHFSA-N 471.554 3.870 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408684114 MVRHLCASWWXBIF-ROUUACIJSA-N 484.852 3.665 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408687870 VGZYKWOFCCLEAJ-YXKFXFPPSA-N 498.879 3.911 5 40 JHBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CCCO)c2nc3ccccc3nc12 3181534 XYHVVONYWXUEAK-UHFFFAOYSA-N 497.895 3.958 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 9357916 QWOCTLVLSFTXMA-RDGATRHJSA-N 476.533 3.576 5 40 JHBB biogenic COc1cc2c(cc1OC)CN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 9379064 MLMKSFYIHHPYNU-UHFFFAOYSA-N 468.432 3.811 5 40 JHBB CCCn1c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2sc3c(c2c1=O)CCCC3 12390780 JGAFQIQYLVRPOC-UHFFFAOYSA-N 481.578 3.617 5 40 JHBB Cc1ccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCOCC2)o1 12558065 KPHDGGVUNGEHRP-QFIPXVFZSA-N 456.543 3.536 5 40 JHBB CN(CC(=O)N(Cc1ccccc1)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13148541 FOSUFYGEVILCKC-UHFFFAOYSA-N 453.948 3.696 5 40 JHBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2cccnc2[N+](=O)[O-])cc1OC 21178011 QSVZGINTYQKJMS-INIZCTEOSA-N 468.491 3.825 5 40 JHBB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22565369 LRMLIIYAVNIETN-AWEZNQCLSA-N 458.540 3.777 5 40 JHBB CC[C@H]1CCCCN1[C@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 35188455 MGQYAPQDECRUOR-JSGCOSHPSA-N 456.758 3.787 5 40 JHBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223172503 HASWQIAUMAFQQR-IBGZPJMESA-N 457.527 3.704 5 40 JHBB CSc1ccccc1NC(=O)CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 9512212 UPNDWXYFBKFNLP-UHFFFAOYSA-N 478.596 3.566 5 40 JHBB CCS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 9707949 JVBVTLGDCNSNNH-UHFFFAOYSA-N 476.580 3.597 5 40 JHBB CC[C@@H](Sc1nnc(CC(=O)Nc2ccc(F)cc2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 18201381 YTCRZRMZZQGPAF-QGZVFWFLSA-N 472.502 3.553 5 40 JHBB CNc1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 31518741 CKRGXSBLIHXZMX-UHFFFAOYSA-N 473.533 3.780 5 40 JHBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 33489841 FZBMWQXFAZQBQQ-UHFFFAOYSA-N 479.470 3.917 5 40 JHBB C[C@H]1CN(c2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2F)C[C@@H](C)O1 40145495 LEUWZZMNPAFCKZ-GASCZTMLSA-N 472.473 3.674 5 40 JHBB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2C)cc1 100821178 SVMZKFNSQQBAGD-GBWQBGJGSA-N 488.591 3.842 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408684112 MVRHLCASWWXBIF-QZTJIDSGSA-N 484.852 3.665 5 40 JHBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 409322946 LYPPNNGWIHZCDC-UITAMQMPSA-N 454.395 3.852 5 40 JHBB COc1c2c(cc3c1[C@H](CC(=O)c1c(O)c(OC)c4occc4c1OC)[N+](C)(C)CC3)OCO2 1820609 XTRKZMFPKIQAIJ-HNNXBMFYSA-O 470.498 3.840 5 40 JHBB biogenic O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8680921 CORBFAXBRCSPIW-INIZCTEOSA-N 472.548 3.758 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9226022 ZRSJQBMCQFICFR-UHFFFAOYSA-N 478.328 3.898 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9703658 PATMEPKTWPXARG-IAGOWNOFSA-N 499.593 3.676 5 40 JHBB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1OC 19929164 BWCGRXFBODRMPJ-UHFFFAOYSA-N 458.496 3.933 5 40 JHBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2O1 46086177 OXRWNTRVSLRMOI-MRXNPFEDSA-N 483.502 3.589 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 101028640 HUEUWSZIHWJRGY-ASDGIDEWSA-N 493.519 3.906 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408559686 BBNSSVOIGQSQMR-CQSZACIVSA-N 467.931 3.605 5 40 JHBB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408656467 SOTIFEWSVKZEJV-UHFFFAOYSA-N 493.859 3.793 5 40 JHBB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409348784 SUPVWQQCEICBFW-UHFFFAOYSA-N 474.930 3.597 5 40 JHBB COc1ccc(OC)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)c1 9661777 UVDVSBSCCWEIOX-UHFFFAOYSA-N 470.507 3.824 5 40 JHBB CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 13626509 GJFQMAPHCKNEHN-MLNNCEHLSA-N 459.502 3.852 5 40 JHBB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619283 NOLCSNTUGXPAOO-UHFFFAOYSA-N 468.477 3.813 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C 408556816 JZZZGDUGTORSQV-QGZVFWFLSA-N 461.540 3.650 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687220 TXPDNISUNAXJJC-JSNMRZPZSA-N 483.908 3.910 5 40 JHBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@H](O)c1ccccc1 8792174 GGVWCRUTWHSYLG-DEOSSOPVSA-N 463.493 3.821 5 40 JHBB biogenic CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 9112430 XHCYAMBHLYYEMA-XMMPIXPASA-N 466.494 3.764 5 40 JHBB Cc1cc(C)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)c(C(=O)N3CCOCC3)sc2n1 12554636 OHOAZVTZGLSSQN-UHFFFAOYSA-N 454.508 3.854 5 40 JHBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 15971802 AFPXBVCNGJEGMX-SEIBCYHCSA-N 457.486 3.979 5 40 JHBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 18066759 VBVWROWRQDQKRV-VABKMULXSA-N 475.457 3.663 5 40 JHBB O=C1[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 29543000 VMJNHXBDENAVBL-HSZRJFAPSA-N 491.573 3.942 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 409161025 SNTUHJOLTRTOMZ-RQZCQDPDSA-N 457.464 3.601 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](C(C)C)N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 12557240 VZIKTNSIXAZEHC-HSZRJFAPSA-N 476.599 3.781 5 40 JHBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 15161791 VPWCWWYJXXHJTR-UHFFFAOYSA-N 481.559 3.777 5 40 JHBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(S(=O)(=O)c2cccs2)CC1 15161988 KNUNNNNCSMJRAT-UHFFFAOYSA-N 455.867 3.839 5 40 JHBB C[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222812160 NESBWXGRAKYIQX-LLVKDONJSA-N 481.943 3.560 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408648688 KBUIZDBPMLHJBW-LSBZLQRGSA-N 483.908 3.910 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)c1 408654155 JWPOZPARCSXHRG-QDGJQWLKSA-N 452.463 3.630 5 40 JHBB COc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409141200 UPMSLKRBISZMOC-HXUWFJFHSA-N 498.565 3.590 5 40 JHBB CCCCCn1/c(=N/C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 9222387 OWYJSOJOJQDBQY-BYNJWEBRSA-N 476.508 3.896 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 106534653 ROWCZIRSIKFAAQ-OLKYXYMISA-N 498.470 3.804 5 40 JHBB C[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222792776 QGPHAMVXDZQXSM-ZDUSSCGKSA-N 493.592 3.532 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c([N+](=O)[O-])c1 6443445 CZZJOQIYZHUCHN-UHFFFAOYSA-N 456.528 3.692 5 40 JHBB CCn1cnc2c1c(=O)n(Cc1cc(=O)oc3ccc4ccccc4c13)c(=O)n2Cc1ccccc1 9545003 MFBNPVURDXICPR-UHFFFAOYSA-N 478.508 3.736 5 40 JHBB CCOc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 12700565 ZCTWJFSKNFFYPL-UHFFFAOYSA-N 476.555 3.609 5 40 JHBB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12747894 CEOPSOIVSRMMSP-UHFFFAOYSA-N 492.966 3.518 5 40 JHBB C[C@H]1Cc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc2N1S(C)(=O)=O 12853422 JUQFESZKWWQVGS-LBPRGKRZSA-N 458.521 3.681 5 40 JHBB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 33643764 IMAHFOIWGHXRQS-QWRGUYRKSA-N 450.469 3.735 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1C 101453817 LVNUUXKWJWPEAG-OLFWJLLRSA-N 482.496 3.517 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408648835 KIEBWQRZXXUYKE-ORYQWCPZSA-N 463.490 3.707 5 40 JHBB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409192988 GWRRIIXTCSBNOK-WOJGMQOQSA-N 458.382 3.887 5 40 JHBB CN(c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1)S(=O)(=O)c1ccccc1 2627549 HAHMZTWWFYLKLL-UHFFFAOYSA-N 456.476 3.865 5 40 JHBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccc(Cl)cc1Cl 3009164 RIDQCODEKNVLRI-UHFFFAOYSA-N 467.290 3.768 5 40 JHBB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] 8831289 YXXRICGMIUOVKN-UHFFFAOYSA-N 459.240 3.774 5 40 JHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 8902104 IFFWJIKHHKTZRP-UHFFFAOYSA-N 484.896 3.821 5 40 JHBB COc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1[N+](=O)[O-] 12556293 GBWWEDCRTAICMH-UHFFFAOYSA-N 470.507 3.555 5 40 JHBB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 89644460 TVTPGELKMBEWRF-UHFFFAOYSA-N 499.501 3.508 5 40 JHBB O=C1[C@H]2[C@@H]3C[C@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 103506442 PAIAUZTXCXMHPH-VWBQFJCQSA-N 453.454 3.923 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1Cl 408665325 DQLPFJWAOIZGLW-NSHDSACASA-N 496.701 3.546 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408679346 DUTDGQUMTYENRB-HZVDNRATSA-N 451.866 3.613 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 409143407 NDJVPIWHALKAJH-BPAFIMBUSA-N 488.614 3.637 5 40 JHBB CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409232567 RGWYTFCUJYZLQE-MHWRWJLKSA-N 493.257 3.691 5 40 JHBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 409351621 XWICCLZDCVKBRW-BKUYFWCQSA-N 496.545 3.723 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 9461255 HFOINYYXZDIJSZ-GOSISDBHSA-N 474.564 3.567 5 40 JHBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc2ncc(Br)cn2n1 13960272 KCJSUIXGCGEBQZ-UHFFFAOYSA-N 455.228 3.840 5 40 JHBB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410948 AIPOLZPZSCNVME-UHFFFAOYSA-N 458.540 3.737 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851528 VODICKRBOLSNKG-ILSIFQBBSA-N 472.526 3.809 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225045893 AXWSRXMDEMHWSY-ZWKOTPCHSA-N 457.527 3.623 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)c1 408644812 HNHMIJNQYYZFQQ-UHFFFAOYSA-N 494.298 3.575 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 409161696 AJFPFFMKAGGUPX-YVLHZVERSA-N 457.464 3.683 5 40 JHBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409233012 JMJVLTZOVFOWML-LDADJPATSA-N 476.445 3.703 5 40 JHBB COCCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 12944383 LZEJDSKDLMOFJI-UHFFFAOYSA-N 480.502 3.665 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 17721337 OHQNDLZFMYZILX-ZLNRFVROSA-N 475.457 3.663 5 40 JHBB Cc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 20492820 JJCGSGBATHTIAR-UHFFFAOYSA-N 453.520 3.757 5 40 JHBB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 21595866 YIKBMLRHEDBIBA-UHFFFAOYSA-N 455.496 3.642 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223240287 NXJBNSGELLVRNQ-INIZCTEOSA-N 475.567 3.516 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2ccccc2C1=O 408664141 NSULHVYUQKDFEC-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408679820 FJBZOHDKRSLKMQ-XAMWDVODSA-N 453.882 3.837 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1N1CCCCC1 9971905 RJVAEMDBJLBMOC-UHFFFAOYSA-N 471.004 3.811 5 40 JHBB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 25211590 WUYGPYBXZIQBEW-UHFFFAOYSA-N 463.893 3.806 5 40 JHBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400288 WTNLUHNTVDCFSW-LBPRGKRZSA-N 488.382 3.505 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565130 HUMDUXPVECUGLB-MRUCXIIBSA-N 459.502 3.842 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] 408586152 ALAATOPSJNHOSD-INIZCTEOSA-N 461.540 3.920 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 408658121 UXUIAPARESRDGP-UHFFFAOYSA-N 481.823 3.924 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408674422 ZKICROFFYVDMCD-MRXNPFEDSA-N 485.452 3.662 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678770 CZKOXAYKXFWNJJ-MJGOQNOKSA-N 481.892 3.830 5 40 JHBB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2096014 ZYUGUAWCSFDFQE-JOCHJYFZSA-N 481.526 3.926 5 40 JHBB biogenic CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 13681608 ZVLKSWDBHGRLPT-KAOXLYBCSA-N 459.502 3.853 5 40 JHBB Nc1nc(NCc2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147625 UJWZXJCHLHPRAF-UHFFFAOYSA-N 453.934 3.555 5 40 JHBB CN1C(=S)S[C@@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 102724453 XCPXSWDILTVGFP-DCXXXQMHSA-N 498.586 3.510 5 40 JHBB Cc1ccc(-c2nnc(NC(=O)CCCN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 224055169 QFMBAIMHBWPQTB-UHFFFAOYSA-N 489.579 3.915 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 224855573 UFSCZEIQNVHIOR-UHFFFAOYSA-N 483.546 3.678 5 40 JHBB Cc1cccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)c1 224863019 QVOLPDKBRNBAMZ-UHFFFAOYSA-N 497.573 3.987 5 40 JHBB COc1cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 408553243 PJCUKOSTFKHHGP-UHFFFAOYSA-N 450.860 3.950 5 40 JHBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)cc1 409164403 IAOIYICHGCYOAB-FQEVSTJZSA-N 482.566 3.890 5 40 JHBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c([N+](=O)[O-])cc1OCc1ccccc1 8404841 RZYCISREDUQGHI-UUYOSTAYSA-N 459.483 3.953 5 40 JHBB O=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9580654 MUIJMRHRMCGIGM-UHFFFAOYSA-N 468.487 3.639 5 40 JHBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 12611775 NWERQNWDUPSROT-UHFFFAOYSA-N 478.505 3.884 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1[N+](=O)[O-] 57313811 MDWZMTDPUQHCGC-UHFFFAOYSA-N 454.464 3.884 5 40 JHBB CN1CCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 101030705 JJDZDTXUKZUUCF-UHFFFAOYSA-N 468.557 3.990 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 103557787 SGGDDFVLESAOHC-RCTAOEEJSA-N 479.492 3.863 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223824772 JOKOMYXYTFPGPN-UHFFFAOYSA-N 477.583 3.768 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408641248 CCHDGYLAXHDUPK-IRXDYDNUSA-N 469.881 3.664 5 40 JHBB CCOC(=O)c1c(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)sc(C(=O)N(CC)CC)c1C 12661103 SRTNAEKFECSAHE-UHFFFAOYSA-N 480.518 3.813 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222811742 AGRPRDGEQLDQNN-UHFFFAOYSA-N 471.535 3.619 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C(C)C[C@H]2C1=O 408642128 DNMMXRDAMHHQHX-BHDDXSALSA-N 475.501 3.955 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408656994 TVHOSLCVGWOMFC-HBGVWJBISA-N 463.490 3.565 5 40 JHBB CCOP(=O)(OCC)[C@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 5351262 PAWQXJOXGCBWOW-NSHDSACASA-N 481.657 3.788 5 40 JHBB Cc1nn(Cc2c(C(=O)Nc3ccc(N4CCCCC4)c4nonc34)noc2C)c(C)c1[N+](=O)[O-] 13961449 ZTWRDKJNRHCCJX-UHFFFAOYSA-N 480.485 3.532 5 40 JHBB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 21124249 MPEKMOBEKQYQFC-ZZXKWVIFSA-N 452.217 3.935 5 40 JHBB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 32935598 SPDHENCJFTVAAA-UHFFFAOYSA-N 479.971 3.586 5 40 JHBB C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470717 YNOSXHKXSOVVGO-MRXNPFEDSA-N 453.930 3.623 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408684454 NJAIHWZLBUXKFE-SLUIBLPYSA-N 453.882 3.837 5 40 JHBB Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409182519 MBPOBRLHOZMCRN-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O 409239198 GWPBVLYMBQZANH-LZYBPNLTSA-N 461.427 3.513 5 40 JHBB Nn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(OC(F)F)cc1 3446816 GJPGFHKSDTXYMT-UHFFFAOYSA-N 461.410 3.511 5 40 JHBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1 6237833 UBDMRCUDVWTBNT-KZVLXBEFSA-N 496.548 3.782 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409037476 NRPQJYGIPGNBSX-WLGHQHAYSA-N 499.548 3.860 5 40 JHBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1 9128992 ZGTMASBEDXBCCC-NVQXNPDNSA-N 470.485 3.988 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20153157 XNLBOODBMSPKEG-UHFFFAOYSA-N 496.545 3.619 5 40 JHBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C)CC1 103627615 XUIICQSQONDDNR-NFFVHWSESA-N 464.566 3.787 5 40 JHBB CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223265889 CDAVUMXXPKFBAB-CQSZACIVSA-N 487.629 3.686 5 40 JHBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223702054 ZNIDLKVNOTUHIT-SFTDATJTSA-N 452.492 3.785 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1 409153431 CYEIWNPQUYISQM-YWZLYKJASA-N 482.566 3.810 5 40 JHBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 21595820 VPGAVBMGWSLBQY-UHFFFAOYSA-N 494.982 3.797 5 40 JHBB Cc1ccc([C@](O)(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C(F)(F)F)o1 22406342 WQWWQBAXMYBOMA-GOSISDBHSA-N 477.461 3.533 5 40 JHBB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 96892225 CGTNAPPUTZNHHG-MHWRWJLKSA-N 456.252 3.829 5 40 JHBB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)C3)c1C 3009550 GXYCUUKYQQRXKR-UHFFFAOYSA-N 460.899 3.731 5 40 JHBB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(Br)ccc21 8920438 XEYRVXKOAZSNKE-OAQYLSRUSA-N 477.311 3.973 5 40 JHBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 9226699 SIJHAZSXSBZBOF-QGZVFWFLSA-N 469.519 3.822 5 40 JHBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 10296366 PJXCFARANYNMDO-MRXNPFEDSA-N 457.237 3.745 5 40 JHBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(OC(F)(F)F)c3)n2)c1 15674885 NXJDNYIEGHUXBK-WBVHZDCISA-N 450.373 3.851 5 40 JHBB biogenic,in-vitro O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037413 WFAKJLUYOGNQNN-LIONHTAISA-N 479.492 3.989 5 40 JHBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 36832250 MFJSDIQGVPNZOO-UHFFFAOYSA-N 483.366 3.608 5 40 JHBB CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1 53045657 XYYIYKRFSGVWQQ-UHFFFAOYSA-N 469.589 3.523 5 40 JHBB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 139085437 BTBAGUNWQYFJCN-UHFFFAOYSA-N 475.306 3.556 5 40 JHBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H]([N+](=O)[O-])[C@H]3C=CC=NN23)cc1 253487749 PKBKFBIRMARUGK-ZRNYENFQSA-N 456.296 3.678 5 40 JHBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408564936 GOILNJUYHLMTIB-HKJQZYRSSA-N 458.312 3.512 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408646312 IQXIFVZGTFDABB-DQRQGCJXSA-N 475.501 3.563 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 409126794 GBSOIRSNIJSBHA-OAHLLOKOSA-N 468.539 3.736 5 40 JHBB COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 8837583 DVLWJYITFUOTEC-HSZRJFAPSA-N 456.458 3.942 5 40 JHBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O 9128842 KJUUQEADKHGSHK-PGRDOPGGSA-N 456.886 3.679 5 40 JHBB CN(C)CCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 13124345 TWRPZXXICFBNEP-OQKWZONESA-N 462.506 3.694 5 40 JHBB COc1cc(C(=S)N2CCOCC2)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 18173224 KSUHWBHPLJOGFB-UHFFFAOYSA-N 481.324 3.593 5 40 JHBB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 22997534 IIGMIABWWVDKQK-BJMVGYQFSA-N 482.562 3.982 5 40 JHBB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 34854095 AUCYHHXZRNXHGZ-UHFFFAOYSA-N 484.862 3.972 5 40 JHBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 34890535 PVNFQJNSRMQZIR-UHFFFAOYSA-N 471.491 3.812 5 40 JHBB CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 102799353 GJFQMAPHCKNEHN-MBDNFAEBSA-N 459.502 3.852 5 40 JHBB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 224935643 NUALXKLXCHFPQB-UHFFFAOYSA-N 490.365 3.643 5 40 JHBB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 9447248 RPCVSAKRKLJIOA-UHFFFAOYSA-N 495.513 3.849 5 40 JHBB Cc1cnc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 11480779 SHRNSRXMMWUVMX-GOSISDBHSA-N 471.267 3.993 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1Cl 223525248 DBDNZOIUANFPJJ-UHFFFAOYSA-N 489.937 3.639 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223634595 MPRXOIOVHABYPH-QFIPXVFZSA-N 485.562 3.796 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 229610426 RDBXRFOLKKAKLB-KIHHCIJBSA-N 465.465 3.993 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 409143411 NDJVPIWHALKAJH-CVAIRZPRSA-N 488.614 3.637 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409368411 UJPLXQBYUDBONQ-MRCZTLKWSA-N 497.960 3.668 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 9355732 CLWIKYFNHWADQV-FQEVSTJZSA-N 455.492 3.548 5 40 JHBB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1 22706029 AFDOGHSOTCKRNT-UHFFFAOYSA-N 469.889 3.903 5 40 JHBB CCOc1ccc(CCC2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 40024197 CPXVVIQBEHKXSF-UHFFFAOYSA-N 453.495 3.773 5 40 JHBB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223565420 PLORGGKHKRZKPK-NRFANRHFSA-N 485.562 3.796 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260947454 VSDDSBUHRRMKHZ-IERDGZPVSA-N 459.568 3.814 5 40 JHBB CCOc1ccc(Br)cc1[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408567641 QYAVBWJZJLUWKP-ZJDLJICXSA-N 472.339 3.902 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccccc1 409125908 GDKFGBVDZKBCOK-HNNXBMFYSA-N 468.539 3.736 5 40 JHBB CCOc1c(I)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 409373561 VRIKORPEMIUUEA-UHFFFAOYSA-N 485.230 3.646 5 40 JHBB Cn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 873173 ICQXXYJJQRMECR-UHFFFAOYSA-N 450.883 3.859 5 40 JHBB COC(=O)c1sc2ncn3nc(-c4cccc(Cn5cc(Cl)c([N+](=O)[O-])n5)c4)nc3c2c1C 2805028 BHLUGUNEZAKEGT-UHFFFAOYSA-N 483.897 3.907 5 40 JHBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1[N+](=O)[O-] 8927784 IOZZUISXKKRHNX-DEOSSOPVSA-N 450.422 3.750 5 40 JHBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 9404709 VYSKXVGAZABUSY-ZIAGYGMSSA-N 495.579 3.752 5 40 JHBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C 9955254 RITKGHUQASFFDE-UHFFFAOYSA-N 473.441 3.808 5 40 JHBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 11277202 PEGDWLPQYSSRDV-UHFFFAOYSA-N 466.396 3.658 5 40 JHBB 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Cc1cc(=O)c(C(=O)Nc2ccc(Sc3nncs3)cc2)nn1-c1ccccc1[N+](=O)[O-] 70012763 XNOPGYLNAZGNLR-UHFFFAOYSA-N 466.504 3.704 5 40 JHBB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 89780754 XTKXGIYMOFAWCS-UHFFFAOYSA-N 495.941 3.608 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cccs1 100820984 KNGVTHJBVWVSNY-OLFWJLLRSA-N 498.564 3.871 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 103557779 SGGDDFVLESAOHC-LIONHTAISA-N 479.492 3.863 5 40 JHBB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(ccc3ccccc32)oc1=O 947843 WKHOVZKMJQYSHR-UHFFFAOYSA-N 472.482 3.789 5 40 JHBB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 6878399 RCKMMJWVKXWQKX-UHFFFAOYSA-N 473.511 3.533 5 40 JHBB COCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc(C(=O)NC3CCCC3)ccc2c1=O 12415121 UPYHGSPONGLQCO-UHFFFAOYSA-N 482.562 3.916 5 40 JHBB CN(Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12517421 WTJBVTOYJAXRQQ-UHFFFAOYSA-N 460.339 3.559 5 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O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)ccc1Cl 4287184 MUPDRFKGMXBSQZ-UHFFFAOYSA-N 467.334 3.961 5 40 JHBB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 6282555 ZTADSUXHBHKAMF-UHFFFAOYSA-N 485.543 3.898 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2cccc(Br)c2)n[nH]1 9010162 WDUOIDSLQZFPRO-UHFFFAOYSA-N 464.301 3.882 5 40 JHBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])ccc1Cl 9363703 MXQMWIKMLYOSMU-UHFFFAOYSA-N 468.856 3.698 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc(Br)cc1 9601373 MAGLQCZLRVIXAE-GOSISDBHSA-N 463.284 3.538 5 40 JHBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 9847029 XLEUDIZLZNZUJF-UHFFFAOYSA-N 489.481 3.585 5 40 JHBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619098 RFJAOAGOBFWNGY-UHFFFAOYSA-N 457.494 3.938 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)cc1 39995754 BHIJAGDPIAXNOV-KRWDZBQOSA-N 490.534 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O=C(c1ccncc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13591796 UAADHONVUAJZAA-QTZVNIFKSA-N 454.486 3.898 5 40 JHBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14271407 OHUYIGIMMASWRE-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB CC(C)Sc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1 225011178 ZSAYBPVWFVBBDN-UHFFFAOYSA-N 493.592 3.781 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408660037 WHDJSLYSFLPUFT-LWEXMRFPSA-N 499.523 3.667 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 9583108 PZLFBZRNMYEEOP-IBGZPJMESA-N 468.539 3.581 5 40 JHBB COC[C@H](C)n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc2c1=O 13134821 BYHSGIIQSPCOCH-ZDUSSCGKSA-N 453.480 3.854 5 40 JHBB COc1ccc(N(CC(=O)N2C[C@H](C)C[C@@H](C)C2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13141672 AUJDYLPFJIZIRD-HZPDHXFCSA-N 495.985 3.957 5 40 JHBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)CC1 107742870 BOLJJFMSTUFBBM-DEDYPNTBSA-N 468.535 3.739 5 40 JHBB COc1ccc(Br)cc1[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408565146 HZANETTVDISQCT-GZMOKQHVSA-N 458.312 3.512 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565621 LOTABWZHCNNEPS-LNXUECGXSA-N 459.502 3.796 5 40 JHBB CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409173153 LCSFXQRCYXGELH-LZYBPNLTSA-N 476.283 3.858 5 40 JHBB CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 786854 KHPVPQRNOGWZEL-UHFFFAOYSA-N 456.528 3.866 5 40 JHBB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1 2967835 GELMGNUVZMWMQV-FQEVSTJZSA-N 489.513 3.786 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3428005 PTHIARAUZJBZBJ-UHFFFAOYSA-N 459.911 3.548 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NC[C@@H]4CCCO4)nc2c31 8878217 NUZSLOLCHMRRGU-AWEZNQCLSA-N 457.486 3.518 5 40 JHBB biogenic Cc1ccc(C)c(-n2nnnc2Sc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 9119678 YFWDGWLZXVUYAJ-UHFFFAOYSA-N 474.568 3.513 5 40 JHBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9662417 PAKJBZVOPNOVSH-LBPRGKRZSA-N 485.415 3.962 5 40 JHBB O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 12946412 QPTLBAXNYGFGCH-LQWHRVPQSA-N 475.379 3.959 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13539882 VYAITNNQJYRZKQ-XOEOCAAJSA-N 472.526 3.809 5 40 JHBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl 20154247 RMRMJXPOWMHXOO-UHFFFAOYSA-N 486.697 3.515 5 40 JHBB COc1cc(OC)c(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1OC 20492246 IQMJQNLEHKIRHV-UHFFFAOYSA-N 450.407 3.924 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc([N+](=O)[O-])ccc21 9393591 FYNRXWSWDNJSII-MOENWIOGSA-N 488.591 3.793 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccco3)[C@@H]2C1=O 15998867 SIVAFGOCDXMPMM-AFXVXQJMSA-N 469.453 3.895 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 20451438 HRGCZNCNMUAJDU-UHFFFAOYSA-N 494.529 3.556 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccco1 102921446 JSDFONGTODYTJO-HPNDGRJYSA-N 460.490 3.665 5 40 JHBB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)O 106739015 KJXRMNQFIJUPAD-YVLHZVERSA-N 458.448 3.693 5 40 JHBB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224970281 DELNEVAQITWQSI-UHFFFAOYSA-N 467.547 3.928 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408565015 HDIWZAAAUUPMLG-GJECAEJISA-N 477.492 3.935 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C)C=CC[C@H]2C1=O 408653929 QDDTUOPIRIARMB-ZJQURUERSA-N 475.501 3.811 5 40 JHBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408668515 LXEAJYTYFHIGKD-GOSISDBHSA-N 453.495 3.563 5 40 JHBB COc1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409154856 KSRZTDMUYSBXEP-IBGZPJMESA-N 484.538 3.579 5 40 JHBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409178505 IYGQLHIABSBKNH-UHFFFAOYSA-N 453.472 3.917 5 40 JHBB COc1ccc(Cc2cnc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s2)cc1 9090426 PRESEZNYBHLJGG-UHFFFAOYSA-N 454.508 3.740 5 40 JHBB Cc1cc(Br)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 3244131 MQVHSYISHCUQKB-UHFFFAOYSA-N 462.050 3.817 5 40 JHBB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907796 BYTXDEFECSXQBW-UHFFFAOYSA-N 482.537 3.851 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 139052709 PAEKZNVOVQUWEX-HOTGVXAUSA-N 484.852 3.665 5 40 JHBB Cc1cc(C)nc(SCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)n1 12494517 VXXFVLQIAIGNPI-AWEZNQCLSA-N 473.584 3.850 5 40 JHBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8831529 LBPNXOQQWTUEKH-UHFFFAOYSA-N 467.536 3.813 5 40 JHBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833031 NIEJUXLJTRWXTK-UHFFFAOYSA-N 479.356 3.629 5 40 JHBB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 13137109 VCICNQGFWFNXLA-UHFFFAOYSA-N 455.492 3.989 5 40 JHBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1 15391450 WMNVEONLZFDVMR-UHFFFAOYSA-N 496.910 3.913 5 40 JHBB COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccc2c(c1)OCO2 16753668 KODBLLTUPMHWQP-UHFFFAOYSA-N 461.367 3.626 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)OC 33855061 FCTUOJLVFKPFPW-ODLFYWEKSA-N 472.475 3.782 5 40 JHBB Cc1noc(C2CCN(c3ccc(S(=O)(=O)NC4CCC(C)CC4)cc3[N+](=O)[O-])CC2)n1 40156381 SMQODBBILOVDOJ-UHFFFAOYSA-N 463.560 3.527 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102753760 LVEVNSILPXFQHJ-TZRRMPRUSA-N 489.484 3.972 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 9601275 PHARTZSZAGLNDT-UHFFFAOYSA-N 473.482 3.885 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 15971961 SDLRNEKMDVIMAG-HZLPDVBGSA-N 454.486 3.898 5 40 JHBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400296 GEAMIOXMYIEXAL-CQSZACIVSA-N 488.382 3.505 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 102667005 WFAKJLUYOGNQNN-ROHNOIKCSA-N 479.492 3.989 5 40 JHBB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641465 LRXQLHNRZXMOOJ-QGZVFWFLSA-N 469.494 3.942 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408677515 CADXUQJQOVBZGK-FEBSWUBLSA-N 453.882 3.837 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 408705523 HRXGACUSENUEAZ-UHFFFAOYSA-N 477.520 3.513 5 40 JHBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc3C2=O)c([N+](=O)[O-])c1 409179119 PGMIFIWQCCYERG-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB CCOCCCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccncc1 9509514 JTNWCPKUSWKNTQ-UHFFFAOYSA-N 456.528 3.714 5 40 JHBB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 21841610 ZUTYUJFYBDXNCU-ZDUSSCGKSA-N 466.416 3.795 5 40 JHBB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 25451547 IPEASDZRVFRFTR-UHFFFAOYSA-N 476.455 3.698 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(OC)c1 408563117 ITWLOSQWJIIGCQ-UHFFFAOYSA-N 471.491 3.974 5 40 JHBB Cc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 2660256 XQRLJHNEJXHSPL-NSHDSACASA-N 487.818 3.876 5 40 JHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(Cl)c1 3144208 BWBLAXAWDFOXNX-UHFFFAOYSA-N 492.787 3.758 5 40 JHBB CCOC(=O)CN(C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2)c1cccc([N+](=O)[O-])c1 6546401 XRRMYLYBDXYLEH-UHFFFAOYSA-N 495.561 3.833 5 40 JHBB COc1ccc(Cc2nc3c(n2C(C)=O)SC(c2cccc([N+](=O)[O-])c2)=NN3C(C)=O)cc1 16807122 SFFGDEUBRRTMOU-UHFFFAOYSA-N 465.491 3.871 5 40 JHBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(=O)CCSc3ccccc3)cc2[N+](=O)[O-])C1 25395916 QCLFYBIZDBNYBI-QGZVFWFLSA-N 485.562 3.813 5 40 JHBB COC(=O)c1occc1COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32848729 GAVRRUIDDFHXIU-UHFFFAOYSA-N 456.373 3.953 5 40 JHBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 57222664 KLBLBYJVEAKAQW-UHFFFAOYSA-N 474.517 3.956 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1OCC 101153425 NIGROIXRIPAWPU-OLFWJLLRSA-N 488.544 3.855 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C 222541727 QCMJMKMUOIACNE-UHFFFAOYSA-N 461.540 3.658 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408664517 RDQUJHHITXJDTA-UHFFFAOYSA-N 485.493 3.761 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2Cl)n1C 409345619 MKLIGOICDOZLAN-CYBMUJFWSA-N 488.957 3.907 5 40 JHBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 2658624 SKWJOUDTXBBYNF-UHFFFAOYSA-N 470.437 3.578 5 40 JHBB CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 2687538 CTDJSVAWALBKLW-UHFFFAOYSA-N 492.557 3.961 5 40 JHBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)c1 8997048 SGZQJVZMZPYKOW-UHFFFAOYSA-N 479.474 3.854 5 40 JHBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O 9434013 OXRUBTNLKHVWQU-PGRDOPGGSA-N 456.886 3.679 5 40 JHBB Cc1nn(C)c(Cl)c1C=C(C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] 12867318 WDVCFZVYMQTDMC-UHFFFAOYSA-N 484.856 3.859 5 40 JHBB CCN(CC)C(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 28294139 HFXMXXHKQUVZGZ-LBPRGKRZSA-N 472.782 3.638 5 40 JHBB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 40149898 HZKPKMJRQOFNEG-UHFFFAOYSA-N 464.135 3.941 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Nc1ccc(OCCO)nc1 58026282 WYESPWYAUNTVEQ-UHFFFAOYSA-N 464.887 3.559 5 40 JHBB CCCn1/c(=N\C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820827 WMVCJGCVYFAWLV-MEFGMAGPSA-N 464.909 3.630 5 40 JHBB Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409180752 VDORIXDYTKGDOJ-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cc([N+](=O)[O-])cnc1C 9244420 NQKOFHOBAMANEH-UHFFFAOYSA-N 459.436 3.592 5 40 JHBB COCCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 13268520 ONGLCWDSEXIEAX-IBGZPJMESA-N 489.868 3.681 5 40 JHBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223442539 DSNFKGWDZWMBFP-LJQANCHMSA-N 475.517 3.843 5 40 JHBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223734302 AJICOEPFYXBEDL-RUZDIDTESA-N 475.545 3.922 5 40 JHBB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408654577 GCAVVLKHBRVLCM-MRXNPFEDSA-N 485.452 3.662 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408655855 RYLDUGRGBDIXHN-CALCHBBNSA-N 469.881 3.664 5 40 JHBB CC[C@H](Sc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)NCCCOC 2968969 TUEBNNPDDPSSJC-IBGZPJMESA-N 480.550 3.876 5 40 JHBB O=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 3223971 CIJHOPNMBGJBCI-UHFFFAOYSA-N 478.392 3.585 5 40 JHBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(C3CCCCC3)cc2n(C)c1=O 8738749 HSPJGLSISNVIRV-UHFFFAOYSA-N 461.316 3.882 5 40 JHBB Nc1ccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] 8746921 FJRNQSBSQOGYQE-LJQANCHMSA-N 468.853 3.958 5 40 JHBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc2ccc(Cl)cc2n1CCO 9587851 LFOOKZVQJTZZIB-UHFFFAOYSA-N 472.807 3.764 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1ccccc1OC(F)F 9588861 MNWFIZJUUKCLRA-SFHVURJKSA-N 499.854 3.786 5 40 JHBB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)c([N+](=O)[O-])c1 12660218 QMBDRBIALAPNSY-ZHRRBRCNSA-N 487.468 3.811 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 35808814 SDLRNEKMDVIMAG-ONJIFJTESA-N 454.486 3.898 5 40 JHBB CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103459603 QNPDOFCZLATMOX-YSFYHYPLSA-N 459.502 3.852 5 40 JHBB COc1cccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408640684 BMHBNODVIVGDMV-UHFFFAOYSA-N 493.859 3.793 5 40 JHBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)c1 8903423 CUJRTRZQNQVVQT-UHFFFAOYSA-N 490.516 3.827 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9464123 KJHBFGUANJVGNS-UHFFFAOYSA-N 482.371 3.918 5 40 JHBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 9991310 OLNYFCPRAZZMQJ-UHFFFAOYSA-N 470.478 3.508 5 40 JHBB O=C(CNC(=O)c1ccc(Br)o1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10000154 CNZLKAMEYCCKAA-FQEVSTJZSA-N 487.262 3.848 5 40 JHBB Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1C 224822589 YWTNTZLSXDEBPV-UHFFFAOYSA-N 497.573 3.987 5 40 JHBB COc1cc(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC 10728456 NRIGQHWQQCENBC-UHFFFAOYSA-N 458.467 3.651 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](CN3CCOCC3)c3ccccc3)c([N+](=O)[O-])c2)C1 12644954 PUROQCBPVVYMFW-XXBNENTESA-N 488.610 3.501 5 40 JHBB CCOc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 13669596 XEQTUUUASDYWKX-UHFFFAOYSA-N 469.519 3.505 5 40 JHBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 32125035 FQLIRFQQCJCTNU-YVLHZVERSA-N 461.477 3.824 5 40 JHBB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O 32911928 HRPQNTOTSNBTPH-GOSISDBHSA-N 477.521 3.536 5 40 JHBB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C3)C2 100994023 YBSIRQJZJRSEAT-RKOMNEFPSA-N 483.443 3.570 5 40 JHBB Cc1ccc2[nH]c3c(cc(NCCN4CCN(C)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101018223 OHNLBRUOWBFGAC-UHFFFAOYSA-N 468.557 3.909 5 40 JHBB COc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC 9130806 QYAOYYOWWKBOKI-XBXARRHUSA-N 465.428 3.993 5 40 JHBB COc1ccc(-c2csc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1 13946135 UZBSWNDCQUCTAG-UHFFFAOYSA-N 499.574 3.690 5 40 JHBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15139231 JZUCTOHSORCEJK-UHFFFAOYSA-N 481.431 3.967 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccco3)[C@@H]2C1=O 107177202 SPBFLCXHVLOVJG-WBADGQHESA-N 469.453 3.895 5 40 JHBB COC(=O)c1cn(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc12 222576517 JNKHDRDKFHVRTM-UHFFFAOYSA-N 493.497 3.872 5 40 JHBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223321975 DLJDTUMODWNNKQ-QGZVFWFLSA-N 484.336 3.842 5 40 JHBB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2)cc1 3487036 LLOGBSPHWVYFQF-UHFFFAOYSA-N 498.513 3.952 5 40 JHBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 9064658 AWNADHGFHHPWDD-UHFFFAOYSA-N 459.484 3.629 5 40 JHBB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)NC2CCCC2)c1 9492903 BEHIAOXOCQLZKL-MRXNPFEDSA-N 489.550 3.617 5 40 JHBB O=[N+]([O-])c1cccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298162 SWTFNAWYKDRIPY-INIZCTEOSA-N 457.237 3.745 5 40 JHBB O=C(c1cccc(I)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16399200 MHCUFNKNWRHRDB-UHFFFAOYSA-N 471.682 3.815 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20518799 RRANEJOVMWVIMH-IYXIZZNPSA-N 490.516 3.948 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537292 BUIFLWNBHLJPOV-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(Br)cc1Br 62679065 QTZMKFSDUJOZEL-UHFFFAOYSA-N 498.175 3.881 5 40 JHBB CCCCn1/c(=N/C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102920195 VOOHXSPQNFJBEC-JJKYIXSRSA-N 494.498 3.954 5 40 JHBB Cc1c(N(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224863340 CPTQKRLDQIAOKX-UHFFFAOYSA-N 497.573 3.816 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 408560955 GCAIJDBNQXZCMG-AWEZNQCLSA-N 467.931 3.605 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3356288 IOOAIJGCFLTALF-UHFFFAOYSA-N 474.823 3.785 5 40 JHBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccccc1F 12558635 RJMIDENMZAJPER-LJQANCHMSA-N 461.519 3.746 5 40 JHBB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503876 OZRPZKVUSCFQMD-HSZRJFAPSA-N 463.542 3.617 5 40 JHBB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102698563 VBVWROWRQDQKRV-XPWALMASSA-N 475.457 3.663 5 40 JHBB COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409024574 FAIDDZKUPXNSQJ-UHFFFAOYSA-N 491.566 3.646 5 40 JHBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccco2)cc(OC)c1OC 2442609 KWECNBKSCKVTCC-UHFFFAOYSA-N 473.485 3.583 5 40 JHBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 10296682 PAHJYPYIARFWFD-INIZCTEOSA-N 457.237 3.745 5 40 JHBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 14274384 IQHQDINIJUXXAN-UHFFFAOYSA-N 487.607 3.751 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 16014481 RCXLYXZMFSBMSQ-UHFFFAOYSA-N 466.523 3.753 5 40 JHBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223601258 HZKKISFARQJDQV-FQEVSTJZSA-N 457.527 3.706 5 40 JHBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408565025 AZYVKFOWRQOKGI-JSAFGSNCSA-N 474.473 3.742 5 40 JHBB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1cccc([N+](=O)[O-])c1 409136876 YTOLINZOROEMAZ-UHFFFAOYSA-N 486.579 3.643 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9703657 PATMEPKTWPXARG-IRXDYDNUSA-N 499.593 3.676 5 40 JHBB Cc1onc(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1Cn1cc([N+](=O)[O-])cn1 22712211 UPXKLXDOJDGEJT-UHFFFAOYSA-N 476.280 3.940 5 40 JHBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCC[C@H]3C(=O)Nc4ccccc43)c([N+](=O)[O-])c2)C1 23258356 ZROUUZNJWDPZTO-JTDSTZFVSA-N 472.567 3.799 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851766 BYOKQPLVILKYTH-APDHKMKFSA-N 472.526 3.809 5 40 JHBB CCCCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2091646 ZSRQHBNJOLHOFB-OZXSUGGESA-N 490.560 3.968 5 40 JHBB biogenic O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1cccc([N+](=O)[O-])c1 3381864 TVMLZSBANPJASQ-UHFFFAOYSA-N 462.336 3.987 5 40 JHBB COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 4156613 UVAAQNVLQXMXLV-UHFFFAOYSA-N 466.855 3.831 5 40 JHBB COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N2CCCC2)cc1 8687827 ZTSTZMCJXAIHKT-HSZRJFAPSA-N 474.583 3.637 5 40 JHBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c1 9448139 NYFPBKFQGJVFRA-ATIYNZHBSA-N 470.485 3.906 5 40 JHBB O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Br)cc2)c1 2711838 QVUMGJFRVVYJBE-UHFFFAOYSA-N 456.343 3.651 5 40 JHBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2[N+](=O)[O-])C1 9662695 GMEYOLXIKATXIS-QGZVFWFLSA-N 472.567 3.868 5 40 JHBB COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504938 XVPMGUDCJALDCW-AREMUKBSSA-N 499.575 3.858 5 40 JHBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 22520070 LVORXDMZBFVFNV-UHFFFAOYSA-N 491.547 3.655 5 40 JHBB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 22997634 OHTSYQDCJPHFOE-BJMVGYQFSA-N 482.562 3.982 5 40 JHBB O=C(CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 26223718 SFEYPVXCGFBPGO-UHFFFAOYSA-N 457.840 3.813 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)CC(C)C 103628811 JIUQYKUFSHSBGX-VYIQYICTSA-N 450.539 3.805 5 40 JHBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCN21 217716980 MMQCHVJDLRHDRN-TTZMFTMZSA-N 484.512 3.907 5 40 JHBB CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222810348 ZLNSBXFKQRFZLZ-HXUWFJFHSA-N 471.535 3.618 5 40 JHBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1 2254962 OERNLGRGZZYBCG-GOSISDBHSA-N 469.501 3.639 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 2493398 FLMCFBGPCOBTDR-UHFFFAOYSA-N 456.457 3.798 5 40 JHBB COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 10338905 POVRTWPDNQQTLZ-UHFFFAOYSA-N 455.920 3.750 5 40 JHBB COC(=O)c1c(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nc2ccccc2c1C 17661684 FIRLSDGXDLQNNE-UHFFFAOYSA-N 485.518 3.602 5 40 JHBB Cc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 21763301 CMVIYXRZGUUAOQ-UHFFFAOYSA-N 466.416 3.715 5 40 JHBB CCOc1cc(C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c([N+](=O)[O-])cc1OC 78724202 BFHUCFWRJQTCNM-UHFFFAOYSA-N 487.944 3.651 5 40 JHBB COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c([N+](=O)[O-])c1 95929369 LBEDSBDDUPMFBF-JOCHJYFZSA-N 459.462 3.565 5 40 JHBB CCc1ccc(CC)c(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224888051 OTOKJFREVQMDSD-UHFFFAOYSA-N 477.583 3.591 5 40 JHBB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 247331563 PAIAUZTXCXMHPH-VCVMTHIISA-N 453.454 3.923 5 40 JHBB CC[C@@H](Sc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583165 LAPRCPLDUYIMGA-SCLBCKFNSA-N 486.529 3.863 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1SCc1cc(C)no1 16542348 YTEPKLHEZZYTHB-UHFFFAOYSA-N 457.464 3.988 5 40 JHBB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 62592022 KDYNMYNQVLAZDH-UHFFFAOYSA-N 475.431 3.544 5 40 JHBB CCCn1/c(=N\C(=O)c2cccc(C(F)(F)F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176360 CZWRNTPCKWMDEL-OFWBYEQRSA-N 498.461 3.996 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734115 OHQNDLZFMYZILX-DNVJHFABSA-N 475.457 3.663 5 40 JHBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 408669674 XZZABWVUKGGMKO-UHFFFAOYSA-N 464.272 3.648 5 40 JHBB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409242001 ZTEYADMLGNKWGE-MHWRWJLKSA-N 493.257 3.691 5 40 JHBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092718 BRYLPBDMTRHMQC-INIZCTEOSA-N 481.526 3.844 5 40 JHBB biogenic Cn1c(Sc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])nnc1C(F)(F)F 9127841 FUPYULFRPAULRK-UHFFFAOYSA-N 459.431 3.694 5 40 JHBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9128369 RJUQVFSBDKZGNT-UHFFFAOYSA-N 460.290 3.981 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2cc([N+](=O)[O-])ccc21 9393594 KSNVCUIHYCYLTB-MOENWIOGSA-N 488.591 3.935 5 40 JHBB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503877 OZRPZKVUSCFQMD-QHCPKHFHSA-N 463.542 3.617 5 40 JHBB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 16237783 PDQIAAWKXYVEIZ-UHFFFAOYSA-N 452.492 3.633 5 40 JHBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32115402 GYTQGEFZIUGTRQ-UHFFFAOYSA-N 452.492 3.818 5 40 JHBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 408638866 UHPKKQCKZQQPFU-UHFFFAOYSA-N 487.538 3.554 5 40 JHBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)c1 409060817 YGIVDSMBBWFKPL-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccccc2)cc(OC)c1OC 2323752 HAQUTUYTCCRBHT-UHFFFAOYSA-N 483.524 3.990 5 40 JHBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2639461 URLZTIGEJACVTG-UHFFFAOYSA-N 459.487 3.891 5 40 JHBB O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)[N+](=O)[O-])c1ccccc1 4804566 RIIMLTMEEZRGCN-UHFFFAOYSA-N 463.442 3.573 5 40 JHBB O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 8449388 MNRHVZFREKDFAW-UHFFFAOYSA-N 494.372 3.703 5 40 JHBB NS(=O)(=O)c1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 8747579 GZJMGJRGRUOQNW-UHFFFAOYSA-N 452.286 3.877 5 40 JHBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 8901953 CJQZBUBOKDKAEM-UHFFFAOYSA-N 474.517 3.883 5 40 JHBB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 9667740 NZHYUCUPTGFTTO-UHFFFAOYSA-N 451.810 3.672 5 40 JHBB Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)ccc1[N+](=O)[O-] 12856015 LZDFHWVLHWFQPT-UHFFFAOYSA-N 493.545 3.585 5 40 JHBB COc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 22429753 FTYKQPQYIIRDRY-QGZVFWFLSA-N 499.545 3.685 5 40 JHBB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(-n4ncc5ccc([N+](=O)[O-])cc54)c23)C1 23424447 ORZMXGIVLXYEPB-AWEZNQCLSA-N 464.551 3.895 5 40 JHBB Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] 57727951 DENLEKOFJAVKQX-UHFFFAOYSA-N 457.474 3.819 5 40 JHBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225158976 OXSYQHFMSFZODX-HXUWFJFHSA-N 457.527 3.624 5 40 JHBB CC[C@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 260808229 HHCUXYNCBRYBJJ-OALUTQOASA-N 493.582 3.733 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 408645318 UPZYUHLLEHUBAI-ZDUSSCGKSA-N 462.300 3.974 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408687610 URTRSNRRMHNMOW-OALUTQOASA-N 484.306 3.866 5 40 JHBB Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(Br)cc1[N+](=O)[O-] 777927 GCYOWFYHKYCAKB-UHFFFAOYSA-N 486.063 3.969 5 40 JHBB COc1cc2c(=O)[nH]c3c(C(=O)NC4CCCCC4)c4nc5ccccc5nc4n3c2cc1OC 6143829 XWVOUEXCDTWJMU-UHFFFAOYSA-N 471.517 3.957 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 9108606 CGCRXLSKRHHLNI-CBPXPLCBSA-N 459.502 3.908 5 40 JHBB COc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 17258077 WAKWGCLELITBPG-GFCCVEGCSA-N 464.858 3.531 5 40 JHBB CCOc1ccc([C@@H](NS(=O)(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C(C)C)cc1OCC 21974883 RZNWJCGXLOUSQO-FQEVSTJZSA-N 468.576 3.522 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1c(F)cccc1F 101087586 FVGLKXYUCNVHSV-WMMMYUQOSA-N 494.498 3.810 5 40 JHBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223702111 ZNIDLKVNOTUHIT-RTWAWAEBSA-N 452.492 3.785 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408683832 MHOOTIMJWUWAQR-IQGAEYHTSA-N 451.866 3.613 5 40 JHBB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 9335484 UKWREJLDRIOWPT-UHFFFAOYSA-N 458.423 3.574 5 40 JHBB COc1cc(NC(=O)CSc2ncc(C(=O)O)n2-c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] 9490928 MOCQCLKRWFSODN-UHFFFAOYSA-N 460.443 3.666 5 40 JHBB COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCCCCC2)cc1 12491588 QLLPLCKTEKUGHB-RPWUZVMVSA-N 470.586 3.582 5 40 JHBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 13148848 ZDVGHDNOOXTZHK-UHFFFAOYSA-N 479.832 3.844 5 40 JHBB CCc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 16162144 ZIGBSPVFVAUBHB-UHFFFAOYSA-N 472.505 3.980 5 40 JHBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224149090 YGQLUTFAMYLTPE-OAQYLSRUSA-N 469.538 3.848 5 40 JHBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224708693 HPJQJIZFAGXVMM-HNNXBMFYSA-N 462.344 3.842 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1 408639988 HTZBHVZIAQTNFY-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 408657490 UIRAUMUHGYFQJA-MRXNPFEDSA-N 457.442 3.828 5 40 JHBB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1 2720067 YBNAMQMCJNRJMB-UHFFFAOYSA-N 470.532 3.528 5 40 JHBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 4008960 HRIZMLSRXBNFRM-ZVLVQXPOSA-N 480.860 3.599 5 40 JHBB CCOC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 6599862 LTKHFSBBCUZHOS-UHFFFAOYSA-N 483.502 3.606 5 40 JHBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 13109958 JQXCUOLFLXHQTJ-UHFFFAOYSA-N 481.427 3.823 5 40 JHBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 14274435 RZWVXVSFXYLSJG-UHFFFAOYSA-N 486.550 3.515 5 40 JHBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 32109531 KQXLTWCSKYEUOK-XKZIYDEJSA-N 487.493 3.983 5 40 JHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 57476945 OVCBJJMEJFYPHS-UHFFFAOYSA-N 457.490 3.978 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(CCc3ccccc3)c2=N)cc1 100707393 FCMCTNAOUFUMTF-UHFFFAOYSA-N 484.581 3.821 5 40 JHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223031317 GSYBYHHAKGNJRX-RTWAWAEBSA-N 454.508 3.877 5 40 JHBB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408645252 UNKBZKFPUNGUNM-ZDUSSCGKSA-N 462.300 3.920 5 40 JHBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccccc1)OCc1ccccc1 408737801 OWWCKJPGVRQKST-JOCHJYFZSA-N 462.458 3.858 5 40 JHBB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 8694152 SCTGYDUKKWCMBR-UHFFFAOYSA-N 456.528 3.961 5 40 JHBB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc(N)c12 9749964 QEOFHVQGSRXLGK-UHFFFAOYSA-N 483.481 3.546 5 40 JHBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742237 RCDGACYUSATMQW-UHFFFAOYSA-N 455.562 3.742 5 40 JHBB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22750103 XDVUVOAVYWXYSB-UHFFFAOYSA-N 491.957 3.560 5 40 JHBB Cc1ccc(Cn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100851368 HSZXYCAJDPRCFT-IBGZPJMESA-N 463.541 3.976 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 408573116 MAPKPTLVUOQKAC-UHFFFAOYSA-N 482.320 3.806 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408674421 ZKICROFFYVDMCD-INIZCTEOSA-N 485.452 3.662 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680480 GHWCWZCDUHGROI-IQGAEYHTSA-N 453.882 3.837 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 9328794 XZMWAXIUQVXZSB-LJQANCHMSA-N 469.523 3.871 5 40 JHBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(Cl)ccc1[N+](=O)[O-] 9363705 YIFYEAWPGVKNJB-UHFFFAOYSA-N 468.856 3.698 5 40 JHBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1 32694274 LIZTUODFJAXCFE-KZVLXBEFSA-N 496.548 3.782 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 101075491 OHQNDLZFMYZILX-ZRBLBEILSA-N 475.457 3.663 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Oc2ccccc2)cc1 408671036 RYGHMBGAQBUJKJ-QGZVFWFLSA-N 475.457 3.922 5 40 JHBB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14078942 ZDMPXQFESVZNME-UHFFFAOYSA-N 481.534 3.713 5 40 JHBB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1OC 22575288 BMVVNUGAMQCPHW-UHFFFAOYSA-N 465.466 3.862 5 40 JHBB COc1cc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c([N+](=O)[O-])cc1OC 23106426 NWRSIMMFKXGVBC-JOCHJYFZSA-N 465.506 3.569 5 40 JHBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)o1 109042030 ANFOXDRHGLHCMF-NDENLUEZSA-N 477.429 3.646 5 40 JHBB CCCCn1c(=O)c(CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 9958928 MFYNCRGCHCRSRO-UHFFFAOYSA-N 477.477 3.831 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 14135343 VTOWTQMEUUGKBP-UHFFFAOYSA-N 453.520 3.775 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] 17721010 DLCXWAVHLBTHNB-HSZRJFAPSA-N 461.474 3.854 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 106021360 ATMIMTQWQRBXKU-MTQWNXOMSA-N 472.526 3.809 5 40 JHBB Cc1c(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 675995 QLQKUXAWZZDVIR-LJQANCHMSA-N 498.754 3.931 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1ccc([N+](=O)[O-])cc1C 8398833 VGRKHEVLIXNSKG-UHFFFAOYSA-N 458.324 3.968 5 40 JHBB COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 8400785 HAPQWGMFXRJNCS-YVLHZVERSA-N 473.463 3.779 5 40 JHBB Cc1cc(N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 9157861 KRMVSWKUHQLBCE-UHFFFAOYSA-N 452.559 3.769 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1C 9671739 HAXHKQZBYDTDCF-CQSZACIVSA-N 463.487 3.593 5 40 JHBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccco4)[C@@H]3C2=O)cc1[N+](=O)[O-] 247999563 RSTJRUJDRXPOHC-WBADGQHESA-N 469.453 3.895 5 40 JHBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408736863 JQBWHNUDXYMWTF-SFHVURJKSA-N 466.475 3.985 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2F)n[nH]1 409160644 VIVPAEGXWXFMRS-GOSISDBHSA-N 472.502 3.710 5 40 JHBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCN(C)C)cc1 2677478 OFKYNOGEHLLOPY-LTGZKZEYSA-N 462.506 3.612 5 40 JHBB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 8990787 QLOIBOOOXUQHLZ-JAGQFSKZSA-N 459.502 3.852 5 40 JHBB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C 9715674 NXKICJBUBXHKHO-UHFFFAOYSA-N 457.361 3.531 5 40 JHBB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12651199 LQHZLWNHVYVKBK-UHFFFAOYSA-N 462.441 3.557 5 40 JHBB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 16157658 SNQNQZOEFKLICC-PNHOKKKMSA-N 450.447 3.560 5 40 JHBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl 22565869 FVLYLMUDKWKJBN-UHFFFAOYSA-N 458.677 3.836 5 40 JHBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 57222820 PMSKKIJPMHULCI-UHFFFAOYSA-N 474.517 3.956 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)cc1[N+](=O)[O-] 85342898 WAWPHCDIVXNXOB-UHFFFAOYSA-N 468.285 3.581 5 40 JHBB CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224932375 QTXLPRDPPZNKKJ-FQEVSTJZSA-N 460.556 3.687 5 40 JHBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1ccc(OC(F)(F)F)cc1 408605882 NHJPVQXGHQVMLY-XCVCLJGOSA-N 492.366 3.883 5 40 JHBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 408637966 OLCAMFLLZRHICS-UHFFFAOYSA-N 487.538 3.554 5 40 JHBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)o1 2747244 WFEWMOIMKVJQIO-QGZVFWFLSA-N 457.240 3.862 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 8837302 KJXRNJPGFYUPPB-LWSSLDFYSA-N 480.480 3.665 5 40 JHBB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 27016805 QXLUTCWESDDCCI-OAQYLSRUSA-N 460.446 3.600 5 40 JHBB COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc(OC)c1O 13381016 MIKIHCHUGBZLHD-DENIHFKCSA-N 466.442 3.551 5 40 JHBB biogenic Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 16045896 WXQSQKJLSFEFKI-UHFFFAOYSA-N 450.495 3.670 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccco1 9167943 KVKFLNQBCBCLRO-QPPBQGQZSA-N 456.458 3.554 5 40 JHBB biogenic CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1O 34848012 JMBIPPDTMQAQFD-UHFFFAOYSA-N 486.452 3.551 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 13504687 IARMZZTYXNKRGU-DEOSSOPVSA-N 473.512 3.680 5 40 JHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 15179540 KZZYACKVSBSRJC-IYICPGQYSA-N 457.552 3.827 5 40 JHBB Cc1ccc(OCc2cccc(-c3nnc(S)n3CCCN3CCOCC3)c2)c([N+](=O)[O-])c1 2793682 WZIBCBWSCTZQFL-UHFFFAOYSA-N 469.567 3.752 5 40 JHBB O=C(Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCCCC1 9519837 ONPULFYVHCNNNK-UHFFFAOYSA-N 455.536 3.926 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(C)cc3cc(OC)c(OC)cc3n12 12470127 UBQXJHCJXNAUSQ-UHFFFAOYSA-N 483.506 3.856 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 22140899 NDLNTFRRCKXQDR-UHFFFAOYSA-N 489.597 3.775 5 40 JHBB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 27373618 VXNPWLSUMVHERL-KEZOAJOQSA-N 480.480 3.749 5 40 JHBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)n(CCOC)c2nc3ccccc3nc12 3205314 HTVCGFXNFWJICS-UHFFFAOYSA-N 463.450 3.568 5 40 JHBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8831489 DSLSNRMNIJZJON-UHFFFAOYSA-N 452.492 3.818 5 40 JHBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9190358 MWQUJMKTCSFGBJ-UHFFFAOYSA-N 459.462 3.565 5 40 JHBB COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1[N+](=O)[O-] 14271016 XVVRVWBHUWKBBG-UHFFFAOYSA-N 454.302 3.810 5 40 JHBB O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14275640 FMSGVICFYAQQKY-UHFFFAOYSA-N 477.955 3.821 5 40 JHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 24748705 KNJSVROQRCESSB-UHFFFAOYSA-N 460.446 3.856 5 40 JHBB CC(C)NC(=O)c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 40024879 XSPRDBZTOQTPQN-UHFFFAOYSA-N 451.449 3.864 5 40 JHBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1[N+](=O)[O-] 138611202 CVLGUJMERMERSO-GFCCVEGCSA-N 466.277 3.745 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc(C)c1Br 408667752 KKMQAWQNOIONLV-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 913960 HDXGKBYBEDINRQ-UHFFFAOYSA-N 464.503 3.531 5 40 JHBB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 18044186 LYPNGYSKAYHGLJ-VSKRKVRLSA-N 463.421 3.794 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408565412 KLFMHNWXXXPPDY-YQIFXUADSA-N 477.492 3.935 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408824623 IOXZAKPOPXOTKG-SRKIZSPNSA-N 497.960 3.668 5 40 JHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1O 19075522 RUXVCRQVJYIDIG-UHFFFAOYSA-N 468.374 3.628 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225164582 ZEAFYMNQIFMCKL-CVEARBPZSA-N 477.945 3.968 5 40 JHBB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)[C@@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1 408927991 ZHBROSLDSCOIHA-CYBMUJFWSA-N 451.439 3.518 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1O 409180367 RRTOEJDGXUMACW-ZDLGFXPLSA-N 471.491 3.991 5 40 JHBB O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 3240994 ZNVPBDHXRACMPX-UHFFFAOYSA-N 458.423 3.574 5 40 JHBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9631499 YAAXKIGWCZLTQL-UHFFFAOYSA-N 481.509 3.667 5 40 JHBB Cc1sc2ncnc(Sc3ccc(S(=O)(=O)NCCCN(C)C)cc3[N+](=O)[O-])c2c1C 16044660 IYSNOGDOKYVLLT-UHFFFAOYSA-N 481.625 3.598 5 40 JHBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 17971334 CEFWHDCPWNQIKV-ZRBLBEILSA-N 475.457 3.663 5 40 JHBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20153092 SZISLFUJYRQDJE-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccccc2F)CC1 22564694 RKAKUSYVMYRTEN-UHFFFAOYSA-N 457.893 3.590 5 40 JHBB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57580699 WYAPVOFSVBLNJU-SJORKVTESA-N 451.502 3.670 5 40 JHBB O=c1/c(=C\c2cccc(O)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 139636998 VDZGEOSXEKCZEP-AQIZGWBQSA-N 481.533 3.933 5 40 JHBB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 229872913 VXNPWLSUMVHERL-YCAMKHIRSA-N 480.480 3.749 5 40 JHBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731496 MZIDNTXQDKEFMS-OAQYLSRUSA-N 455.467 3.764 5 40 JHBB O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 3128308 QXZKRASABCPTLP-JTHBVZDNSA-N 454.479 3.642 5 40 JHBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 14276791 HBGAVWNHMYBRNI-UHFFFAOYSA-N 489.985 3.824 5 40 JHBB COc1ccccc1[C@@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1 15128625 PJLLTNRVOQXQQL-OAQYLSRUSA-N 462.572 3.539 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)c(Cl)c1 138904867 CODHWCCUTXCWLH-LLVKDONJSA-N 496.701 3.546 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225486194 GQVSKZVTNNOHKR-FXAWDEMLSA-N 457.527 3.704 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408649506 LBEUJQVONYDCDY-DLYLSIRJSA-N 499.523 3.585 5 40 JHBB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408675075 GHLJBUQMPCNQKF-UHFFFAOYSA-N 459.455 3.861 5 40 JHBB COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C 13424585 WJNLDUSWXFNVGH-UHFFFAOYSA-N 463.903 3.695 5 40 JHBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 16320850 CAJUSMUFYUUGTE-YCRREMRBSA-N 477.955 3.608 5 40 JHBB CC1CCC(N(C)C(=O)COC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 21999869 HRGROLAACHAGAS-UHFFFAOYSA-N 490.534 3.556 5 40 JHBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 22710423 QEJMIMNVGNEFCF-UHFFFAOYSA-N 474.517 3.883 5 40 JHBB CCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101145884 OQVRHJOLHWYFDS-OLFWJLLRSA-N 488.544 3.684 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@H]1c1ccccc1 102777453 SUYYMIDTELSSEV-ATIYNZHBSA-N 470.485 3.593 5 40 JHBB CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1[N+](=O)[O-] 1105796 CXIGKBZHAOPYRS-QFIPXVFZSA-N 477.477 3.647 5 40 JHBB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9008829 QWRHMBFWJPHVQA-SJTCKAEWSA-N 483.524 3.851 5 40 JHBB CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C 10442511 DNJZIBYACGJVQX-UHFFFAOYSA-N 497.529 3.914 5 40 JHBB COc1cc(Br)cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1OCc1ccccc1 20036618 DJXAUZSBEAAWOP-BQYQJAHWSA-N 474.267 3.904 5 40 JHBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153341 YINLOCMDMIVUSC-UHFFFAOYSA-N 478.914 3.682 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20566927 SVAIFRRTLZBRDN-XOEOCAAJSA-N 490.516 3.948 5 40 JHBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 22565864 BDRGSGRIHYZEMJ-UHFFFAOYSA-N 458.677 3.836 5 40 JHBB 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Cc1sc2nc3c4ccccc4c(NC[C@H]4CN(CC(C)C)CCO4)nn3c(=O)c2c1C 23881645 DREUVVIXTRXGQP-KRWDZBQOSA-N 451.596 3.843 5 40 JHBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222988441 RSXIMYHDXDGUET-AOMKIAJQSA-N 459.568 3.896 5 40 JHBB Cc1ccc2ccnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 1628019252 MMSGPINGVVFTRQ-HXUWFJFHSA-N 454.508 3.633 5 40 JHBB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 3442068 BLUVUGMNIVHQSH-LBPRGKRZSA-N 476.507 3.904 5 40 JHBB Cc1ccc(Sc2ccc(C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 9317393 DPJGOAAUOPEZNC-MOPGFXCFSA-N 490.603 3.863 5 40 JHBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccco2)cc1 9569356 OXIGUWOYJYMPTB-LJQANCHMSA-N 464.883 3.795 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc(Cl)c1 101176496 GEWINPAOINSYRY-MEFGMAGPSA-N 464.909 3.801 5 40 JHBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106741099 MPZOSFPSEYMERQ-YPEHOIGNSA-N 462.823 3.942 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409357052 IIJGVAQHWGTLGS-CYBMUJFWSA-N 488.957 3.907 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 19868693 UCLBKXZECPBUSY-UHFFFAOYSA-N 469.922 3.876 5 40 JHBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20153257 BZEKXADQSWRILZ-UHFFFAOYSA-N 472.523 3.665 5 40 JHBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 39757760 IVEBKRJHXXRABL-UHFFFAOYSA-N 457.512 3.545 5 40 JHBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 223209073 WRUKBWJZOCSZPR-BJKOFHAPSA-N 493.589 3.945 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O)Nc1cccc(F)c1 409254202 VZJHCOCGESJAIV-LHHJGKSTSA-N 496.270 3.877 5 40 JHBB Cc1cc(Cl)ccc1NC1=NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 5891739 ONAUUOZCZJZPBW-OAHLLOKOSA-N 463.859 3.904 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccco1 9167947 KVKFLNQBCBCLRO-ZJSXRUAMSA-N 456.458 3.554 5 40 JHBB biogenic CCOc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1OC 12751938 OXLIPZZHCZHVLV-UHFFFAOYSA-N 470.478 3.508 5 40 JHBB C[C@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2c(c1)OCCO2 18108879 RRWJVMXCTYVKEA-HNNXBMFYSA-N 484.486 3.625 5 40 JHBB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 33410677 MBRYVARXVRRTKS-LLVKDONJSA-N 492.920 3.738 5 40 JHBB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409348174 OAZUAGZUDDKAJI-LBPRGKRZSA-N 474.930 3.599 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1OC 13632904 KTXALYFGUWXLMF-UHFFFAOYSA-N 477.521 3.582 5 40 JHBB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 35225741 FGAPUNRRDYYLIK-UHFFFAOYSA-N 495.348 3.691 5 40 JHBB CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 223331149 OOQHMYOXNQVHBL-UHFFFAOYSA-N 495.970 3.952 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)cc3Cl)CC2)c([N+](=O)[O-])c1 408572570 KGWNVYQBJAKYJW-UHFFFAOYSA-N 490.969 3.570 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408681221 HJSAKSGLFMHGTM-FEBSWUBLSA-N 498.879 3.745 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409132195 NLHDFQZGEPXVJN-OAHLLOKOSA-N 468.539 3.736 5 40 JHBB COc1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1[N+](=O)[O-] 2405675 NHWORLYBMCZAAS-JYRVWZFOSA-N 450.188 3.553 5 40 JHBB CN1C(=S)S[C@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)C1(C)C 8407868 IXRADQRZNYVFFZ-IKVWTGGYSA-N 498.586 3.510 5 40 JHBB Cc1cc(I)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8832256 LWKJTXPEZKOIAQ-UHFFFAOYSA-N 467.263 3.597 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2Cl)n1C 9328998 PXHHCRVSIPOQOP-UHFFFAOYSA-N 488.957 3.987 5 40 JHBB CS(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 9439159 HKMRULDOTWQIDU-LBPRGKRZSA-N 466.566 3.649 5 40 JHBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccccn1 9860228 WSQZFIAVJYOAAU-UHFFFAOYSA-N 462.517 3.626 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCSc2ccc(Cl)cc21 16738171 KCVVOBINMMUPBB-INIZCTEOSA-N 469.972 3.918 5 40 JHBB O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 36144768 HSAIMDQWNORJNI-QCHPHUCNSA-N 487.562 3.994 5 40 JHBB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)Nc2nnnn21 103419245 INLBSJUQLIQDSW-SFHVURJKSA-N 466.864 3.983 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c([N+](=O)[O-])c1 1899340 WPOQHDUSCAWOCR-UHFFFAOYSA-N 462.441 3.758 5 40 JHBB CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 3134885 WALCTFGVVJVMJO-UHFFFAOYSA-N 467.960 3.630 5 40 JHBB COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC 8861394 VDUIPDZVELCEPS-UHFFFAOYSA-N 467.444 3.912 5 40 JHBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 9064679 JHDFHDNBQWORBX-UHFFFAOYSA-N 458.540 3.561 5 40 JHBB NCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 9554143 TYPDDCXRUYCGAY-UHFFFAOYSA-N 483.373 3.936 5 40 JHBB CCOc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 13647141 ICIAHGLZJHARPW-UHFFFAOYSA-N 455.492 3.828 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20518795 RRANEJOVMWVIMH-VRIJDZSUSA-N 490.516 3.948 5 40 JHBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854542 JBNGWVMCCLQLFE-FQEVSTJZSA-N 464.551 3.879 5 40 JHBB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 24811854 LPVHTKLWQOYXMH-OAHLLOKOSA-N 496.486 3.630 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307662 VODICKRBOLSNKG-WTEVXDJOSA-N 472.526 3.809 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)o1 205797867 UTGDRETUFKOCND-XDHOZWIPSA-N 471.491 3.912 5 40 JHBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223172566 HASWQIAUMAFQQR-LJQANCHMSA-N 457.527 3.704 5 40 JHBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408565429 BVURABJQLDBUKS-GZCZHKAFSA-N 490.354 3.815 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408655884 SANKLLLAPVECGW-YFZFPPMRSA-N 481.892 3.686 5 40 JHBB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9714741 AOCNMAQXZVHCIR-UHFFFAOYSA-N 458.540 3.622 5 40 JHBB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)[nH]c1=O 13010756 CFUJFEKPRAGNPQ-UHFFFAOYSA-N 483.525 3.780 5 40 JHBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COc2cccnc2[N+](=O)[O-])cc1OC 21178016 QSVZGINTYQKJMS-MRXNPFEDSA-N 468.491 3.825 5 40 JHBB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cccc([N+](=O)[O-])c1 57316700 CLDWWRSYJIQDLP-UHFFFAOYSA-N 476.839 3.642 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102738669 IIKLQEGSDUZIGC-WXFUMESZSA-N 489.484 3.972 5 40 JHBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 409126644 MAQYYFDCXNFZRX-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409346893 MWEHRNPBIFZWFB-ZWSORDCHSA-N 475.866 3.960 5 40 JHBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)NCc1ccccc1 3351837 LRQPAXJITHVKOP-UHFFFAOYSA-N 495.875 3.662 5 40 JHBB CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 9846189 QSSXYFCLBBYGAA-UHFFFAOYSA-N 481.622 3.984 5 40 JHBB C[C@H](OC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(F)cc1 11072988 GTYMJKVTGYYNFP-AWEZNQCLSA-N 473.434 3.930 5 40 JHBB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc([N+](=O)[O-])cc5c4OCOC5)C3=O)ccc2c1 12799701 BXGGJHFCUOQROI-DEOSSOPVSA-N 463.446 3.590 5 40 JHBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 13097087 AHLUCVPXQUWRJU-UHFFFAOYSA-N 478.486 3.849 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 14273883 QWKSUWIIIFCZFV-UHFFFAOYSA-N 483.535 3.595 5 40 JHBB CN1N=C(c2ccccc2)[C@H](C(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(C)N=C2c2ccccc2)C1=O 102953759 RKZLNEOKGFCKLH-GOTSBHOMSA-N 481.512 3.663 5 40 JHBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 103629555 LDHXHYGKQZYSDA-GNVQSUKOSA-N 472.545 3.686 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223896629 DRWOJKOESCVXGL-INIZCTEOSA-N 473.501 3.597 5 40 JHBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSC1CCCCC1 409026523 RJCDGNZPBPIJIR-UHFFFAOYSA-N 477.608 3.972 5 40 JHBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(=O)n(-c5ccccc5[N+](=O)[O-])cnc4c23)CO1 1309365 ZYRFIJUKEPIGOR-UHFFFAOYSA-N 493.545 3.592 5 40 JHBB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 8904396 CBXQCKGZXJQSEO-UHFFFAOYSA-N 460.918 3.814 5 40 JHBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186966 QVRHEMAUCCGGBE-OAHLLOKOSA-N 464.550 3.572 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 10449506 FAJUSOXTKHNBRW-UHFFFAOYSA-N 451.504 3.770 5 40 JHBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 20529089 AWEMOQXKSNVSJV-UHFFFAOYSA-N 456.808 3.711 5 40 JHBB Cc1ccc(Cn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100851370 HSZXYCAJDPRCFT-LJQANCHMSA-N 463.541 3.976 5 40 JHBB CC1=C[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 101478199 QNPDOFCZLATMOX-MYGLTJDJSA-N 459.502 3.852 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408655882 SANKLLLAPVECGW-RFVSGWPVSA-N 481.892 3.686 5 40 JHBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 409338805 BKAHPJQHGYVDMP-POHAHGRESA-N 454.395 3.852 5 40 JHBB O=C(O)c1cc(C(=O)O)cc(-c2cc(-c3cc(C(=O)O)cc(C(=O)O)c3)cc([N+](=O)[O-])c2)c1 1976120205 LXXNLOHNCJIIHT-UHFFFAOYSA-N 451.343 3.722 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15987041 PEMXMCGQBYVHHF-KEZOAJOQSA-N 465.465 3.993 5 40 JHBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCC(=O)OC 107714363 NPEASCWITDNURF-WAYWQWQTSA-N 488.234 3.617 5 40 JHBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223708938 YXQBUEAYZJNYPI-LEWJYISDSA-N 452.492 3.785 5 40 JHBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 408668993 VJTKEFJXHFMHTI-UHFFFAOYSA-N 453.373 3.904 5 40 JHBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccccc2)cc(OC)c1OC 2241209 GERSUUZPGXDHBL-UHFFFAOYSA-N 469.497 3.930 5 40 JHBB COc1ccc(CCNC(=O)c2c3nc4ccccc4nc3n3c2[nH]c(=O)c2ccccc23)cc1 6143828 RESMFKLGIINJSB-UHFFFAOYSA-N 463.497 3.858 5 40 JHBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 9242723 VIIUZRFDNPKPBJ-CUKRAGERSA-N 468.897 3.679 5 40 JHBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 12559628 BOVOFEHLJIEVCT-MRXNPFEDSA-N 458.393 3.962 5 40 JHBB Cc1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 13038440 ARBQDMMITBSISL-UHFFFAOYSA-N 458.584 3.795 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 13803880 QQHOFMDTDRGQOR-FKBYEOEOSA-N 474.429 3.550 5 40 JHBB O=C(OCc1cc(=O)n2ccccc2n1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 18359305 SFTOSYNTTQCIME-UHFFFAOYSA-N 476.411 3.581 5 40 JHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 37228438 ZDMAWFCAYPMOBO-NRFANRHFSA-N 468.897 3.979 5 40 JHBB COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 205769849 JMAGDPUSAICTAB-LZYBPNLTSA-N 489.418 3.513 5 40 JHBB CCc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 223528730 YEJQYUABEIKQOI-UHFFFAOYSA-N 483.546 3.548 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc([N+](=O)[O-])c1O 409357507 QNLZIVMBMQPJRW-AUWJEWJLSA-N 497.407 3.791 5 40 JHBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 9510040 LBUFWEOPZOBECI-SECBINFHSA-N 487.343 3.723 5 40 JHBB CCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9662335 VOBMJERGEKLXJQ-UHFFFAOYSA-N 490.763 3.732 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868400 ASHYPJMUUJIXFI-UHFFFAOYSA-N 451.932 3.737 5 40 JHBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccs1 33726393 MUNWYBURORLGPY-SNAWJCMRSA-N 494.279 3.606 5 40 JHBB Cc1[nH]c(CN(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)nc1-c1cccc([N+](=O)[O-])c1 89547810 JRHWOZXZVPMQKA-UHFFFAOYSA-N 485.566 3.642 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101162909 IUDHXPFYUIVKMZ-OLFWJLLRSA-N 472.545 3.984 5 40 JHBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408565026 AZYVKFOWRQOKGI-LPVCTFIXSA-N 474.473 3.742 5 40 JHBB COc1ccc(/N=c2/c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3n(O)n2-c2ccc(OC)cc2)cc1 3185783 KFLJKARWMRAUKT-DQRAZIAOSA-N 451.395 3.735 5 40 JHBB O=C(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nnc(C2CCCCC2)s1 9242606 ZSRWDSJZAYDTPK-UHFFFAOYSA-N 472.571 3.562 5 40 JHBB O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 9403184 OXVKQWGWPXMUMC-UHFFFAOYSA-N 495.875 3.960 5 40 JHBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(I)cc1 22741471 NOJCQANLDFPQRM-UHFFFAOYSA-N 484.300 3.936 5 40 JHBB Cc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)CC3)n2)cc1 32892804 RMBSYIGATIAIJC-MRXNPFEDSA-N 484.944 3.751 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(NC[C@H]3COc4ccccc4O3)c([N+](=O)[O-])c2)cc1 89453634 MRKIWUSFPKLHDY-KRWDZBQOSA-N 471.491 3.656 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 409211841 OVVZCKJKPUYCJL-ODLFYWEKSA-N 464.409 3.834 5 40 JHBB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 520405956 LVPZOCBMQXUNTJ-MRXNPFEDSA-N 480.500 3.985 5 40 JHBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 12522572 ZSMWQAGNBHROIK-QHCPKHFHSA-N 491.566 3.586 5 40 JHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 23157651 KNKQNKKYWVOJGT-FQEVSTJZSA-N 464.551 3.620 5 40 JHBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NCc1ccccc1 58046983 CEOVDBDFBFZMGQ-UHFFFAOYSA-N 453.527 3.713 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408559685 BBNSSVOIGQSQMR-AWEZNQCLSA-N 467.931 3.605 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C 408671653 SXVMSBCIIMHWED-CQSZACIVSA-N 490.310 3.509 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 409351728 AIVMMTYOEXJJQU-MFOYZWKCSA-N 473.419 3.527 5 40 JHBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CCCCCC3 2780702 FJFRSEWQTDSIGI-UHFFFAOYSA-N 482.522 3.555 5 40 JHBB O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)NCc1ccco1 9391908 HAQAQEANXKMMLT-UHFFFAOYSA-N 478.530 3.981 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 13148957 PATMEPKTWPXARG-CALCHBBNSA-N 499.593 3.676 5 40 JHBB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c(OC)c1 36392274 RAPRVBPAFZXDSZ-UHFFFAOYSA-N 468.915 3.752 5 40 JHBB CC1(C)Cc2c(sc3nc(C(C)(C)C)n(NC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c23)CO1 1301803 XASMPBVWRBZDQI-UHFFFAOYSA-N 456.524 3.899 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2151947 VTBMZSNWPRQACE-WNCULLNHSA-N 496.523 3.970 5 40 JHBB biogenic COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)CC2 16002191 UEOJCIULJSZTNT-XMMPIXPASA-N 450.495 3.600 5 40 JHBB CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 35104970 DMDRZBBFVFERLT-FQEVSTJZSA-N 482.581 3.673 5 40 JHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222597468 GVDIKNQLICLZAA-LJQANCHMSA-N 477.945 3.968 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1[N+](=O)[O-] 409162301 ZSUUWRZLLIJZQJ-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409389583 HOHBWJMFKUHZEI-GFCCVEGCSA-N 458.323 3.941 5 40 JHBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1 2245808 FLTVXQKAHAOOCG-IBGZPJMESA-N 483.528 3.948 5 40 JHBB CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(OCC)c1OCC 9441996 JDZIJKVNTSOCRH-AWEZNQCLSA-N 476.482 3.984 5 40 JHBB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C(C)C)c1 9510204 SUSVVUXHQIMAKS-IBGZPJMESA-N 481.427 3.858 5 40 JHBB COc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-n2cccc2)c1 9738618 UIVZSLLJXZAZQH-UHFFFAOYSA-N 450.480 3.706 5 40 JHBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13678613 HIAYSZWVDKZACV-HXUWFJFHSA-N 473.894 3.843 5 40 JHBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 20009103 BGMGCHCNMOFSBG-NRFANRHFSA-N 483.546 3.749 5 40 JHBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 25211572 VVYKZTVTZIIHFR-UHFFFAOYSA-N 477.521 3.796 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)cc1OC 34689088 NRVQGQFCNOECEE-UHFFFAOYSA-N 491.566 3.883 5 40 JHBB CCCCn1/c(=N\C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101249569 ZHGKMQLJIIBLJQ-OLFWJLLRSA-N 488.544 3.684 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 102946596 AXZLBPACMVJUEU-SIKLNZKXSA-N 462.389 3.652 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408640686 BMJGZYZVRZRGRQ-IBZMOEQTSA-N 481.892 3.686 5 40 JHBB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)c1 409127641 DYBXZAYNSCCJBQ-UHFFFAOYSA-N 455.496 3.781 5 40 JHBB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409341766 FLQYRWXQMUMYPT-UHFFFAOYSA-N 468.539 3.735 5 40 JHBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(C2CCCCC2)cc1 8632926 JUJGVKRWDXIFPE-UHFFFAOYSA-N 450.447 3.665 5 40 JHBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c([N+](=O)[O-])cc1OC 9510039 LBUFWEOPZOBECI-VIFPVBQESA-N 487.343 3.723 5 40 JHBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 33409596 OGOJPAINFYFCSC-FPLPWBNLSA-N 474.267 3.904 5 40 JHBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)CC1 107706328 MTNWRWUTXIKBRU-UYRXBGFRSA-N 454.508 3.680 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680789 GRJYWFJFIUDYNW-HZVDNRATSA-N 498.333 3.946 5 40 JHBB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1893077 PIOAEHFVFIUWLL-UHFFFAOYSA-N 496.998 3.940 5 40 JHBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccco1 2094526 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473.532 3.663 5 40 JHBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCC[C@@H]3C(=O)Nc4ccccc43)c([N+](=O)[O-])c2)C1 108935418 ZROUUZNJWDPZTO-MDZRGWNJSA-N 472.567 3.799 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222706088 BMARCZQBFKKOFQ-QGZVFWFLSA-N 457.527 3.623 5 40 JHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223031446 GSYBYHHAKGNJRX-NHCUHLMSSA-N 454.508 3.877 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408668639 VGBCVZAXIGTXQF-UHFFFAOYSA-N 485.493 3.842 5 40 JHBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 9202869 SMYFSOGJBHJGKP-ZVLVQXPOSA-N 482.876 3.823 5 40 JHBB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 9285204 YOXCCQYPBSHRPT-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c1C 9493609 DEKPFEYZSYZOMG-CABCVRRESA-N 459.886 3.788 5 40 JHBB 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CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 8395975 RMPYDZRMIMEBAX-YXHQGMJNSA-N 473.463 3.779 5 40 JHBB CCOC(=O)c1sc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)c(C(=O)OCC)c1C 8682548 JCODPYNGHIBPGX-UHFFFAOYSA-N 486.934 3.895 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O 9128841 KJUUQEADKHGSHK-XMSQKQJNSA-N 456.886 3.679 5 40 JHBB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] 20611522 VCQJICBSXBZGPO-UHFFFAOYSA-N 450.289 3.845 5 40 JHBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 21742469 IPILZAPTYVYQOS-QFIPXVFZSA-N 484.468 3.577 5 40 JHBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cc(-c2ccccc2)no1 22132719 BCKHXMQKBISSPR-LJQANCHMSA-N 455.492 3.845 5 40 JHBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 33713266 GQVRJJYWCXZMOU-ZDUSSCGKSA-N 488.957 3.907 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCc3ccccc3)C2=O)[C@@H]1c1ccccc1 9452191 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O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc([N+](=O)[O-])c1 1846636 SYNTUWADQCYUHO-UHFFFAOYSA-N 495.586 3.746 5 40 JHBB O=[N+]([O-])c1nn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1Cl 2731117 LALOSMBCEQVTTD-UHFFFAOYSA-N 451.299 3.986 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(I)cc1 3514315 GTJGGDNNXKZALH-UHFFFAOYSA-N 460.611 3.648 5 40 JHBB CC[C@@H](OC(=O)CSc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6134572 VKOLZJBNEBWVIA-GOSISDBHSA-N 494.533 3.960 5 40 JHBB COc1ccc(NC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c([N+](=O)[O-])c1 12137365 CWVANLFVSWCPNG-UHFFFAOYSA-N 459.524 3.763 5 40 JHBB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22232703 PNOHXPZZENFOQW-UHFFFAOYSA-N 473.482 3.718 5 40 JHBB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22567900 HBLFLTCYKCNROE-UHFFFAOYSA-N 460.490 3.865 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 101490537 ZVLKSWDBHGRLPT-ACESQOTJSA-N 459.502 3.853 5 40 JHBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 408924542 JTNFPLGBNMRNOF-UHFFFAOYSA-N 456.436 3.865 5 40 JHBB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)sc(C)c1C 2072218 NLJQRCOWQUAGKA-UHFFFAOYSA-N 475.552 3.976 5 40 JHBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 2662143 GTLLJUPKBYRKOV-UHFFFAOYSA-N 496.497 3.570 5 40 JHBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C 3189346 ZLAFJNWHPIQHFD-UHFFFAOYSA-N 450.860 3.906 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21762864 PIBFVOQYEZICTD-UHFFFAOYSA-N 466.416 3.715 5 40 JHBB O=c1c2cc3c(=O)n(-c4nc(SCc5ccccc5)n[nH]4)ccc3nc2ccn1Cc1ccco1 40398960 MKLLGPGCPQBSCA-UHFFFAOYSA-N 482.525 3.752 5 40 JHBB CCN(CC)C(=O)CN1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 57290142 BILDVVZYGWLNJB-UHFFFAOYSA-N 489.576 3.991 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(OCC)cc1 100820866 JAFPHRBIHCXJBD-OLFWJLLRSA-N 488.544 3.622 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc([N+](=O)[O-])ccc21 100821193 FYNRXWSWDNJSII-QTUOYIBBSA-N 488.591 3.793 5 40 JHBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1)N1CCOCC1 225536699 MZOQCVDFNQGDRF-UHFFFAOYSA-N 467.522 3.673 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 229858161 PEMXMCGQBYVHHF-KIHHCIJBSA-N 465.465 3.993 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1cccc([N+](=O)[O-])c1 408650310 MHQYPQCOUCWIDH-IBGZPJMESA-N 489.440 3.949 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 3346963 UMXYKMNNIRGLRW-UHFFFAOYSA-N 482.305 3.977 5 40 JHBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)O 3769730 SYPHKNMUJBKWIP-LZYBPNLTSA-N 478.866 3.957 5 40 JHBB O=C(COc1ccccc1[N+](=O)[O-])NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 9355906 MQTHNJRKXLNCAX-UHFFFAOYSA-N 470.485 3.735 5 40 JHBB 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ZRTUTOZWCMJSMX-IBGZPJMESA-N 497.581 3.768 5 40 JHBB COC(=O)C[C@H](c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418544 PELQSYYDDNRUAM-LJQANCHMSA-N 492.488 3.691 5 40 JHBB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10218699 ZIAGZMUIJRMPJY-UHFFFAOYSA-N 467.550 3.981 5 40 JHBB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18032541 DECWLHVNAHLOPI-ZLNRFVROSA-N 472.457 3.604 5 40 JHBB CCCCCn1/c(=N\C(=O)c2ccc(OC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101145464 OELARNLYHRVLKR-OLFWJLLRSA-N 488.544 3.766 5 40 JHBB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224890470 ZEMNCNIAJSBAIH-INIZCTEOSA-N 461.418 3.677 5 40 JHBB CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225171818 SZNAFIZRHVSUDY-VQIMIIECSA-N 463.556 3.642 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1cccc(Cl)c1 409355340 CAIWJGPACHFUOM-BNCCVWRVSA-N 461.839 3.652 5 40 JHBB Cc1ccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 8715695 LTLIJUBYPFCADJ-QGZVFWFLSA-N 465.487 3.806 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCC(C)C)cc3c3ccnc2c31 8792407 FHKAUNYNZJRFLK-UHFFFAOYSA-N 459.502 3.760 5 40 JHBB biogenic CCOC(=O)[C@@]1(C)C(Br)=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9019165 YHJWRPJDVNZNHZ-HXUWFJFHSA-N 460.284 3.982 5 40 JHBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cccc1C(=O)O 20153261 PRXRLIYGVUMEMM-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB COc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408651661 NSPBNYJISMGRNY-UHFFFAOYSA-N 493.859 3.793 5 40 JHBB Cc1ccc(C(=O)OCC(=O)c2cccs2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409179495 PDEZEYZTQNLGMG-UHFFFAOYSA-N 450.428 3.805 5 40 JHBB O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9227145 DXKQPQYAXYSGQA-UHFFFAOYSA-N 486.319 3.536 5 40 JHBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 22569492 VDVOXAPHUMAQIX-UHFFFAOYSA-N 461.668 3.980 5 40 JHBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2NC(=O)c3ccccc3O2)C1 59488794 LTRWAEZFJYUKCG-WAIKUNEKSA-N 452.511 3.501 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102773875 WDKSHQXVVHSSAZ-WTEVXDJOSA-N 490.516 3.948 5 40 JHBB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223365600 WUOHDWHZLOPBCC-KRWDZBQOSA-N 484.336 3.842 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409165529 ZDQKKFQQZDCAQT-VIZOYTHASA-N 463.855 3.637 5 40 JHBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2379187 TXSSQXLTODDJQZ-UHFFFAOYSA-N 471.517 3.670 5 40 JHBB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 9381060 QLHXKGXBZKOOEZ-UHFFFAOYSA-N 488.591 3.515 5 40 JHBB Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 100354601 IMSWHKUSJVUOFT-IFMALSPDSA-N 454.442 3.520 5 40 JHBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCC[C@@H]3C(=O)Nc4ccccc43)c([N+](=O)[O-])c2)C1 108935422 ZROUUZNJWDPZTO-FCEWJHQRSA-N 472.567 3.799 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224891704 PAAYLBVPMSJNNE-UHFFFAOYSA-N 491.444 3.687 5 40 JHBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O)o2)c1 408635080 YPBCHTAPPFXSSS-FMQZQXMHSA-N 473.419 3.609 5 40 JHBB O=C(NCCc1cn2ccccc2n1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12665976 NLEUCILBCJQZHU-UHFFFAOYSA-N 461.444 3.837 5 40 JHBB CC(C)OC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 13147851 UIHFZYPZJZYORH-NSHDSACASA-N 450.469 3.735 5 40 JHBB Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n2o1 41089683 BBOSPZGSVINUTC-UHFFFAOYSA-N 472.504 3.597 5 40 JHBB CC[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224754358 RRELMOBTONTPRG-INIZCTEOSA-N 495.970 3.950 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c1 408654151 JWPOZPARCSXHRG-FRMGNDQPSA-N 452.463 3.630 5 40 JHBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccccc1S(=O)(=O)N1CCOCC1 9256149 CZBKNYGRGBISJP-UHFFFAOYSA-N 479.864 3.900 5 40 JHBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 9569294 DIMLCQYANXVRSY-UHFFFAOYSA-N 473.532 3.537 5 40 JHBB Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1F 32901418 HGVFVEYYXVGKRC-AWEZNQCLSA-N 456.430 3.847 5 40 JHBB CCN(CC)C(=O)C1=CCC[N@+](C)(CCCCCC[N@@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1 245231662 HNDVYBMXXUXLPW-ACHIHNKUSA-N 476.750 3.837 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408641867 DGRNVXHGFJBSHN-KNXBSLHKSA-N 491.500 3.573 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408649527 LDAHIXCTNHEIFU-NJDAHSKKSA-N 461.474 3.565 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc2c(c1)OCCO2 409198769 FFWDATIHGRAEOD-IUXPMGMMSA-N 475.866 3.694 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 409392682 STSDGJQUSLUUMY-UHFFFAOYSA-N 459.455 3.861 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccco1 6906646 INCUVSDJMNGDGM-UHFFFAOYSA-N 479.474 3.874 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 8399310 UPYBJBDOMXOEIY-UDWIEESQSA-N 473.445 3.622 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 35851882 VRLKJAQZVVFGMN-MTQWNXOMSA-N 490.516 3.948 5 40 JHBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NCCc1ccccc1 58046967 OPTPSJPURXTBKH-UHFFFAOYSA-N 467.554 3.756 5 40 JHBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1OC 2247574 DHEMURNQWBKMDM-GOSISDBHSA-N 485.544 3.733 5 40 JHBB O=[N+]([O-])c1ccccc1N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1 13038107 IQNFAXMKJXQBHN-UHFFFAOYSA-N 494.621 3.637 5 40 JHBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1O 409356625 GQGHIMDKTFTYTK-IDUWFGFVSA-N 493.291 3.991 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408676601 AYRHFKGZRYLTPO-AFHBHXEDSA-N 451.866 3.613 5 40 JHBB CN(Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 60100470 FIAMPLZKTHXWEO-UHFFFAOYSA-N 457.474 3.899 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c(C)c1 9224174 ZEROQWIFAATURH-UHFFFAOYSA-N 467.569 3.577 5 40 JHBB CNS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 12537085 FHLYZWQQJDUSME-UHFFFAOYSA-N 457.508 3.703 5 40 JHBB COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c([N+](=O)[O-])c1 14269681 SPHTYPJNMCUTME-UHFFFAOYSA-N 454.302 3.810 5 40 JHBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(=O)CCSc3ccccc3)cc2[N+](=O)[O-])C1 25395923 QCLFYBIZDBNYBI-KRWDZBQOSA-N 485.562 3.813 5 40 JHBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223705545 UJEUTPDHSYOGFS-YADHBBJMSA-N 482.518 3.794 5 40 JHBB CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224754408 RRELMOBTONTPRG-MRXNPFEDSA-N 495.970 3.950 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408666084 ZWVJALMLULXWKB-WOJBJXKFSA-N 481.892 3.830 5 40 JHBB CCN(CC)C(=O)C1=CCC[N+](C)(CCCCCC[N+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1 6511084 HNDVYBMXXUXLPW-UHFFFAOYSA-N 476.750 3.837 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 15945337 WURBJLBPLOISAE-NFJKTXFASA-N 455.426 3.688 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16012142 RDBXRFOLKKAKLB-KEZOAJOQSA-N 465.465 3.993 5 40 JHBB CCOc1cc(OCC)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16688193 RTIJCOKCKXVQEU-UHFFFAOYSA-N 492.985 3.883 5 40 JHBB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)c1 22108527 FIIGOUGCTOPKLX-UHFFFAOYSA-N 453.451 3.630 5 40 JHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 33010841 HBWIHBZMLROJND-UHFFFAOYSA-N 475.530 3.716 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 9708673 SRVREXCKVAGQPO-UHFFFAOYSA-N 479.561 3.599 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 12556191 ITWCSWJIQQUSSI-UHFFFAOYSA-N 464.444 3.554 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccccc1Sc1ccccc1 20892456 LEBPNTCEKCJXTL-UHFFFAOYSA-N 467.503 3.946 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 36498580 CZOFAXAGACQLKX-FJJKMLSJSA-N 494.507 3.609 5 40 JHBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43561780 XDZQKYCZRXQFDB-LRSLUSHPSA-N 455.426 3.586 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 408645315 UPZYUHLLEHUBAI-CYBMUJFWSA-N 462.300 3.974 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 408652987 PJOISRWVCDQDJN-UHFFFAOYSA-N 481.823 3.924 5 40 JHBB Cc1cc(NC(=O)CSc2nc3ccccc3c3nc(-c4cccc([N+](=O)[O-])c4)nn23)[nH]n1 2969077 JPJUBZIZWSCXJU-UHFFFAOYSA-N 460.479 3.615 5 40 JHBB COc1cc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 8869875 ZFPYDWJYSQJMKH-UHFFFAOYSA-N 456.451 3.821 5 40 JHBB COc1ccc([C@@H]2[C@@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 8974808 OGWHSRIFGMCRDG-JBXUNAHCSA-N 467.485 3.793 5 40 JHBB COc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 12566000 DXLJITIPUQWMRE-UHFFFAOYSA-N 493.476 3.591 5 40 JHBB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cc([N+](=O)[O-])ccc1Cl 12819130 OQJZNHORSXFCKO-UHFFFAOYSA-N 468.823 3.918 5 40 JHBB COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 17854205 KMPOOKARKPGNOO-UHFFFAOYSA-N 463.918 3.890 5 40 JHBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccccc1[N+](=O)[O-] 32116550 COWQGSUQUWTRQH-UHFFFAOYSA-N 475.118 3.952 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247291260 BAWJXRHKMDLBLH-QPXUXIHVSA-N 471.513 3.996 5 40 JHBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 409126645 MAQYYFDCXNFZRX-OAHLLOKOSA-N 468.539 3.562 5 40 JHBB O=C(Nc1nc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cs1)c1ccc([N+](=O)[O-])o1 9404340 NSSHVQGBKVNVEA-UHFFFAOYSA-N 476.408 3.774 5 40 JHBB Cc1ccc(NC(=O)C(=O)NCCCC[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 9434583 VTPGLTWROFZRQK-LJQANCHMSA-N 466.538 3.681 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1 9447550 SUYYMIDTELSSEV-NVQXNPDNSA-N 470.485 3.593 5 40 JHBB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9546027 OBLHWMIYORZYGT-NSHDSACASA-N 455.298 3.808 5 40 JHBB COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 10541924 NIOWGDBEENFCCO-UHFFFAOYSA-N 493.969 3.637 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 18091110 KJXRNJPGFYUPPB-KEZOAJOQSA-N 480.480 3.665 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1[N+](=O)[O-] 22535486 KAKRQQIKIAODDP-UHFFFAOYSA-N 453.524 3.671 5 40 JHBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22705687 AHKUHASIXLTWDN-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2nc(O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 32594615 QUNSVPWAELURHX-SOUVJXGZSA-N 455.473 3.537 5 40 JHBB COC(=O)c1cccc(Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])c1 89453642 YHBOLJSLCSPZEV-UHFFFAOYSA-N 457.464 3.934 5 40 JHBB COc1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409170862 WXKSNOKWFSUCKL-IBGZPJMESA-N 484.538 3.579 5 40 JHBB CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])ccc1OC)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 6547579 VGPQEQCIARSVOL-HSZRJFAPSA-N 496.541 3.627 5 40 JHBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3C=CC=NN23)cc1 9043378 PKBKFBIRMARUGK-WCIQWLHISA-N 456.296 3.678 5 40 JHBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1Cl 21237558 ORVROXIULQUAQB-CYBMUJFWSA-N 482.320 3.772 5 40 JHBB COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22739270 SWNMESVFTFOHGX-UHFFFAOYSA-N 482.484 3.768 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc2c(c1)OCO2 25372892 LDBNTTNNAPKBHD-UHFFFAOYSA-N 471.491 3.769 5 40 JHBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 100364913 WQVGQOIEYQJWRB-DBYOASNMSA-N 466.494 3.856 5 40 JHBB CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 408717989 UJUVWDOOYROVNF-NDENLUEZSA-N 461.455 3.802 5 40 JHBB Cc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409141162 ULNFQYHTSSNFOA-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1[N+](=O)[O-] 8897776 DGNZXZJAUNKEPN-UHFFFAOYSA-N 495.586 3.746 5 40 JHBB CCCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 10059860 MXAWCUIZWZCZIP-UHFFFAOYSA-N 457.483 3.649 5 40 JHBB Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 12993612 YDKUTFXGLAQIST-UHFFFAOYSA-N 471.560 3.778 5 40 JHBB CC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6631932 ZYTDIHUKDSRTIO-CQSZACIVSA-N 469.947 3.675 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9242478 SGGDDFVLESAOHC-VPBXCIAMSA-N 479.492 3.863 5 40 JHBB CS(=O)(=O)c1ccc(NCCNC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 9932913 SYWJXVYPYNCTCY-UHFFFAOYSA-N 467.547 3.749 5 40 JHBB CC(C)C[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 12744049 SQTYFNVUXUJQGR-VWLOTQADSA-N 491.592 3.853 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1OC 13632931 BTEBDUXDUVTEJF-UHFFFAOYSA-N 454.527 3.565 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 21198003 JNTMGSSPUWNISQ-KRWDZBQOSA-N 479.514 3.728 5 40 JHBB CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C1 40117734 QDSYKVCOMFGURD-IBGZPJMESA-N 480.565 3.516 5 40 JHBB Cc1ccc2oc3cc(NCCCN4CCNCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 101037727 CUUHEYSNMNRDHL-UHFFFAOYSA-N 468.557 3.957 5 40 JHBB Cn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 408541371 CLAKXWZYGGFKDH-UHFFFAOYSA-N 482.291 3.728 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 408573863 PEWAXGVQCZIDLM-UHFFFAOYSA-N 455.511 3.769 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408652917 PDHUBVJWDSLNGP-YFZFPPMRSA-N 481.892 3.686 5 40 JHBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409181052 ZRJKOVIFLCVXBL-IOXNAGQWSA-N 496.475 3.660 5 40 JHBB CCCCOCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 8743240 ZSRQHBNJOLHOFB-BVAGGSTKSA-N 490.560 3.968 5 40 JHBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 8825266 LPPMSILPZXGZKG-UHFFFAOYSA-N 494.378 3.877 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl 9086977 IWRBZVQHWMZATG-UHFFFAOYSA-N 451.844 3.903 5 40 JHBB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1cccc([N+](=O)[O-])c1 9761877 HALNJNBLONFIRP-UHFFFAOYSA-N 474.267 3.659 5 40 JHBB CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 16692985 XSSOXIROUSRDIZ-UHFFFAOYSA-N 468.388 3.883 5 40 JHBB COc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)c([N+](=O)[O-])c1 20611843 YCZPMLBBICRNPA-UHFFFAOYSA-N 468.422 3.861 5 40 JHBB O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ccc2ncccc12 36390914 UQXHPXRQHQDACZ-UHFFFAOYSA-N 467.334 3.961 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cccc1[N+](=O)[O-] 57316428 IXSIKCSVYCEKHH-UHFFFAOYSA-N 483.594 3.725 5 40 JHBB CC[C@H](C(=O)NCc1cccc2ccccc12)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222886400 KOBCQMXLGFKDLC-OAQYLSRUSA-N 455.536 3.917 5 40 JHBB CCC1(CC)C[C@H](NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 260772644 VKOOZMSJXIDDCP-JXFKEZNVSA-N 475.567 3.948 5 40 JHBB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408615942 DERDGUDOMQFASA-IBGZPJMESA-N 467.547 3.928 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1C 408672825 XFQFIIWAKKJYSZ-CQSZACIVSA-N 490.310 3.509 5 40 JHBB Cc1ccc2c(c1)C(c1ccccc1)=N[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2 3188125 OVJAGUUTPJEHOH-QFIPXVFZSA-N 460.402 3.784 5 40 JHBB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1 22706033 JZJJACRDTLNSQW-UHFFFAOYSA-N 469.889 3.903 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 33437531 FUAIJOGVSWPRRW-UHFFFAOYSA-N 467.503 3.672 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225202196 AGHHYTUREXGNBC-CVEARBPZSA-N 477.945 3.968 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408660229 WPKHHDPGHUJCQD-UAOJZALGSA-N 483.908 3.910 5 40 JHBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1=S 409153810 NEUZJTKHDSODCH-UHFFFAOYSA-N 468.539 3.528 5 40 JHBB O=C(c1cccc(F)c1F)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 12428421 AOTPODHRLWUJFO-CQSZACIVSA-N 464.444 3.565 5 40 JHBB COc1ccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1 39773578 GNORXBFGFYZGBE-UHFFFAOYSA-N 495.473 3.707 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCCC[C@H]4C)c(=O)c3cc2c1=O 40399097 QLZRBOBXSHNIEJ-JLTOFOAXSA-N 461.522 3.660 5 40 JHBB CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100826846 QMZSXHFSRUAKLW-CQSZACIVSA-N 456.955 3.894 5 40 JHBB CCCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176517 MWAGMJIFEURZAJ-NFFVHWSESA-N 458.518 3.676 5 40 JHBB COc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@H](C)C(=O)O 409247207 CMFIBRKESGLSBH-HJPCULJESA-N 458.448 3.692 5 40 JHBB Nc1c(Br)cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 823766 BBCIYCPIHFLQPX-UHFFFAOYSA-N 458.062 3.742 5 40 JHBB O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 1794512 ODZAWDUFDDZRTG-UHFFFAOYSA-N 467.765 3.588 5 40 JHBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 3641531 KAILKZVQOMCMHL-KRWDZBQOSA-N 457.240 3.862 5 40 JHBB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 19295351 DKYQIBHTSCTSMV-UHFFFAOYSA-N 497.554 3.895 5 40 JHBB CN(C(=O)COC(=O)COc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2Cl)CCCCC1=O 21735080 VFEWGRTYPSBUQC-HSZRJFAPSA-N 474.897 3.667 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102766024 URRNKCCGLYISGN-DNVJHFABSA-N 493.447 3.802 5 40 JHBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223705645 UJEUTPDHSYOGFS-FGZHOGPDSA-N 482.518 3.794 5 40 JHBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224401955 CCEFFMXXFISGKM-OAQYLSRUSA-N 487.528 3.988 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408656996 TVHOSLCVGWOMFC-MAODMQOUSA-N 463.490 3.565 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1Cl 409237992 YJLDQQAYMAAUFB-SOFYXZRVSA-N 461.839 3.652 5 40 JHBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C(C)C)ccc1OC)c1cccc([N+](=O)[O-])c1 12413222 IFNQVMSKZLYALG-GOSISDBHSA-N 450.513 3.700 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 100979950 VHAGPPOZUVAPNG-UHFFFAOYSA-N 451.351 3.916 5 40 JHBB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O 408668968 RNGLQZQNIHLLMQ-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1384324 QXQYFJRAQNHUBS-UHFFFAOYSA-N 452.794 3.550 5 40 JHBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)c1 2255321 KJWFTSJGRLYMSX-IBGZPJMESA-N 483.528 3.948 5 40 JHBB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12859986 JBFYXVHUIAAIOQ-UHFFFAOYSA-N 492.966 3.518 5 40 JHBB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 223985732 HOPSHLUOVLVYBY-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565132 HUMDUXPVECUGLB-XWXRBBKJSA-N 459.502 3.842 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C 408653370 PPSPBOPGLXULQF-SFTDATJTSA-N 463.490 3.627 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1C 408672824 XFQFIIWAKKJYSZ-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1[N+](=O)[O-] 409368517 AAQCRHGCDPTRGS-YCIYHOANSA-N 455.426 3.688 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NC(C)C)cc3c3ccnc2c31 8792338 GYAFUFZMHGOBRF-AWEZNQCLSA-N 459.502 3.901 5 40 JHBB biogenic COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8900317 UXLWNWLXPKLTCD-UHFFFAOYSA-N 488.504 3.735 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1 9491659 ZSQRYEHEVVPCBK-UHFFFAOYSA-N 459.480 3.578 5 40 JHBB COc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9507071 ZQNRYRNCBQSBBU-UHFFFAOYSA-N 489.937 3.769 5 40 JHBB CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 35104969 DMDRZBBFVFERLT-HXUWFJFHSA-N 482.581 3.673 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(C)cc1 101176903 XGXGSLVMYRENJR-OLFWJLLRSA-N 482.496 3.517 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205756242 QXULZVKUIKINCU-YBFXNURJSA-N 472.475 3.782 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223728416 BNGKZJZYJKCUOX-UHFFFAOYSA-N 491.610 3.942 5 40 JHBB COc1c(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)cc(Br)cc1[N+](=O)[O-] 408720847 FOTROGSLFRMKTG-CHHVJCJISA-N 460.309 3.753 5 40 JHBB CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O 1635950 RJBINDGPUXDXQT-PXLXIMEGSA-N 451.442 3.909 5 40 JHBB COc1ccc(-c2cc(CN(C)c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)on2)cc1 24829759 RRLVUWKCYDNFHW-UHFFFAOYSA-N 472.523 3.679 5 40 JHBB CCOC(=O)C1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40618889 KXEOMAICDAIJHB-UHFFFAOYSA-N 451.277 3.719 5 40 JHBB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734117 OHQNDLZFMYZILX-XPWALMASSA-N 475.457 3.663 5 40 JHBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccccc1 224774355 SCRLBXZMYOJHRE-UHFFFAOYSA-N 469.519 3.985 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O 225170774 FFAYPMFTEVRQBY-AWEZNQCLSA-N 492.579 3.654 5 40 JHBB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225471670 HFGSHAJLPZJFEG-AWEZNQCLSA-N 480.384 3.754 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408648683 KBUIZDBPMLHJBW-DKSSEZFCSA-N 483.908 3.910 5 40 JHBB O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 9209584 CBFSPFZKZDRLMV-YGOYIFOWSA-N 453.495 3.630 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1 9328627 BNEXLFTYXKUVTR-NJYVYQBISA-N 478.392 3.693 5 40 JHBB COc1cc(SC)ccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9763015 YLMHTIBURZVLCS-UHFFFAOYSA-N 465.534 3.867 5 40 JHBB COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 13039981 JXESQLLQKDHPJF-UHFFFAOYSA-N 452.433 3.691 5 40 JHBB COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14273714 UBRGPXBLBSNHJO-UHFFFAOYSA-N 493.383 3.511 5 40 JHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222498501 QFQLUASNGUDZOK-FQEVSTJZSA-N 457.527 3.623 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408560467 CUXFTNODWBOJOB-UHFFFAOYSA-N 481.530 3.981 5 40 JHBB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)c1 408588423 WEOCQRIJHRLDLA-UHFFFAOYSA-N 499.545 3.750 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)c([N+](=O)[O-])c1 9058305 WKYBKAUYZQWGLB-UHFFFAOYSA-N 478.328 3.892 5 40 JHBB CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16693176 ZTLPBGJUBLRBNW-UHFFFAOYSA-N 482.484 3.849 5 40 JHBB COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)c(OC)c1 20151687 ODAXEFGVAFCTFR-UHFFFAOYSA-N 467.503 3.804 5 40 JHBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 6600701 BUEJTKOTHAXIKI-XDJZYPBNSA-N 484.464 3.629 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1[N+](=O)[O-] 8832763 NQHXKEKUHXYANG-UHFFFAOYSA-N 483.535 3.513 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9011860 YVABIXBWEIIYHN-KIHHCIJBSA-N 498.470 3.762 5 40 JHBB COC(=O)c1cc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 9349120 DCILYQPJIXOPIJ-UHFFFAOYSA-N 455.389 3.527 5 40 JHBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1 40398937 DWILVMQOPLBOJK-UHFFFAOYSA-N 450.911 3.573 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 103462263 ZVLKSWDBHGRLPT-WZYRSQIMSA-N 459.502 3.853 5 40 JHBB O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 142842155 MTJIZKBBRQHNMH-GJFKPFFXSA-N 481.533 3.933 5 40 JHBB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224069218 DDOXJRWIYVILRH-NRFANRHFSA-N 471.554 3.748 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2151950 VTBMZSNWPRQACE-HOFKKMOUSA-N 496.523 3.970 5 40 JHBB biogenic CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1 2720069 CSLUNXCSUHHLSH-UHFFFAOYSA-N 484.559 3.918 5 40 JHBB O=C(O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 6089034 UPWRPIZWKHGRFC-UHFFFAOYSA-N 465.447 3.781 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 8995549 MZYOIRGGXOFCAS-LJQANCHMSA-N 458.467 3.823 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 9312858 VFMPYJZDCPVAIX-HWHRFOGPSA-N 469.453 3.769 5 40 JHBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 10296679 PAHJYPYIARFWFD-MRXNPFEDSA-N 457.237 3.745 5 40 JHBB COc1cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c([N+](=O)[O-])cc1OC 10498524 MONFUVRJMZGHOC-UHFFFAOYSA-N 470.507 3.824 5 40 JHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12515759 KPPZQYRODZCJKT-OAHLLOKOSA-N 456.524 3.909 5 40 JHBB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 12606323 AZLXZUSZMLVBMF-UHFFFAOYSA-N 472.958 3.827 5 40 JHBB Cc1cc(NC(=O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)ccc1Br 12922442 FISDFSBLYQCXLX-UHFFFAOYSA-N 486.326 3.615 5 40 JHBB O=C1C=C(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)cc1 15318887 CBGBQSXHRIHRNZ-UHFFFAOYSA-N 480.830 3.846 5 40 JHBB O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 15443567 PRVQNHORJSXICF-UHFFFAOYSA-N 450.318 3.791 5 40 JHBB O=[N+]([O-])c1ccc(N2N=C3c4ccccc4C(Cl)=NN3[C@H]3CCCC[C@@]32N2CCOCC2)cc1 20028289 CTTQAZGSWYRPNV-URXFXBBRSA-N 480.956 3.964 5 40 JHBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22715732 FQCPNUAGSYVOOD-UHFFFAOYSA-N 479.356 3.629 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(Cc4ccccc4Cl)c3nc12 101091491 ZUGUOVJSRGWIIG-UHFFFAOYSA-N 473.920 3.662 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@H]43)[C@H]2C(=O)N1c1ccc2ccccc2c1 247331549 PAIAUZTXCXMHPH-KVESWXSYSA-N 453.454 3.923 5 40 JHBB O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 2651719 SKKMHAFJPYIABP-OUKQBFOZSA-N 481.486 3.803 5 40 JHBB COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OCc1c(C)noc1C 8670928 NETXNOQWXHTSOD-UHFFFAOYSA-N 466.494 3.750 5 40 JHBB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 9426378 KMEIPIDSYGTRNU-FQEVSTJZSA-N 455.492 3.548 5 40 JHBB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1 9492902 BEHIAOXOCQLZKL-INIZCTEOSA-N 489.550 3.617 5 40 JHBB COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(C)cc1[N+](=O)[O-] 9635112 JQYDOJNKIJAJOS-ZHACJKMWSA-N 464.478 3.909 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 9707396 VAJTXIUVFUCBOP-UHFFFAOYSA-N 450.476 3.712 5 40 JHBB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13591315 VZQSWAJVNOLKKO-IBGZPJMESA-N 481.526 3.931 5 40 JHBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20410823 CPICHQPJOPUWAW-UHFFFAOYSA-N 455.471 3.582 5 40 JHBB Cn1c([C@@H]2COc3ccccc3O2)nn(CN2CCSc3ccc([N+](=O)[O-])cc32)c1=S 40155492 OHJGIAMGSZWIEQ-KRWDZBQOSA-N 457.537 3.942 5 40 JHBB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 101112592 LYPNGYSKAYHGLJ-FKBYEOEOSA-N 463.421 3.794 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408650349 MJBXWMYIIFZEII-IEBWSBKVSA-N 481.892 3.830 5 40 JHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095417 XDEADLICNLNGPF-OAHLLOKOSA-N 467.499 3.536 5 40 JHBB biogenic Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 2653322 FSEMBVDEYPJDOB-UHFFFAOYSA-N 487.465 3.639 5 40 JHBB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 6904328 ZUGFNCHNDWWBGB-YKUCYRFJSA-N 470.481 3.765 5 40 JHBB O=C1N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8722168 OWKLQGXVSGXMJO-NRFANRHFSA-N 464.503 3.797 5 40 JHBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 9119939 FEHKGIVDDGABLN-UNMCSNQZSA-N 487.940 3.740 5 40 JHBB O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 9236063 WEPDJTNPXHRBCG-PYCASWLRSA-N 471.391 3.788 5 40 JHBB COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c(C)cc1[N+](=O)[O-] 9439650 FSTCFQNNEUPNLE-UHFFFAOYSA-N 483.337 3.922 5 40 JHBB COc1cc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c(C)cc1[N+](=O)[O-] 9544909 BGPMJVNGESGLJC-UHFFFAOYSA-N 478.534 3.692 5 40 JHBB O=C([C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 9684154 ZXPABMQDAHDVET-JOCHJYFZSA-N 473.551 3.512 5 40 JHBB CC1CCN(S(=O)(=O)c2ccc(N3CCCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)CC1 9913980 CWFGIGFYOHMSBY-UHFFFAOYSA-N 472.611 3.728 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10336328 DQSQWPDUQLENIG-UHFFFAOYSA-N 473.482 3.961 5 40 JHBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc12 22707725 IZFJRCBPDJSYBC-UHFFFAOYSA-N 471.564 3.785 5 40 JHBB COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1cccc(Br)c1 62577394 LKUFTUIXTUANCL-MRXNPFEDSA-N 471.329 3.557 5 40 JHBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222840920 ZSDJFVXQNNUREJ-XMMPIXPASA-N 461.518 3.532 5 40 JHBB C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222990361 SENJZCOMFVPFJB-QGZVFWFLSA-N 459.568 3.897 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408648681 KBUIZDBPMLHJBW-BJZITVGISA-N 483.908 3.910 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl 408660271 NHVZLUXYQPEGKU-LLVKDONJSA-N 485.802 3.802 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409151218 HCXGVJAOHQWSON-JAIQZWGSSA-N 492.469 3.789 5 40 JHBB Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2498197 XBQHODQABCWXLN-VIFPVBQESA-N 484.376 3.566 5 40 JHBB CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C 9129184 QABPEIJJCONUHH-OFVILXPXSA-N 464.522 3.907 5 40 JHBB Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)cc1 9186965 LVGUGHMMFOGLPS-GJZUVCINSA-N 470.485 3.906 5 40 JHBB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 9518653 LNFVXIHZODANFH-UHFFFAOYSA-N 491.913 3.609 5 40 JHBB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)ccc21 12635633 QSNCCJXMYCEKBW-UHFFFAOYSA-N 476.489 3.922 5 40 JHBB COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15676032 JRKOVWZWIUCTOT-IBGZPJMESA-N 461.438 3.708 5 40 JHBB biogenic,in-vitro Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742234 RESTWYWUKJAOFE-UHFFFAOYSA-N 477.568 3.652 5 40 JHBB COc1ccc(-c2nc3c(n2C(C)=O)SC(c2cccc([N+](=O)[O-])c2)=NN3C(C)=O)cc1 16807281 SZYDBUYPVAWXPM-UHFFFAOYSA-N 451.464 3.947 5 40 JHBB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 27016824 GLLFXCSCCYGPNG-OAQYLSRUSA-N 460.446 3.600 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3cc2c1=O 40399101 DXYGBDQZALLMAL-GXZWQRSESA-N 475.549 3.906 5 40 JHBB CC1=C[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 101447055 GJFQMAPHCKNEHN-MYGLTJDJSA-N 459.502 3.852 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccco1 248126507 VFMPYJZDCPVAIX-FDTGPBLFSA-N 469.453 3.769 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408676642 BBOVRRAOSBTFCT-SLUIBLPYSA-N 453.882 3.837 5 40 JHBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)C(C)C)cc1 409169606 RBXDXCVIZGZXKT-FQEVSTJZSA-N 498.565 3.595 5 40 JHBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 3339156 VPDFTDDXHZBWDW-UHFFFAOYSA-N 458.423 3.574 5 40 JHBB Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 9647496 CQSAVCZAKQZYJJ-DENIHFKCSA-N 485.610 3.955 5 40 JHBB C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 10449717 SRJBQQIEFJYFES-KRWDZBQOSA-N 451.504 3.768 5 40 JHBB CC(C)Oc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 22429732 YVTKHRBRVOBIDM-UHFFFAOYSA-N 483.546 3.894 5 40 JHBB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22713729 RYOATALVSZKACF-UHFFFAOYSA-N 477.546 3.544 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] 408673286 ZNOHCMRUJTVPAW-GFCCVEGCSA-N 466.277 3.745 5 40 JHBB CCOc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409167499 IRPKMZGXBIBHSK-HXUWFJFHSA-N 498.565 3.970 5 40 JHBB Cc1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409335880 PVNHFJZMOGANSY-UHFFFAOYSA-N 470.463 3.645 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2434939 MKBWZPZUNDGVLC-UHFFFAOYSA-N 487.560 3.981 5 40 JHBB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14269263 IKXFTGFSZSLHBM-UHFFFAOYSA-N 456.553 3.608 5 40 JHBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18178334 KFACZZMHGZERSN-FSSWDIPSSA-N 474.429 3.863 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2OC)cc1 19856559 OYOTWCMCQZDRTR-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1[N+](=O)[O-] 138643743 RYROFRPSXULHGB-QGPMSJSTSA-N 480.473 3.569 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 205766037 OTDMASBPEIFEMP-YBFXNURJSA-N 472.475 3.782 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225085361 WNVJDARVTCEEHB-ZWKOTPCHSA-N 457.527 3.623 5 40 JHBB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225443159 YAUWEIYMVJJYOX-CQSZACIVSA-N 480.384 3.754 5 40 JHBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)C)cc1 225667427 OCCWWQFSBDNVGR-QGZVFWFLSA-N 459.568 3.779 5 40 JHBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 408529832 JPNBODPMAGLHBA-IUXPMGMMSA-N 458.883 3.675 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641779 MWAPZLLSJYJRCH-MRXNPFEDSA-N 455.467 3.552 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 103932767 CGCRXLSKRHHLNI-KJJMTIBFSA-N 459.502 3.908 5 40 JHBB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57466695 XOBYPBPOPIUVJI-HNNXBMFYSA-N 469.929 3.954 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c([N+](=O)[O-])c1 2326374 AKKGHMQPICIIMQ-UHFFFAOYSA-N 458.478 3.927 5 40 JHBB Cn1nccc1[C@H]1CCC[N+](Cc2cnn(-c3ccccc3)n2)(Cc2cnn(-c3ccccc3)n2)C1 65502801 NLHXMSJODGYXAI-QFIPXVFZSA-N 480.600 3.676 5 40 JHBB Cc1nc(-c2ccc3c(c2)CCN3c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cs1 9716753 FGFGBJHYVXCBMX-UHFFFAOYSA-N 486.575 3.742 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(CCSc2ccccc2)CC1 36397250 LPXYMZZBQOKUPS-UHFFFAOYSA-N 490.651 3.684 5 40 JHBB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 33643757 IMAHFOIWGHXRQS-GHMZBOCLSA-N 450.469 3.735 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222817595 WTSOQGSHUCVCLG-OAHLLOKOSA-N 477.945 3.968 5 40 JHBB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=c1\sc2nc3ccccc3n2c1=O 9275662 BLRYNGHWHKAKGN-HAHDFKILSA-N 489.509 3.832 5 40 JHBB Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2nc(N3CCOCC3)c3c(c12)CCCC3 9428286 IJDQBZGENHCBOT-UHFFFAOYSA-N 453.524 3.754 5 40 JHBB COc1cc(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(OC)c1OC 9670520 XCDIFWPNKSXHCS-UHFFFAOYSA-N 486.399 3.754 5 40 JHBB CC(C)C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 12562497 QQIURNAMESHFSE-LJQANCHMSA-N 486.535 3.693 5 40 JHBB COCCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(OC)c(OC)cc21 101035709 XXPXHLAPDLKMKP-VZCXRCSSSA-N 451.888 3.669 5 40 JHBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225544166 LEOSJPLKYDYXIQ-XMMPIXPASA-N 491.544 3.677 5 40 JHBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccco1 2094528 KVKFLNQBCBCLRO-URXFXBBRSA-N 456.458 3.554 5 40 JHBB biogenic O=[N+]([O-])c1cnn(Cc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1 2730113 PPEPCCINZZPOOP-UHFFFAOYSA-N 451.299 3.986 5 40 JHBB COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=c2\sc3nc4ccccc4n3c2=O)c1 27531798 VXFCJZIIAMOMQS-UCQKPKSFSA-N 489.509 3.832 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408659428 VSYBXJPFENTIKK-LSBZLQRGSA-N 483.908 3.910 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408676563 ARZJLIFDZUXTCF-HZPDHXFCSA-N 486.868 3.889 5 40 JHBB COc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@@H](C)C(=O)O 409247209 CMFIBRKESGLSBH-NJPLLEPOSA-N 458.448 3.692 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409344091 JEVHTSBDRZQHLZ-ZJYIUVRYSA-N 489.553 3.680 5 40 JHBB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c([N+](=O)[O-])c1 8717174 QSZGQBSFZBWVTH-LBPRGKRZSA-N 471.539 3.560 5 40 JHBB COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 16226833 RGOYCPMBPNZPFX-UHFFFAOYSA-N 469.350 3.747 5 40 JHBB COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1nccn1C 17591354 SWBGAHVNUPSNSN-FQEVSTJZSA-N 473.555 3.615 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20518801 RRANEJOVMWVIMH-XOEOCAAJSA-N 490.516 3.948 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 23568302 GJCGOEUYKXJUDW-UHFFFAOYSA-N 463.372 3.607 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 59677812 JQLSLXBRLPWYRQ-CVGPFBNFSA-N 491.569 3.830 5 40 JHBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731456 MTAWDSHHUPHTKS-NRFANRHFSA-N 471.535 3.928 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1O 409353836 SKNIYKKKHUFZCJ-ZDLGFXPLSA-N 471.491 3.991 5 40 JHBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N2CCOCC2)cc1 9215708 GOLKPZQRWPZFHF-JWGURIENSA-N 461.474 3.793 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1 9307483 QQHOFMDTDRGQOR-BDTNDASRSA-N 474.429 3.550 5 40 JHBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(Cl)c1C 12629362 OGRKJAOAIUKCGC-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(C3CC3)C(=S)N=C2O)[C@H]1c1ccccc1 13842516 CVEMJILOHWSCIO-XXBNENTESA-N 450.520 3.951 5 40 JHBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20153094 SGUQPIDGYZLSRO-UHFFFAOYSA-N 472.523 3.665 5 40 JHBB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 138722581 VJRAPZVMENTYAM-UHFFFAOYSA-N 478.299 3.956 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1Cl 409360661 PCVMVZKXCMJFPR-UHFFFAOYSA-N 467.931 3.605 5 40 JHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 9496911 RXGWTVUJINWYLY-UHFFFAOYSA-N 485.518 3.538 5 40 JHBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 14274440 FDXFFXKQLBURLT-UHFFFAOYSA-N 499.574 3.690 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 19856661 OMGBEDRVOSLLGD-UHFFFAOYSA-N 470.463 3.645 5 40 JHBB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 22814304 YPOMVAROKRIUQM-UHFFFAOYSA-N 477.564 3.918 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccco1 100820908 JSDFONGTODYTJO-QYQHSDTDSA-N 460.490 3.665 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 8914913 BTNRDFMYSKUGPI-QGZVFWFLSA-N 458.467 3.823 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCCOc2ccc(Br)cc2)c([N+](=O)[O-])c1 9662161 ANMNYADYZCCTOI-UHFFFAOYSA-N 473.345 3.846 5 40 JHBB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 14401935 YXEOTHMWXICNCC-UHFFFAOYSA-N 499.545 3.694 5 40 JHBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 20486627 LZSQXXZIXHVRFO-UHFFFAOYSA-N 481.939 3.991 5 40 JHBB COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 22998429 XKGVYEHYJHZSBJ-VMPITWQZSA-N 468.535 3.592 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=Cc3ccccc3[C@@H]21 101343972 ROWCZIRSIKFAAQ-KIHHCIJBSA-N 498.470 3.804 5 40 JHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 217846028 SNAIXWGWRZKBQP-HBMCJLEFSA-N 460.402 3.554 5 40 JHBB O=C1N/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 408953463 PSVXVJXTYPWKIH-SDQBBNPISA-N 471.061 3.806 5 40 JHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409368397 UEHDZVSOJJVAEL-ZRDDSIGQSA-N 459.389 3.519 5 40 JHBB CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(OCC)c1OCC 8902400 UJELPBHUJKQJIZ-UHFFFAOYSA-N 459.499 3.880 5 40 JHBB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 9127964 WIQXLMODOTXJLR-JOCHJYFZSA-N 462.458 3.546 5 40 JHBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c(OC)c1OC 15167528 KXFWOFPPBNRULT-MRXNPFEDSA-N 493.582 3.678 5 40 JHBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2NC(=O)c3ccccc3O2)C1 253568890 LTRWAEZFJYUKCG-MWTRTKDXSA-N 452.511 3.501 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408652062 OCROXBPKJJODSA-PBFVBANWSA-N 481.892 3.519 5 40 JHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1C 409360882 OVPBRFWNQOUVTG-WSVATBPTSA-N 455.448 3.615 5 40 JHBB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CCC2=O)c1 9397772 RKFSOFVGAYJMSK-UHFFFAOYSA-N 458.858 3.530 5 40 JHBB CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1-c1ccccc1 22998049 ILRUKBSPVHZSIK-UHFFFAOYSA-N 490.516 3.607 5 40 JHBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 32115500 UCPIDDHAUIXRCK-UHFFFAOYSA-N 475.483 3.767 5 40 JHBB CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223655642 KOTYFXSSFKZFMB-OAQYLSRUSA-N 491.610 3.941 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 408637432 KJGCNMHQRWVCDA-IBGZPJMESA-N 488.452 3.593 5 40 JHBB COc1ccccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409353946 VDZVSUDDYXWUGC-UHFFFAOYSA-N 463.903 3.695 5 40 JHBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 3256400 ZKCWZEPIKHZJAO-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 3569804 PCZWDUBZCMUABF-UHFFFAOYSA-N 475.910 3.988 5 40 JHBB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9957506 KLGRPPMKDXJOTQ-NRFANRHFSA-N 485.518 3.522 5 40 JHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 10898770 CXFLQEIHCPOPEM-UHFFFAOYSA-N 491.529 3.854 5 40 JHBB Cc1csc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)n1 15140628 QOGKQTKPVUHJLS-UHFFFAOYSA-N 461.521 3.840 5 40 JHBB COc1ccc([C@@H]2[C@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 16037880 OGWHSRIFGMCRDG-OJJQZRKESA-N 467.485 3.793 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18167434 SNAIXWGWRZKBQP-QHAWAJNXSA-N 460.402 3.554 5 40 JHBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 33408458 SLSKUFUNSCUENG-ZDUSSCGKSA-N 488.957 3.907 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408648150 JRPROJJMYUZAKK-QPAOKJHLSA-N 477.517 3.953 5 40 JHBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408648203 JTHUOYUSFPTQQO-GVCQBIPESA-N 493.903 3.684 5 40 JHBB COc1cc(NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 855933 XLQMPAMLJYRGRV-UHFFFAOYSA-N 458.356 3.979 5 40 JHBB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9604170 PXGQUOPTDAPQSY-DHZHZOJOSA-N 456.524 3.830 5 40 JHBB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 10694316 NJAMGFQIPWPNFJ-CYBMUJFWSA-N 483.999 3.856 5 40 JHBB CS(=O)(=O)c1ccc(NCCNC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 16144325 NMXDVMWUCZGMEB-UHFFFAOYSA-N 475.498 3.558 5 40 JHBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 32576781 ZFKIQLFDZGKBDV-OAHLLOKOSA-N 455.467 3.540 5 40 JHBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(CCO)Cc2ccccc2)c([N+](=O)[O-])c1 72272753 LDPRALIRFZMKJF-UHFFFAOYSA-N 455.536 3.809 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=Cc3ccccc3[C@@H]21 103973540 DMPVFPMIFJRWHE-KIHHCIJBSA-N 480.480 3.665 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 138654042 FFWWHNKGHFROAI-FEBSWUBLSA-N 496.863 3.521 5 40 JHBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222584856 XATKXLFIHRTJMV-QHCPKHFHSA-N 495.507 3.507 5 40 JHBB CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2N)cc1 8781176 IJMYXARQGMMUGJ-UHFFFAOYSA-N 472.552 3.683 5 40 JHBB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)scc12 9381687 RXBYSFGXLARSDE-UHFFFAOYSA-N 494.485 3.793 5 40 JHBB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1 9768080 LLEIKEVHUWMYJA-UHFFFAOYSA-N 482.559 3.813 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c2ccncc12 14100130 NKJKMXPEIRCDHS-UHFFFAOYSA-N 467.334 3.961 5 40 JHBB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 15108304 KVVHTUOMGIGLFP-NRFANRHFSA-N 464.478 3.549 5 40 JHBB O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)n2)cc1 31653118 JOPBXTZULWQQNE-UHFFFAOYSA-N 467.839 3.700 5 40 JHBB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 103458967 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O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 9127963 WIQXLMODOTXJLR-QFIPXVFZSA-N 462.458 3.546 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2068068 DCNWIISCEJDTDP-UHFFFAOYSA-N 479.401 3.804 5 40 JHBB COc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2339976 JUJDXLJFHOOOCA-UHFFFAOYSA-N 468.469 3.881 5 40 JHBB COc1cc(OC)cc(C(=O)N2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2)c1 12418246 JIMNKATXCDCSIS-UHFFFAOYSA-N 454.508 3.698 5 40 JHBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522726 DAUXALYUWIHTAI-UHFFFAOYSA-N 480.443 3.551 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 19869067 GXNSOJIHFKOTEH-UHFFFAOYSA-N 457.439 3.557 5 40 JHBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3cc(Cl)cc(Cl)c3)[nH]c2=O)N1 40399484 GUFQVCVYVDAZQI-AWEZNQCLSA-N 489.275 3.793 5 40 JHBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224401900 CCEFFMXXFISGKM-NRFANRHFSA-N 487.528 3.988 5 40 JHBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)cc1[N+](=O)[O-] 409181053 ZRJKOVIFLCVXBL-MSVKLTOBSA-N 496.475 3.660 5 40 JHBB CCCCCn1nc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2c1=O 3519626 BSHHEMUYNUHIIO-UHFFFAOYSA-N 453.451 3.718 5 40 JHBB COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)n2nnc3ccccc32)cc1 9380083 OGWHSRIFGMCRDG-ZYQDXHPFSA-N 467.485 3.793 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503855 KGRZGDBOHHDFST-QFIPXVFZSA-N 451.506 3.747 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 15972666 PFPUIGUNWPTKRQ-LZECLLPCSA-N 471.469 3.699 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 6088935 GHSNPFVQQKAHDL-UHFFFAOYSA-N 456.436 3.865 5 40 JHBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 57315668 JFLAOFOQSCHNTQ-UHFFFAOYSA-N 495.580 3.622 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101122411 NLGALBWDAKEGNX-NFFVHWSESA-N 458.518 3.676 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O 408628095 TUYWVCXRJPQCGQ-UHFFFAOYSA-N 481.836 3.680 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408662892 MXHANQOOCGOVPL-MAODMQOUSA-N 491.500 3.541 5 40 JHBB Cn1c(-c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 12531888 RRAGYZVHLTXAAF-UHFFFAOYSA-N 477.864 3.960 5 40 JHBB Cc1ccc(NC(=O)[C@H](OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)c([N+](=O)[O-])c1 12660214 QMBDRBIALAPNSY-KSFYIVLOSA-N 487.468 3.811 5 40 JHBB COc1ccccc1[C@@H](c1nnnn1CCC(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505360 VUBWYUCGJCTMOB-QHCPKHFHSA-N 465.558 3.548 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(Cc2cccc3cccnc23)CC1 14813652 CQODXKMKDKEVKT-UHFFFAOYSA-N 495.605 3.640 5 40 JHBB CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCCC)C1c1cccc([N+](=O)[O-])c1 26891857 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O=C1[C@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccc2ccccc2c1)[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@@H]31 247331576 PAIAUZTXCXMHPH-YPFPNKMGSA-N 453.454 3.923 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-] 9064938 LXOOZDDNCHNHJC-UHFFFAOYSA-N 469.273 3.791 5 40 JHBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 9397858 SIMVTORJCKVTDG-RUZDIDTESA-N 474.473 3.580 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2n1 25347536 RSTMGKQYWWIOBA-UHFFFAOYSA-N 453.480 3.664 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408646913 JBYJICRSGBPCIC-MYHSIESUSA-N 475.501 3.645 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408686531 RQSSPNVGSSZQIL-CPLUKWAASA-N 451.866 3.613 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182411 LTTIVDPQOJFFFD-PRWBYUBPSA-N 497.960 3.668 5 40 JHBB CCS(=O)(=O)N1CCC[C@@H](c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)C1 13644014 HTMITOSKSOLQDB-LLVKDONJSA-N 466.539 3.662 5 40 JHBB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 18191219 YSTAJWAHKMYYBX-UHFFFAOYSA-N 476.474 3.667 5 40 JHBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 20435800 ZKDZMOBLFNGDLW-UHFFFAOYSA-N 467.265 3.798 5 40 JHBB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 22753261 VFPQCUSZUVYVBY-UHFFFAOYSA-N 494.529 3.897 5 40 JHBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408655082 CRJXOSJIZLZVCM-KPOBHBOGSA-N 479.489 3.624 5 40 JHBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(C(F)(F)F)c1 409028904 SXSOGVWRAIINKB-UHFFFAOYSA-N 451.810 3.672 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O 409340875 BIAVCJJXVICHKE-ZDLGFXPLSA-N 471.491 3.991 5 40 JHBB Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 3849288 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O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408659631 WECNLNQQSDENRY-LRGYGIHKSA-N 481.892 3.519 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408683798 MEIXGIYLPPMLMW-RTBURBONSA-N 484.306 3.866 5 40 JHBB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 8685305 UMMGWVTUEFGFAX-UHFFFAOYSA-N 478.479 3.523 5 40 JHBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 8831527 ITMQZLLHVJBYQT-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1Cl 9252365 IJRYLHAZNIQLDN-CQSZACIVSA-N 467.931 3.686 5 40 JHBB O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 16736832 UXHULONJLYELGD-UHFFFAOYSA-N 458.521 3.755 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820841 FFEOOFPMKBUHOH-NFFVHWSESA-N 458.518 3.676 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(NC(C)=O)cc1 408674674 FERUPFQWTKRNSQ-UHFFFAOYSA-N 470.511 3.571 5 40 JHBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409315388 IPYMIOCOTPWBDY-DJWKRKHSSA-N 471.338 3.584 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=Cc3ccccc3[C@@H]21 9353068 FIJHVXBCEJWKML-KIHHCIJBSA-N 498.470 3.804 5 40 JHBB COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])cc1OC(F)F 12931313 ICGBUJJZEDLRQJ-UHFFFAOYSA-N 480.449 3.903 5 40 JHBB CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409228560 BOBCPIGSLLGSKN-LZYBPNLTSA-N 476.283 3.858 5 40 JHBB CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)c1 9707947 LMECNYMVXVCEFI-UHFFFAOYSA-N 476.580 3.597 5 40 JHBB COc1ccc([N+](=O)[O-])cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 12523921 FUDJTQCDFRGNPB-UHFFFAOYSA-N 496.461 3.999 5 40 JHBB CCOc1cc2c(cc1NC(=O)CN1CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC1)O[C@@H](C)C2 12591997 VBILUWYMMSPNPW-HNNXBMFYSA-N 474.945 3.731 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 22475848 FLSLHKDWDKMVQD-UHFFFAOYSA-N 476.555 3.609 5 40 JHBB CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 27017669 YLKFRFVCJKSWPI-NRFANRHFSA-N 474.473 3.990 5 40 JHBB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 33510112 QMFFHOLXSUHNDC-LICLKQGHSA-N 461.883 3.723 5 40 JHBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 57222823 LIPAZFFYNVSOCV-UHFFFAOYSA-N 474.517 3.956 5 40 JHBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 58865127 YWOKQAFSJTYMSC-XSZPGNIMSA-N 481.533 3.933 5 40 JHBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408906528 GQZUHHXLCMVHBG-UHFFFAOYSA-N 491.547 3.822 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C 12525851 GWQVJGWLLMBLJS-UHFFFAOYSA-N 491.547 3.822 5 40 JHBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCC[C@@H]2CCCC[C@H]21 14598219 YLKNIHFHNYKTOY-HNAYVOBHSA-N 469.991 3.830 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1[N+](=O)[O-] 16693009 JBEPTQUFOXKUOK-UHFFFAOYSA-N 468.285 3.581 5 40 JHBB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 18979701 HCLLGLXQPQWWCK-GFCCVEGCSA-N 483.399 3.786 5 40 JHBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22565357 ZHBCAOCFOJHPIU-UHFFFAOYSA-N 458.540 3.561 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cccc(C)c1 100820963 LROZDAYHFMEACX-ZXPTYKNPSA-N 492.535 3.924 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223074221 BOYMRMZLOJQMCA-CVEARBPZSA-N 477.945 3.968 5 40 JHBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223238943 BKBYMSJZYCUXEA-VXKWHMMOSA-N 450.568 3.705 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1C 408658978 VJDAHRNYLUFTMK-QDXIBXLOSA-N 499.523 3.505 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1[N+](=O)[O-] 9959039 SCSZMDWQAWTRJB-UHFFFAOYSA-N 490.427 3.726 5 40 JHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16399699 BKEYIKJUFGJAFY-QPJJXVBHSA-N 450.373 3.884 5 40 JHBB O=C(c1ccccc1I)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16449242 CMZJJORQHMNFNU-UHFFFAOYSA-N 471.682 3.815 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 35851980 WDKSHQXVVHSSAZ-HXKBJWFLSA-N 490.516 3.948 5 40 JHBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223238620 QOKOFAZVBJNKSV-MGPUTAFESA-N 475.567 3.514 5 40 JHBB Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 891839 AVXJZGNKBHHBFH-UHFFFAOYSA-N 453.476 3.729 5 40 JHBB COC(=O)c1cc(C(=O)OCc2csc(-c3ccc(OC)c(OC)c3)n2)cc([N+](=O)[O-])c1 21332689 LLXBLBAAWDCBJQ-UHFFFAOYSA-N 458.448 3.879 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 108165661 WSHGDFQHCRAVJS-UHFFFAOYSA-N 471.491 3.730 5 40 JHBB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223836339 KMBWRAJTEMBOCF-HNNXBMFYSA-N 463.918 3.579 5 40 JHBB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 408549192 QNSAPGDPEFJJDP-LZYBPNLTSA-N 480.260 3.546 5 40 JHBB O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409127868 KEDMMUWHXFGSDC-MLPAPPSSSA-N 453.226 3.738 5 40 JHBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2)c1[N+](=O)[O-] 9295509 KWSXCKZRGSQXJU-NYYWCZLTSA-N 464.478 3.916 5 40 JHBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 12949975 FXYCRPALNXTOED-GKBBYZSKSA-N 455.470 3.733 5 40 JHBB COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504919 LNGXJPPWDZHLIH-VWLOTQADSA-N 485.548 3.550 5 40 JHBB CCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)cc1 16701213 PAYWFKRJXZCPSR-DEDYPNTBSA-N 460.471 3.933 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3226616 XTWSVMTVQXNKIK-HNNXBMFYSA-N 467.503 3.996 5 40 JHBB CCCCCn1/c(=N/C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 9222208 HTYSAEBNVGKELX-RMLRFSFXSA-N 488.544 3.766 5 40 JHBB CCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] 9985488 OQPJPEBOVWEPRY-UHFFFAOYSA-N 450.289 3.775 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 12998107 DUQPRLMDWHXWGU-UHFFFAOYSA-N 475.542 3.634 5 40 JHBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(CCCNC(C)=O)cc1 23297296 RFDARDVKSPPLFP-UHFFFAOYSA-N 455.511 3.549 5 40 JHBB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1[N+](=O)[O-] 40372745 DVWYAEPNQGFHEC-OAQYLSRUSA-N 456.462 3.765 5 40 JHBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100887074 VBVWROWRQDQKRV-ZLNRFVROSA-N 475.457 3.663 5 40 JHBB CCCCn1/c(=N\C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101150208 VOOHXSPQNFJBEC-WMMMYUQOSA-N 494.498 3.954 5 40 JHBB CC[C@@H](C(=O)NCc1cccc2ccccc12)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222886336 KOBCQMXLGFKDLC-NRFANRHFSA-N 455.536 3.917 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224843909 MQEZBDVGZXFESI-QGZVFWFLSA-N 487.528 3.988 5 40 JHBB COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396702 SBUOIEGBGAQLQH-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)NC(N)=O 8686251 YNXRJAKIKJRXBY-VIFPVBQESA-N 453.402 3.628 5 40 JHBB CCCn1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c1C 8692310 OMKFMQYQKWDCSC-UHFFFAOYSA-N 451.545 3.715 5 40 JHBB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 8996631 JUZRQEAPTMEMDF-HZHRSRAPSA-N 489.509 3.832 5 40 JHBB O=C(Nc1cc2c(cc1C(=O)c1ccc(F)cc1)OCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13945486 MXRZJKMAVPRSRF-UHFFFAOYSA-N 467.365 3.897 5 40 JHBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1nnc(-c2ccccc2)o1 3450098 NHVXQNQPSAVOLF-KRWDZBQOSA-N 490.925 3.893 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 12977548 CTAYBXUOYBRFFR-MISYRCLQSA-N 463.600 3.779 5 40 JHBB CCOc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c([N+](=O)[O-])c1 20176150 HFIJEYNECLNAFF-UHFFFAOYSA-N 497.364 3.681 5 40 JHBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)c2ccccc2O1 46086318 GKHKDEMCOXTBKM-INIZCTEOSA-N 483.502 3.589 5 40 JHBB O=C(N[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21 51943794 GLJCJFFDYXFRQX-OAQYLSRUSA-N 492.444 3.907 5 40 JHBB biogenic,in-vitro O=[N+]([O-])c1ccc(NC[C@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 100177720 HWJKKIADPFMTDV-JTQLQIEISA-N 479.755 3.968 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 100575510 RUERPHPBPQRPKR-VOBQZIQPSA-N 450.447 3.560 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)O 214903561 MELVLWSCTAJZDL-VCHYOVAHSA-N 458.448 3.693 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222706026 BMARCZQBFKKOFQ-KRWDZBQOSA-N 457.527 3.623 5 40 JHBB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223136642 AKTYGVFIFXGLFP-SFHVURJKSA-N 457.527 3.624 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)C(C)(C)C 248078391 CGCRXLSKRHHLNI-CLAROIROSA-N 459.502 3.908 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408665804 ZLNNKMVEIMXPJY-VOBQZIQPSA-N 483.908 3.910 5 40 JHBB COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C 409264313 DKYURUFKZHSOAR-UHFFFAOYSA-N 483.502 3.524 5 40 JHBB Nn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2scc(-c3ccccc3)c2c1=O 8824824 FOCMFJWEPDEPTI-UHFFFAOYSA-N 468.516 3.906 5 40 JHBB O=[N+]([O-])c1ccccc1[C@H]1c2c(-c3ccc(Cl)cc3Cl)nnc(O)c2Nc2nnnn21 10298173 HBJCFSMJPOBHKX-INIZCTEOSA-N 457.237 3.745 5 40 JHBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 18042680 KGWGQIKPAADMHU-UHFFFAOYSA-N 459.890 3.719 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c(C)c1 20456883 OITGKOUZXYDZOF-UHFFFAOYSA-N 475.548 3.954 5 40 JHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225125591 UTPRQGDOBNEZHQ-QZTJIDSGSA-N 457.527 3.623 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-] 408552648 MJIHCUOXWBMEOX-QGZVFWFLSA-N 469.519 3.960 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408640053 ADWFNAZDCJBGIP-YMTYPPQLSA-N 481.892 3.686 5 40 JHBB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641778 MWAPZLLSJYJRCH-INIZCTEOSA-N 455.467 3.552 5 40 JHBB Cc1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409172316 CFYLXRCUHGRALT-LJQANCHMSA-N 468.539 3.879 5 40 JHBB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 8929285 FYUMUWQJTNVALM-UHFFFAOYSA-N 479.832 3.844 5 40 JHBB CC(C)OC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl 10815525 YOYVWRVINOQTIR-HXUWFJFHSA-N 475.929 3.898 5 40 JHBB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 19171219 RJAZDUONLNAYOO-NLJOTIRTSA-N 484.512 3.666 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1cccc(OC)c1 102919551 HLTCSMOQGKPPNR-RMLRFSFXSA-N 488.544 3.540 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1 408672424 WOABYDCPHOLGDC-UHFFFAOYSA-N 463.490 3.788 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)cc1 2368997 OUQGVOXGDLXHCF-UHFFFAOYSA-N 470.554 3.513 5 40 JHBB COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)SCC2 9415817 YFMBBRPFGILANW-UHFFFAOYSA-N 470.532 3.528 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 13672696 RRZALTGSKWEIMR-OAHLLOKOSA-N 463.556 3.544 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(C(=O)O)c1O 20153275 VQZQHTHGQUJXTI-UHFFFAOYSA-N 472.523 3.670 5 40 JHBB COCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2cc(OC)c(OC)cc21 101035756 HAOJLPOKPFTAFL-VZCXRCSSSA-N 451.888 3.669 5 40 JHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 2118238 RNKSTJPKXBWOCP-HXUWFJFHSA-N 451.862 3.791 5 40 JHBB biogenic COc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)cc1 2390238 ISDSMQODUSOFDU-UHFFFAOYSA-N 465.564 3.605 5 40 JHBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C(C)(C)C)C2=O 9186222 FSYNNGJVBQNMLP-WNQOEEHFSA-N 468.554 3.788 5 40 JHBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9471114 AHHMOADMVQXMQH-UHFFFAOYSA-N 482.371 3.918 5 40 JHBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc12 10218871 VARGXJYIEFUDRD-UHFFFAOYSA-N 453.473 3.545 5 40 JHBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCN2C(=O)c3ccccc3C2=O)n1 13042556 FWAWEAAHEWCADR-UHFFFAOYSA-N 455.473 3.921 5 40 JHBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 14276304 LVEAWDDDNASKQR-UHFFFAOYSA-N 483.594 3.795 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 22247789 HOHUCKCSZHSFCW-JOCHJYFZSA-N 483.546 3.830 5 40 JHBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN21 36089848 IAXLBQNFSIAZQD-UDFVPUEDSA-N 484.512 3.907 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223652838 WXXWBQPPBPBOPQ-KRWDZBQOSA-N 477.583 3.550 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408565394 KGJMDEKBABPRQW-YQIFXUADSA-N 477.492 3.935 5 40 JHBB COCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2619296 FDYZLCFLYGYUOV-LBPRGKRZSA-N 462.915 3.724 5 40 JHBB CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328715 SHTRMHWKSOGBMN-UHFFFAOYSA-N 474.930 3.520 5 40 JHBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCN1CCOCC1 15838090 NTKPEJLKHFJUTJ-OAQYLSRUSA-N 483.908 3.622 5 40 JHBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 21595762 FPMDMNOPGLGVAZ-UHFFFAOYSA-N 464.478 3.646 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccccc1)N1N=Cc3ccccc3[C@@H]21 248082087 DMPVFPMIFJRWHE-UARRHKHWSA-N 480.480 3.665 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408689660 YTMOUVQDYHZSKC-IAGOWNOFSA-N 484.306 3.866 5 40 JHBB O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccc(F)cc2)CC1 22564699 PSFAFQONAIQIFM-UHFFFAOYSA-N 457.893 3.590 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(CCSc2ccccc2)CC1 40135238 GELWWYUEVRJJOY-UHFFFAOYSA-N 475.514 3.803 5 40 JHBB CCCCn1/c(=N/C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102918828 NQSCMVHFUCQBLF-RMLRFSFXSA-N 472.545 3.984 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409244883 KAIFKBQAHBPKNL-KRWDZBQOSA-N 469.519 3.960 5 40 JHBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 9510724 WLSWDLRMGYNMLP-UHFFFAOYSA-N 460.556 3.868 5 40 JHBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154373 WFQSAMYUVVJECW-JXMROGBWSA-N 463.450 3.825 5 40 JHBB CC[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-] 107931664 SEJIRDKCJGZEGU-LWHXSLQUSA-N 477.857 3.898 5 40 JHBB COC(=O)/C=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 226337372 KTNNJBTXFPBKGT-VMPITWQZSA-N 469.231 3.973 5 40 JHBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 409179761 UVRDSUDHKGEIHV-FGEXJBCWSA-N 456.429 3.874 5 40 JHBB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409344285 IICVOBPMGNEMNG-UHFFFAOYSA-N 457.512 3.833 5 40 JHBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 409356752 HIVHCMOGJYXVNX-VGOFMYFVSA-N 467.381 3.696 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3277706 SPIHGRRYAVYSIO-HXUWFJFHSA-N 482.518 3.655 5 40 JHBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 9226675 XELDTUQAGMCXAI-QGZVFWFLSA-N 469.519 3.822 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1 9442263 VSNWERXLRYHIBF-UHFFFAOYSA-N 477.583 3.831 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519111 VRLKJAQZVVFGMN-XOEOCAAJSA-N 490.516 3.948 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 408558801 UCJOJKPLYMDBPJ-UHFFFAOYSA-N 481.958 3.995 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1O 409156014 KADVDWBRROQUGQ-LZYBPNLTSA-N 475.504 3.706 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 9960303 KMHIPNKGIHZYSO-JXFKEZNVSA-N 475.567 3.586 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 205701486 AJAOMYWEFAGDEW-VCHYOVAHSA-N 458.448 3.693 5 40 JHBB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 408660995 CEVFNMONAKTNCN-UHFFFAOYSA-N 484.690 3.911 5 40 JHBB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9126634 YDLNCUUGTNOHPY-UHFFFAOYSA-N 462.510 3.669 5 40 JHBB COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Br 16226588 HXXOTCCWBODDMH-UHFFFAOYSA-N 454.708 3.982 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224807446 GLEAIPQXCAUYMK-OAHLLOKOSA-N 463.918 3.579 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225663052 HDDFGJIUIUWYIQ-UZLBHIALSA-N 475.517 3.843 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408654302 QJQSAALNMUBHEG-QPAOKJHLSA-N 475.501 3.729 5 40 JHBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408661785 CPEHYMLANXZJSA-UHFFFAOYSA-N 485.493 3.698 5 40 JHBB CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 408705357 CXHOBRSEHUZIME-UHFFFAOYSA-N 491.547 3.904 5 40 JHBB Cn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328989 QKYYTKVAVOQXIM-UHFFFAOYSA-N 474.930 3.679 5 40 JHBB CCOC(=O)C1=C(C)Nc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2[C@H]1c1cccnc1 9393872 RAWRFCOHQZNWNH-SFHVURJKSA-N 479.518 3.760 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 9404249 LMFZREGGEDMEPN-UHFFFAOYSA-N 453.476 3.607 5 40 JHBB Cc1ccc(C)c(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 223985655 QTXGKGYIUMTSHZ-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1 408623396 QMFLJMIXGYRHDG-UHFFFAOYSA-N 461.540 3.956 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409223672 JEXUZPBUKNEWIU-LZYBPNLTSA-N 463.265 3.982 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 8739300 BTNRDFMYSKUGPI-KRWDZBQOSA-N 458.467 3.823 5 40 JHBB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 9209552 JQXIKWXARFCYJB-ZPZUNKDASA-N 469.538 3.919 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14270371 GDYVNTRHPZONFK-UHFFFAOYSA-N 471.322 3.571 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1OC 16227543 XBJGJGLFPFLXQE-UHFFFAOYSA-N 489.481 3.585 5 40 JHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc2c(cc1Br)OCCO2 24780590 GMFRFQMLWNMAOI-LBPRGKRZSA-N 450.289 3.760 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26223741 HLGMTBFRCLFNFQ-UHFFFAOYSA-N 487.866 3.821 5 40 JHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1C 409354424 FHDLZXPRVFUYJU-ODLFYWEKSA-N 487.559 3.971 5 40 JHBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 1876223 OZGVUEVAXOPQTP-UHFFFAOYSA-N 492.517 3.781 5 40 JHBB COc1ccc(-c2nnc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)o2)cc1 9062227 ONQAPMFQDDHCOI-UHFFFAOYSA-N 495.473 3.707 5 40 JHBB O=C(CSc1nnc(-c2ccc(I)cc2)o1)Nc1cccc([N+](=O)[O-])c1 9200453 GSXTWZLVWAHHGI-UHFFFAOYSA-N 482.259 3.980 5 40 JHBB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9634187 WMFWYRPYEJZKDQ-JTQLQIEISA-N 473.791 3.567 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCc3sccc3[C@@H]2C)CC1 12806717 JUAUKHLDNCAFAF-HNNXBMFYSA-N 463.581 3.511 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 16042026 CZOFAXAGACQLKX-QJGCUMMJSA-N 494.507 3.609 5 40 JHBB biogenic O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 16400840 CEEDOYYPSBFHNQ-UHFFFAOYSA-N 456.421 3.590 5 40 JHBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c1 216458227 QKYMCKFGPDXRCP-UHFFFAOYSA-N 475.548 3.954 5 40 JHBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1C(C)C 260930963 LOKNCEOQYVGSBQ-MRXNPFEDSA-N 493.582 3.687 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408665070 ZIWCOZDVDHAHOJ-IEBWSBKVSA-N 481.892 3.830 5 40 JHBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N2CCOCC2)cc1 2316844 GOLKPZQRWPZFHF-CJLVFECKSA-N 461.474 3.793 5 40 JHBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)n2C 8745055 WYVSRPWUTNYFLK-UHFFFAOYSA-N 453.430 3.730 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1cccs1 9158056 LZOCWNUDZQIADE-YYADALCUSA-N 464.547 3.593 5 40 JHBB COc1ccccc1-n1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc([N+](=O)[O-])ccc21 9507969 WSKAOQSYGRLKOC-UHFFFAOYSA-N 481.490 3.653 5 40 JHBB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 12361709 IGBYVZNZFXXXER-JOCHJYFZSA-N 457.508 3.516 5 40 JHBB O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 25856567 OILZGKQJBUWCBG-QHCPKHFHSA-N 461.474 3.968 5 40 JHBB Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 30751311 JUXXSAIOZPTIIJ-UHFFFAOYSA-N 461.521 3.646 5 40 JHBB COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@H]1c1ccccc1OC 102754105 NEZDOKOVOUSLEG-IBGZPJMESA-N 494.529 3.983 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccc(C)c1 102918771 IFGNLVWNWQOMJY-WEMUOSSPSA-N 458.518 3.765 5 40 JHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 217410990 HVSLJCNNKSPPCA-NJYVYQBISA-N 460.402 3.554 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)cc1 57317185 OWZUHZLDIQPQED-UHFFFAOYSA-N 490.516 3.827 5 40 JHBB CCOCCn1/c(=N/C(=O)c2ccccc2I)sc2cc([N+](=O)[O-])ccc21 100873559 KXXXBVBVPRBCQU-ZZEZOPTASA-N 497.314 3.993 5 40 JHBB CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103459599 QNPDOFCZLATMOX-MBDNFAEBSA-N 459.502 3.852 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCCC1 408552832 VXPUYXWCNIRKCO-DEDYPNTBSA-N 467.503 3.833 5 40 JHBB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409189706 NHFUTWMPMAZZAT-VCHYOVAHSA-N 488.408 3.896 5 40 JHBB COc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 836561 DHFSDIJHRJOOPM-UHFFFAOYSA-N 464.430 3.904 5 40 JHBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)n(CCOC)c2nc3ccccc3nc12 3169370 CGMLERJQAGNJDH-UHFFFAOYSA-N 463.450 3.568 5 40 JHBB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 13137201 QWNWDIVWWZBRNY-UHFFFAOYSA-N 461.540 3.583 5 40 JHBB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 20098377 HVRXOWPHYTWYOQ-QHCPKHFHSA-N 491.577 3.611 5 40 JHBB Cc1c(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] 21762842 QBONKOBNUUAITA-UHFFFAOYSA-N 466.416 3.715 5 40 JHBB CC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 22653490 ITCUTRAZQDQIGC-IBGZPJMESA-N 489.370 3.907 5 40 JHBB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1=O 2664641 PIBHHLSOSHMNTE-UHFFFAOYSA-N 474.425 3.927 5 40 JHBB CSc1ccccc1NC(=O)CN(C)C(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9120047 ZZUOGRQJWFIDMP-UHFFFAOYSA-N 456.446 3.845 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 9907930 PCNVRQBDNZNIDA-UHFFFAOYSA-N 492.488 3.579 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 13667516 GNGNUDGQOOQGPB-UHFFFAOYSA-N 453.520 3.539 5 40 JHBB COCCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16045820 FOMYTASQFYABNY-UHFFFAOYSA-N 450.476 3.853 5 40 JHBB CC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 22653489 ITCUTRAZQDQIGC-LJQANCHMSA-N 489.370 3.907 5 40 JHBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1 35131342 BBOURLTVYGBYEB-FNORWQNLSA-N 488.250 3.544 5 40 JHBB CCOC(=O)C1CCN(c2ncnc(Nc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40618794 LTUHUUJWNMSYQK-UHFFFAOYSA-N 450.293 3.670 5 40 JHBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 100708083 OLSKTIPQEXMTGI-UHFFFAOYSA-N 470.554 3.513 5 40 JHBB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222636046 FAGKVQFTMPUJCT-SFHVURJKSA-N 473.507 3.530 5 40 JHBB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224556659 RLIXCHCYHAEAOG-NRFANRHFSA-N 459.568 3.780 5 40 JHBB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 408647860 XRIKJBGYQMQVNG-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl 409361885 RPNWNFXGGRZZTB-ZWSORDCHSA-N 475.866 3.960 5 40 JHBB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1[N+](=O)[O-] 89888086 CVYHLOHAGMKCGB-UHFFFAOYSA-N 477.539 3.818 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408648774 KFTDCVTZCXQKRN-MMACOIQUSA-N 481.892 3.686 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1 9447547 SUYYMIDTELSSEV-BKMJKUGQSA-N 470.485 3.593 5 40 JHBB COc1cccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 11142187 YJPZVIMEJKKNEJ-QFIPXVFZSA-N 487.578 3.676 5 40 JHBB CCn1c(SCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nnc1-c1cccs1 12542658 QMFGTKQEVXWZCX-UHFFFAOYSA-N 491.551 3.526 5 40 JHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868565 RYSVXMOKIOBWLE-UHFFFAOYSA-N 455.895 3.568 5 40 JHBB CSc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57517286 HWLFJBGXMZQVBD-UHFFFAOYSA-N 465.579 3.646 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 247351630 WCJWZSMIIAVBEH-YCAMKHIRSA-N 498.470 3.762 5 40 JHBB CCOP(=O)(OCC)[C@@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 5351269 PAWQXJOXGCBWOW-LLVKDONJSA-N 481.657 3.788 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1ccccc1=O 8984504 XJRPCYAEOQKCAM-DEOSSOPVSA-N 459.502 3.662 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064657 OGHMFWJFCNIKLA-UHFFFAOYSA-N 459.484 3.629 5 40 JHBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9334819 WZVJPBNAXZMBAF-OAHLLOKOSA-N 487.759 3.840 5 40 JHBB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 9493348 CAPPJXHESBLJOF-UHFFFAOYSA-N 477.473 3.970 5 40 JHBB CCc1ccc(-c2noc(COc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])n2)cc1 13117814 AYVNLOIVDVMSGF-UHFFFAOYSA-N 458.496 3.571 5 40 JHBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 13148269 DXFMOLVOLMFKGT-UHFFFAOYSA-N 488.387 3.942 5 40 JHBB CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101484398 QLOIBOOOXUQHLZ-NKOJSYJKSA-N 459.502 3.852 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1[N+](=O)[O-] 9631546 SEGZMMAPFAKPAG-UHFFFAOYSA-N 462.465 3.926 5 40 JHBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 10037786 KPRGPPCJWKCERK-QFIPXVFZSA-N 461.540 3.960 5 40 JHBB O=C(NC1CCN(C(=O)c2ccco2)CC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 11528487 WOYBFXLRLOLFQB-UHFFFAOYSA-N 494.470 3.844 5 40 JHBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22743015 VQUYFBIVRMTRJD-UHFFFAOYSA-N 485.566 3.687 5 40 JHBB CC1CCN(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 24271058 XZOGAOXQLGOCAW-UHFFFAOYSA-N 457.449 3.632 5 40 JHBB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Nc1cccc(N2CCCC2=O)c1 28961829 JMNWQIBGQHVWNB-UHFFFAOYSA-N 491.470 3.501 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 35165740 SDLRNEKMDVIMAG-KWNHSTDBSA-N 454.486 3.898 5 40 JHBB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 138916939 GJAGPGJFRHBASE-UHFFFAOYSA-N 485.493 3.761 5 40 JHBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222988502 RSXIMYHDXDGUET-KSFYIVLOSA-N 459.568 3.896 5 40 JHBB CCOC(=O)[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@@H](O)c1cccc([N+](=O)[O-])c1 16682149 QYJCUVUUALSSJZ-RPBOFIJWSA-N 460.486 3.879 5 40 JHBB CCOC(=O)/C(=C/c1ccc(NC)c([N+](=O)[O-])c1)C1=Nn2c(nnc2-c2cccs2)SC1 96792818 CLKCWXVLPBGYDS-UKTHLTGXSA-N 470.536 3.913 5 40 JHBB CCOc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 100840048 XNXJKHGEFJCZGR-RYRKJORJSA-N 483.527 3.539 5 40 JHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222547475 KYMGHHWZQRHPCW-LJQANCHMSA-N 477.945 3.968 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223157661 BMQZPGMLOIKYMN-GOTSBHOMSA-N 479.562 3.555 5 40 JHBB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 408926012 MLZDDPVPPJWRQK-UHFFFAOYSA-N 483.502 3.524 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(P(=O)(OCC(F)(F)F)OCC(F)(F)F)CC2)cc1 6444871 HOZBTTPQUFTAOG-UHFFFAOYSA-N 451.260 3.983 5 40 JHBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCn1ccnc1 8791881 QGJUMQHGJBZMCT-QGZVFWFLSA-N 465.513 3.762 5 40 JHBB biogenic Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 8831541 QDVQDCDKZJNSMP-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB Cc1ccc(Sc2ccc(C(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 9317396 DPJGOAAUOPEZNC-RTBURBONSA-N 490.603 3.863 5 40 JHBB CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 9509702 XCVBLBFKUPJHPR-UHFFFAOYSA-N 499.501 3.590 5 40 JHBB O=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1 9778570 ZEKSKYKGLQDAFP-UHFFFAOYSA-N 468.487 3.639 5 40 JHBB COc1cc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c([N+](=O)[O-])cc1OC(F)F 12477320 JQZLUOGCLUYGJD-FQEVSTJZSA-N 466.418 3.877 5 40 JHBB COc1ccccc1C(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 12691585 BZUSHFLZTIKQDD-UHFFFAOYSA-N 487.515 3.633 5 40 JHBB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225010169 NDSWXGJRHLAJEC-KRWDZBQOSA-N 459.568 3.780 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NCc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)c(C)c1 9112213 YUGZZOGVNUFQEW-UHFFFAOYSA-N 470.555 3.942 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(/C=C/c2ccccn2)c1 14095754 JSSYPBCLFMYANU-BQYQJAHWSA-N 466.519 3.925 5 40 JHBB O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274746 PTSUIQDLPNRAGZ-UHFFFAOYSA-N 496.330 3.926 5 40 JHBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20342395 VMZVIGVZKYOQRW-UHFFFAOYSA-N 466.519 3.814 5 40 JHBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 21578215 MIVNGIHLJFXEPX-UHFFFAOYSA-N 460.918 3.958 5 40 JHBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 22576373 AOPBBSUEJOJSRU-UHFFFAOYSA-N 465.944 3.598 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)OC 205700565 JVYKKOWCXRALKW-YBFXNURJSA-N 472.475 3.782 5 40 JHBB Cc1cc(C(=O)NCC(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)ccc1[N+](=O)[O-] 8690512 DWXREDBGXILZDT-UHFFFAOYSA-N 459.543 3.670 5 40 JHBB O=C(c1ccccc1)N1CCCC[C@@H]1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8753626 PQEKZTNHBDMRHE-SIKLNZKXSA-N 457.552 3.690 5 40 JHBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cc(C)ccc1C 9510111 CZZVMFARLBUTJI-SFHVURJKSA-N 493.969 3.898 5 40 JHBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC 12371187 QOGQBXLXAKNJRU-VWLOTQADSA-N 462.458 3.619 5 40 JHBB O=C(CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 31305105 FHHDEWJGLHKRRS-HXUWFJFHSA-N 483.912 3.934 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(C)cc1 31937378 KVPTWEPNWOPSON-ZXPTYKNPSA-N 492.535 3.924 5 40 JHBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 89969107 IKHFWMPPMAYUIM-UHFFFAOYSA-N 490.582 3.877 5 40 JHBB Cc1cc(NC(=O)CSc2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn23)no1 97105454 WBPXLAZPWSMWBO-UHFFFAOYSA-N 478.921 3.985 5 40 JHBB O=C(Nc1ccccc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1423272 JAJRWYWNRQRNGJ-NRFANRHFSA-N 481.486 3.706 5 40 JHBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 9397839 SIMVTORJCKVTDG-VWLOTQADSA-N 474.473 3.580 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 26570608 DYMBDEXLKDWKRB-NXRCNTEHSA-N 493.516 3.511 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccc(C)c1 101140727 IFGNLVWNWQOMJY-NFFVHWSESA-N 458.518 3.765 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] 408672314 VPLCZCGLSGCEKM-LBPRGKRZSA-N 466.277 3.745 5 40 JHBB COc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1[N+](=O)[O-] 1438859 ZHKBPQPVUOSKOV-QPEQYQDCSA-N 450.188 3.553 5 40 JHBB CC[C@@H](Sc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583157 LAPRCPLDUYIMGA-FZKQIMNGSA-N 486.529 3.863 5 40 JHBB O=c1[nH]c2c(Br)c(Br)c3[nH]c(=O)c(Cl)c(O)c3c2c(O)c1Cl 16382893 ZVPAPYIODSCSER-UHFFFAOYSA-N 470.888 3.613 5 40 JHBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 20852514 OKBQRPBKVJPYFX-UHFFFAOYSA-N 494.529 3.901 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(Cc4ccccc4)c3nc12 101158705 UXSWQCJHYWZKMT-UHFFFAOYSA-N 467.504 3.554 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408641770 MSTXXZDXMWFKFP-GOSISDBHSA-N 499.479 3.658 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2)n1C 409130707 UHECQKLHTGBIPK-IBGZPJMESA-N 468.539 3.581 5 40 JHBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2ccccc2C1 1547138150 YXRCFXPFOLGFTI-IFILWLFVSA-N 496.567 3.506 5 40 JHBB Cc1c(O[C@H](C)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ccc2c1oc(=O)c1ccccc12 8876953 GXTFVQZVTBUXLF-QRVBRYPASA-N 470.525 3.830 5 40 JHBB biogenic O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 8915354 SWDHZKXTZGDMIV-LVCYWYKZSA-N 475.379 3.959 5 40 JHBB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12563634 RSHGMWVHKLIPIO-SFHVURJKSA-N 480.468 3.765 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 13504854 USTBFEKSEIMVOK-DEOSSOPVSA-N 491.502 3.819 5 40 JHBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)s1 15391442 DYHRCJXTIZOCNI-UHFFFAOYSA-N 476.492 3.568 5 40 JHBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] 16449286 DTAXWQSCUFSXQP-UHFFFAOYSA-N 454.430 3.577 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 100988398 HNVGXGHZRLFXTL-NEWJYFPISA-N 498.470 3.762 5 40 JHBB CCCCn1/c(=N\C(=O)C2CCCCC2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628148 IJTVRIWCAPVXDK-QYQHSDTDSA-N 450.539 3.634 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 248132630 LORNJKZZNUPVBF-WAABAYLZSA-N 495.491 3.876 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408658969 VJCYSWWBHJMFAK-PMACEKPBSA-N 481.892 3.830 5 40 JHBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731305 LRTXSPSVIZMTMG-NRFANRHFSA-N 455.467 3.716 5 40 JHBB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3355321 UJIVZFWCYKAKBG-UHFFFAOYSA-N 451.500 3.619 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)cc1 9631118 PVIKHEIJZTUQNH-UHFFFAOYSA-N 483.502 3.924 5 40 JHBB CC[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 14318236 FHISZBRGDUPNIN-GOSISDBHSA-N 452.964 3.748 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(Cl)c1 30762111 LFNWEHKHBCGQQO-UHFFFAOYSA-N 466.766 3.583 5 40 JHBB CCOc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC 408605554 MAODQKPETRSSOJ-ZRDIBKRKSA-N 496.476 3.781 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408702970 LDQROWAEHFWBFP-UHFFFAOYSA-N 465.484 3.644 5 40 JHBB O=C(Cn1cc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCCC1 9519836 YRLZXFWRBNXMDN-UHFFFAOYSA-N 455.536 3.926 5 40 JHBB CCCC1(CCC)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 13097732 KOBXQTXJOGVBFG-UHFFFAOYSA-N 471.480 3.584 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 15563531 NFLHNBCNDJNTPX-UHFFFAOYSA-N 453.476 3.607 5 40 JHBB O=C1O/C(=C\N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 20405521 XEWCHXMNFLSCKV-BOPFTXTBSA-N 464.356 3.813 5 40 JHBB O=C(NC1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1)c1ccccc1 22195743 ZUQVOBSXIZUTKP-UHFFFAOYSA-N 486.594 3.558 5 40 JHBB CCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100826572 JECBBPRMXJYAJQ-UHFFFAOYSA-N 456.955 3.723 5 40 JHBB CN[C@@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O 8653373 PBCZSGKMGDDXIJ-NONLTZJKSA-N 482.540 3.845 5 40 JHBB biogenic O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 13148850 CVBXIHPZWQZHGP-UHFFFAOYSA-N 479.832 3.844 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 13592099 PFPUIGUNWPTKRQ-KXVHNFKESA-N 471.469 3.699 5 40 JHBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc21 16118193 YXBOGJJXYMWLFR-INIZCTEOSA-N 465.506 3.535 5 40 JHBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 22707728 TVUHAPPJENSNSW-UHFFFAOYSA-N 471.564 3.785 5 40 JHBB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 22998662 FLJXBWFGWVVMMA-BJMVGYQFSA-N 498.561 3.600 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 58357706 CIVOIZBTNPSQGP-VWNXMTODSA-N 464.566 3.701 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408679817 FJBZOHDKRSLKMQ-FVCZOJIISA-N 453.882 3.837 5 40 JHBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl 409165192 UNKYYNJUBKLGAV-LZYBPNLTSA-N 475.866 3.710 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2147982 IXEHLVFPWLHLSR-WIOPSUGQSA-N 476.533 3.576 5 40 JHBB biogenic COc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc(OC)c1OC 2354428 AVZHMFJAJLCQAX-UHFFFAOYSA-N 483.484 3.951 5 40 JHBB CCCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)sc(C(=O)OC)c1C 8442715 PWWYNGRCOSORLW-UHFFFAOYSA-N 486.934 3.895 5 40 JHBB Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c([N+](=O)[O-])c1 12487944 IRZIRZWENQXMDK-UHFFFAOYSA-N 487.465 3.639 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 22003520 JLZZYDVGGABIJT-CYBMUJFWSA-N 496.442 3.804 5 40 JHBB COc1ccc(OC)c2c1CN(C(=O)c1ccc(N3CCC(C)CC3)c([N+](=O)[O-])c1)C[C@@H]2O 32772680 DCDXQFFQZWQYJF-FQEVSTJZSA-N 455.511 3.538 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1OCC 100820868 HPPWXCFFMFOFTA-OLFWJLLRSA-N 488.544 3.622 5 40 JHBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1 138266956 VIQVJKKMKTYCPA-LIONHTAISA-N 495.491 3.876 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2147985 IXEHLVFPWLHLSR-DHLKQENFSA-N 476.533 3.576 5 40 JHBB biogenic Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 12983691 LBWAEMWAHGYMDM-LBPRGKRZSA-N 450.421 3.820 5 40 JHBB C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13646552 IXIRGHCAMCRCMS-KRWDZBQOSA-N 451.504 3.768 5 40 JHBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)n1 22526699 KYNJADLUQXEINY-UHFFFAOYSA-N 487.563 3.674 5 40 JHBB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 32882102 DRDUREANMGRPPF-QRWLVFNGSA-N 477.970 3.787 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102785920 SVAIFRRTLZBRDN-WTEVXDJOSA-N 490.516 3.948 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223634216 XBJGVVVZSMIPST-LEWJYISDSA-N 454.508 3.613 5 40 JHBB Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)cc1 22231754 MFPCLQSTPLURGP-UHFFFAOYSA-N 469.519 3.887 5 40 JHBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-n3nncc3C(F)(F)F)cc2)cc1[N+](=O)[O-] 62595223 LHDULEXGPNRHIB-UHFFFAOYSA-N 461.809 3.957 5 40 JHBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NCc1ccccc1 9668057 QHVOGXPNOZXYGU-UHFFFAOYSA-N 455.492 3.643 5 40 JHBB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 9955273 ILEVHMITTMMJMK-UHFFFAOYSA-N 467.569 3.998 5 40 JHBB CC(C)CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9971788 LOFAQEXRPLBELQ-UHFFFAOYSA-N 452.964 3.827 5 40 JHBB CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 12609954 FATUMXMBUYYYML-QGZVFWFLSA-N 484.372 3.941 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26118926 XHHOIGYJXDRLCU-UHFFFAOYSA-N 479.580 3.998 5 40 JHBB Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 100354611 IMSWHKUSJVUOFT-RBBKRZOGSA-N 454.442 3.520 5 40 JHBB CCOc1ccc(-c2nn3c([C@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101018116 HAOFRAOANDZZOZ-AFMUBRCDSA-N 454.486 3.694 5 40 JHBB CCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101115489 BYRMWVLSXUMEGR-QLYXXIJNSA-N 464.547 3.737 5 40 JHBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223239115 BKBYMSJZYCUXEA-FGZHOGPDSA-N 450.568 3.705 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(C)cc3)C(=O)[C@H]2C1 408640925 BQAQLMNPYXOLLV-WTNAPCKOSA-N 475.501 3.873 5 40 JHBB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1C 9630787 YFWWJEVELNHNGI-MLFXKNMZSA-N 489.550 3.517 5 40 JHBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCSc1ccc(Br)cc1 12601561 NXTSRHFCYJYEGL-UHFFFAOYSA-N 472.748 3.649 5 40 JHBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278600 QLRXVAIEBFZZGX-UHFFFAOYSA-N 476.468 3.865 5 40 JHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 20529995 SKVHPUZFLZEYAG-UHFFFAOYSA-N 499.281 3.822 5 40 JHBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)O)n[nH]1 408631420 IOSHHETYZDSILM-RZNTYIFUSA-N 493.841 3.874 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408666079 ZWVJALMLULXWKB-UXHICEINSA-N 481.892 3.830 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687226 TXPDNISUNAXJJC-XMCHAPAWSA-N 483.908 3.910 5 40 JHBB Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 9127933 XWPAYEILPOBRNB-KUHUBIRLSA-N 461.902 3.881 5 40 JHBB Cn1ccnc1[C@H](NC(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1 10320789 IHIDZQYSCDULGR-OAQYLSRUSA-N 450.495 3.688 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3Cc3ccccc3)CC2)cc1 19372854 ACIVBJJPRIZSDG-QFIPXVFZSA-N 461.551 3.603 5 40 JHBB Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1C 33701937 RJFZVIJMOAWWQG-UHFFFAOYSA-N 452.555 3.930 5 40 JHBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1 100851488 IQWQYIUQXORKED-UHFFFAOYSA-N 463.541 3.724 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 260943092 TVDDLUWCEXKTGK-QGZVFWFLSA-N 477.583 3.550 5 40 JHBB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)nc2n1 9284600 FDITWBXHXDDJPJ-LBPRGKRZSA-N 455.525 3.892 5 40 JHBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14270971 WCMFFIZYAZDIFT-UHFFFAOYSA-N 450.455 3.903 5 40 JHBB CCOC1=C[C@H](C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1 408926607 UUAMMVVSPXQKLS-CQSZACIVSA-N 495.492 3.882 5 40 JHBB COc1cc2c(S(=O)(=O)NC(C)C)cc3c4c(c(OC)c(OC)c3c2cc1OC)CN(C)CC4 524729792 JKCWJBHVZJVJFV-UHFFFAOYSA-N 488.606 3.702 5 40 JHBB biogenic CC[C@@H](Sc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)NCCCOC 2968971 TUEBNNPDDPSSJC-LJQANCHMSA-N 480.550 3.876 5 40 JHBB O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 3128306 QXZKRASABCPTLP-FYYLOGMGSA-N 454.479 3.642 5 40 JHBB COc1cc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc(OC)c1OC 9404490 QGKWMEOKEQYGIH-UHFFFAOYSA-N 456.480 3.805 5 40 JHBB Cc1ccccc1OCC(=O)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10000535 ZGVCSCFFLLDONX-UHFFFAOYSA-N 450.447 3.934 5 40 JHBB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1ccc([N+](=O)[O-])cc1 12644012 FCOFHZPCPTUQEB-SJGJPPQQSA-N 481.597 3.797 5 40 JHBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410866 ZNLMUDAWOCJNFD-UHFFFAOYSA-N 464.316 3.990 5 40 JHBB O=C(COC(=O)COc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24766201 KRKVPNUEHSKXRF-UHFFFAOYSA-N 477.189 3.937 5 40 JHBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223982944 IWDIIGQXKQHKAP-OAQYLSRUSA-N 487.553 3.715 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 225832290 DNTSRCKRYDFKDA-LJQANCHMSA-N 475.567 3.868 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408687861 VGZYKWOFCCLEAJ-ASUYLVSUSA-N 498.879 3.911 5 40 JHBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 408906111 CKKSBDJBSTYSML-UHFFFAOYSA-N 471.491 3.974 5 40 JHBB COc1ccccc1-c1cc(C(F)F)n2ncc(-c3nnc(CCn4cc([N+](=O)[O-])cn4)o3)c2n1 2792017 MDUHENXHIIKMJT-UHFFFAOYSA-N 482.407 3.740 5 40 JHBB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2cnc3ccccc32)c2cccc([N+](=O)[O-])c2)cc1 4091092 XIEBRAYKEBQUAD-FQEVSTJZSA-N 466.519 3.509 5 40 JHBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(I)cn1 9009920 PZRDMVCHKOGWOO-QHHAFSJGSA-N 488.694 3.774 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C 9328800 KBWGOMYAPSFFFK-LJQANCHMSA-N 469.523 3.871 5 40 JHBB CCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101129236 LOIXVFGFBQVFFL-UEHGPKANSA-N 470.529 3.685 5 40 JHBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Br)cc1 102697528 BYKKAIQZBYCVGK-FGTMMUONSA-N 491.729 3.546 5 40 JHBB O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 409211990 PASOFZWTMCZUSH-FYJGNVAPSA-N 490.447 3.844 5 40 JHBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1087577 YPSDSLCCDSOTEK-QFIPXVFZSA-N 461.478 3.981 5 40 JHBB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 6878331 VQGVDYXGFKBVNC-UHFFFAOYSA-N 457.512 3.833 5 40 JHBB CCc1cc2oc(=O)cc(COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c2cc1Cl 9493437 PKTGUNIEQLKNEB-UHFFFAOYSA-N 465.867 3.678 5 40 JHBB O=C(Nc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9508397 FSKDWEHIPRZNTA-UHFFFAOYSA-N 463.943 3.776 5 40 JHBB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1ccc([N+](=O)[O-])cc1 9603305 DYTVZTRSEPYXQV-UHFFFAOYSA-N 474.404 3.585 5 40 JHBB O=C(/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)N1CCOCC1 9630857 AEYPEBWVHDCAOQ-SAPNQHFASA-N 488.529 3.812 5 40 JHBB O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 13138101 XXDABQVQURIJDE-UHFFFAOYSA-N 458.323 3.941 5 40 JHBB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223365659 WUOHDWHZLOPBCC-QGZVFWFLSA-N 484.336 3.842 5 40 JHBB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224973928 JYWBFXLTFQLOGC-NRFANRHFSA-N 460.556 3.768 5 40 JHBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260941223 RSXIMYHDXDGUET-OPAMFIHVSA-N 459.568 3.896 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408680791 GRJYWFJFIUDYNW-SLUIBLPYSA-N 498.333 3.946 5 40 JHBB O=C1NC(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1 409045687 HCRNZALERYUWGJ-VGOFMYFVSA-N 497.099 3.879 5 40 JHBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129186 MDKAWFIEKHSDSV-QKFKETGDSA-N 486.480 3.713 5 40 JHBB biogenic CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12562959 JCIFDIDKIDFWGN-UHFFFAOYSA-N 499.589 3.808 5 40 JHBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 16384033 PBPNYPRZLRBSIK-UHFFFAOYSA-N 483.775 3.848 5 40 JHBB CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223051649 HPFYYRXXZYJHIU-HXUWFJFHSA-N 475.567 3.516 5 40 JHBB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223251535 BKNKOFASKAEYKU-QGZVFWFLSA-N 469.519 3.676 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229607669 WCJWZSMIIAVBEH-KEZOAJOQSA-N 498.470 3.762 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2cccs2)cc1 408644077 GVCNXHGIIOUEAE-INIZCTEOSA-N 494.481 3.655 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1ccccc1 1884253 ZDVAZLFWZPVTQD-BVAGGSTKSA-N 466.497 3.961 5 40 JHBB biogenic CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 9303928 GJFQMAPHCKNEHN-LNRXMEIDSA-N 459.502 3.852 5 40 JHBB CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)c1 9708022 AUBDQJGDUIZZCF-UHFFFAOYSA-N 468.516 3.850 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 20410941 LYCBOZPAZXDSBG-UHFFFAOYSA-N 464.931 3.610 5 40 JHBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 101237317 URRNKCCGLYISGN-ZRBLBEILSA-N 493.447 3.802 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 248273906 REYINSAEJLLHPS-LRSLUSHPSA-N 475.501 3.734 5 40 JHBB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O 408662818 NRJOJXBRJMDEHE-OAHLLOKOSA-N 473.441 3.748 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc2c1=O 9630467 DSWRLAWUPZPUAE-UHFFFAOYSA-N 463.313 3.818 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 17358038 NSDLTAAISIZWAQ-UHFFFAOYSA-N 494.573 3.662 5 40 JHBB COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18207974 GOQVYQHWNBCKBV-HJOGWXRNSA-N 489.484 3.659 5 40 JHBB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224660590 UGFXBSHPPLAMRG-QGZVFWFLSA-N 473.473 3.783 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1OC 2419001 XLCRLJOYVWFSPB-UHFFFAOYSA-N 459.506 3.727 5 40 JHBB COc1ccc([C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12559000 SXUGOFWDBQLCST-QGZVFWFLSA-N 470.429 3.832 5 40 JHBB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 40105415 ZERBYEISOQEJHO-UHFFFAOYSA-N 491.569 3.552 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223891190 XYBZZWCAPMXKFW-OAHLLOKOSA-N 462.344 3.843 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 408668956 RMNMGUVIPUTFME-HBGVWJBISA-N 491.500 3.541 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1Br 408673038 YCBDXTGEFABPOR-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408680377 GEBRIDWTLWZNNY-FVCZOJIISA-N 453.882 3.837 5 40 JHBB CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C(=O)OCC)c1C 2609911 IAIBKSFZEZEYDY-UHFFFAOYSA-N 450.469 3.644 5 40 JHBB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 6904324 ZUGFNCHNDWWBGB-XDJZYPBNSA-N 470.481 3.765 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NC[C@H]4CCCO4)nc2c31 8878220 NUZSLOLCHMRRGU-CQSZACIVSA-N 457.486 3.518 5 40 JHBB biogenic CC1=C[C@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 9423282 QNPDOFCZLATMOX-LNRXMEIDSA-N 459.502 3.852 5 40 JHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCN(CC(=O)N2CCCC2)CC1 24757647 LEIHSQCPZRTCTH-DEOSSOPVSA-N 499.999 3.558 5 40 JHBB O=C1c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cc1 95470803 MZSQJGKQWVZXEL-UHFFFAOYSA-N 456.252 3.715 5 40 JHBB CCCn1/c(=N\C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176415 NNVOXYPDSGTTJT-MEFGMAGPSA-N 464.909 3.630 5 40 JHBB Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224856064 RITUSZIMLIFKNN-UHFFFAOYSA-N 497.573 3.987 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408665803 ZLNNKMVEIMXPJY-UAOJZALGSA-N 483.908 3.910 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409140474 DWJAXQMXRHERGB-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 409145749 RRCKGPNWWVTXNA-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc([N+](=O)[O-])c1 3322182 BDNCISIQEFHSQI-UHFFFAOYSA-N 460.748 3.849 5 40 JHBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1 9462246 OYHNENUORQOPTP-LJQANCHMSA-N 455.518 3.839 5 40 JHBB Cc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 20107728 MNZHXSAPUCWTLX-SFHVURJKSA-N 453.520 3.976 5 40 JHBB COc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(OC)c1OC 57362880 GJWSTISKMBJHPZ-UHFFFAOYSA-N 455.433 3.962 5 40 JHBB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NCCOc1ccc(Cl)cc1 84414982 AXEGGQCDVOPDHA-UHFFFAOYSA-N 486.878 3.584 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224672660 HXAHWRNJCAZXQA-GOSISDBHSA-N 469.538 3.848 5 40 JHBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225592773 ZHCHBMURVYEUDI-DEOSSOPVSA-N 491.544 3.677 5 40 JHBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408642320 OAHMKJSTEHORJI-INIZCTEOSA-N 485.452 3.662 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408651622 NPIXEBNROYJPDJ-QHAWAJNXSA-N 463.490 3.789 5 40 JHBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)C(C)C)cc1 409169610 RBXDXCVIZGZXKT-HXUWFJFHSA-N 498.565 3.595 5 40 JHBB COc1ccc([C@@H]2[C@@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 8974810 OGWHSRIFGMCRDG-QORCZRPOSA-N 467.485 3.793 5 40 JHBB Cc1csc(Sc2ccc(C(=O)NCc3ccc(N4CCOCC4)nc3)cc2[N+](=O)[O-])n1 11129059 XMBVFKFNVRYBRX-UHFFFAOYSA-N 471.564 3.673 5 40 JHBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 13882993 LFIAWEUUQMGZTF-UHFFFAOYSA-N 461.887 3.708 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 16430523 YKGUYXWLVHPBSV-UHFFFAOYSA-N 495.586 3.746 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 35851839 RRANEJOVMWVIMH-MTQWNXOMSA-N 490.516 3.948 5 40 JHBB CN[C@@H]1C[C@H]2O[C@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O 100384698 PBCZSGKMGDDXIJ-VPBSCXRHSA-N 482.540 3.845 5 40 JHBB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 100575512 RUERPHPBPQRPKR-PNHOKKKMSA-N 450.447 3.560 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408565323 BQXGGPXWSRZNMZ-DWSPACKXSA-N 477.492 3.982 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408649529 LDAHIXCTNHEIFU-QHAWAJNXSA-N 461.474 3.565 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408655881 SANKLLLAPVECGW-MMACOIQUSA-N 481.892 3.686 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1C 408665996 ZUNHEPXHFJKXQS-YTJPUZGESA-N 475.501 3.649 5 40 JHBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409212731 QBGNQWGPTYGQDY-NDENLUEZSA-N 460.471 3.951 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3cccs3)cc2C1=O 13856643 TYRFABKBMJHTMT-UHFFFAOYSA-N 466.427 3.505 5 40 JHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 20028146 QATQVDVNTJEYJQ-UHFFFAOYSA-N 451.439 3.868 5 40 JHBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)CC1 20153270 XTHOOFVICSQNIH-UHFFFAOYSA-N 456.524 3.585 5 40 JHBB Cc1c(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1450871 NBBJIPDAOKGSNA-IBGZPJMESA-N 498.754 3.931 5 40 JHBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1c(Cl)cccc1C(F)(F)F 9130924 LDFFILNDDZOOMH-UHFFFAOYSA-N 487.818 3.899 5 40 JHBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399555 KNPVOSANCUEYTG-SNVBAGLBSA-N 489.275 3.793 5 40 JHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222498567 QFQLUASNGUDZOK-HXUWFJFHSA-N 457.527 3.623 5 40 JHBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 409175656 AHTFZFHYPXGMFF-UHFFFAOYSA-N 477.385 3.669 5 40 JHBB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1OC 9096156 AZKGQGSAQJOJNH-UHFFFAOYSA-N 485.518 3.998 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c([N+](=O)[O-])c1 9127601 RCSCTJGJKFRPFY-UHFFFAOYSA-N 489.550 3.947 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCOc1ccc(Br)cc1 9495330 SEVKPRYQSGGVJU-UHFFFAOYSA-N 471.329 3.600 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2OC)cc1 9633268 ZEWYVSHMYYEVIW-UHFFFAOYSA-N 471.491 3.974 5 40 JHBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 10010454 VYGPXNAPRMVCDV-UHFFFAOYSA-N 471.945 3.769 5 40 JHBB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14275600 GIPUEQFSQXPZSM-UHFFFAOYSA-N 494.270 3.981 5 40 JHBB Cc1ccc([C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2)cc1 20049346 CCUQAPFCQZPKHO-HSZRJFAPSA-N 453.520 3.575 5 40 JHBB CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103461053 QLOIBOOOXUQHLZ-ZSNNFYQVSA-N 459.502 3.852 5 40 JHBB CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 107732460 BDKNFNYFUXJCLC-LWHXSLQUSA-N 477.857 3.898 5 40 JHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 2118237 RNKSTJPKXBWOCP-FQEVSTJZSA-N 451.862 3.791 5 40 JHBB biogenic CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 8832517 FKVBDRKEYGHBGV-UHFFFAOYSA-N 460.918 3.958 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15117199 IQBIQVRGJZLDAA-UHFFFAOYSA-N 499.515 3.510 5 40 JHBB COc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 20482560 YQZMURQWJZBSQE-QGZVFWFLSA-N 499.545 3.685 5 40 JHBB O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 102269788 YBXUBSUHCXCHOA-DEOSSOPVSA-N 472.501 3.841 5 40 JHBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103934301 IKGTWBDKQXSGFK-UHFFFAOYSA-N 459.415 3.908 5 40 JHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222547400 KYMGHHWZQRHPCW-IBGZPJMESA-N 477.945 3.968 5 40 JHBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)cc1 223166343 ALVSLCAYGWZIOG-XZOQPEGZSA-N 479.562 3.555 5 40 JHBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O 9129374 FVCCLCFGVHSKBQ-RDPSFJRHSA-N 450.495 3.642 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc2[N+](=O)[O-])CC1 12556437 UVAOGXCDMJFAEK-AWEZNQCLSA-N 475.343 3.517 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)C(=O)NC1CCCCCC1 39995777 IOQLYVFZNYWOJH-AUUYWEPGSA-N 467.950 3.773 5 40 JHBB COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 89540497 UYFGRBDFZBJGHJ-ZRDIBKRKSA-N 459.524 3.738 5 40 JHBB N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101042674 GAPUDQPAAZKZLC-UHFFFAOYSA-N 494.935 3.802 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223726785 RKIDRRFLZLBAQA-FQEVSTJZSA-N 491.610 3.941 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)cc1Br 408660630 BKTWVASOTVESLF-UHFFFAOYSA-N 478.299 3.875 5 40 JHBB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 917848 YQAJJMXLZWGDHQ-UHFFFAOYSA-N 462.919 3.728 5 40 JHBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)c(C)nc21 2220771 AEZDDQVLKDFJEC-SFHVURJKSA-N 455.518 3.839 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 8644361 PSORNFMTBWIJMP-UHFFFAOYSA-N 453.311 3.913 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 10449507 XOQOUTASRAOZMY-UHFFFAOYSA-N 451.504 3.770 5 40 JHBB O=C(Nc1ccccc1)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 12514784 XCQDPDBTGQIPPT-UHFFFAOYSA-N 457.430 3.743 5 40 JHBB O=C(NCC1(c2ccccc2)CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14094407 VGXIKCOAONHFAZ-UHFFFAOYSA-N 451.504 3.857 5 40 JHBB Cc1cc2n(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c(=O)c3ccccc3n2n1 57303680 YMKZXGWLXQUDBF-UHFFFAOYSA-N 486.454 3.664 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408659050 VLTIEYKEEMNKTB-LVNJIZSUSA-N 481.892 3.519 5 40 JHBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccccc4)n32)C1 658422 YSZQTKFVJQBEQR-CYBMUJFWSA-N 463.592 3.520 5 40 JHBB O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 9539997 YSXXNFGSNYHFCR-UHFFFAOYSA-N 489.893 3.845 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(NC(=O)C(F)(F)F)cc(NC(=O)C(F)(F)F)c1 13881513 CHGCEVWZRILQCN-UHFFFAOYSA-N 464.278 3.849 5 40 JHBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399330 NSAPVZCXVCEWBX-AWEZNQCLSA-N 498.883 3.538 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8824828 UODRKTOOSGTSHG-CQSZACIVSA-N 489.440 3.588 5 40 JHBB COc1cc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OC 9569364 DHVWESVNXOKHTP-OAQYLSRUSA-N 492.481 3.598 5 40 JHBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 89969108 AAGZFGPXAYGOSC-UHFFFAOYSA-N 460.556 3.868 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 247358855 YVABIXBWEIIYHN-YCAMKHIRSA-N 498.470 3.762 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Br 408666413 ZNNRFAAWLBCZFN-UHFFFAOYSA-N 478.299 3.875 5 40 JHBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O 408932164 BIPGXHIQDIRWGL-MFOYZWKCSA-N 457.464 3.683 5 40 JHBB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 3442065 BLUVUGMNIVHQSH-GFCCVEGCSA-N 476.507 3.904 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c([N+](=O)[O-])c2)C1 8825264 YYGHDJFKQSDBTO-MRXNPFEDSA-N 489.575 3.969 5 40 JHBB CCN(CC)Cc1nc(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2c(C)c(C)sc2n1 9647492 KUNBTXHDZYVKOF-XLIONFOSSA-N 459.572 3.565 5 40 JHBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@@H]4CCCO4)c3)CC2)cc1 9971919 PJBHNUJCBKJMDP-QFIPXVFZSA-N 468.554 3.935 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008171 CBKXTSUBDGDOQS-OAQYLSRUSA-N 457.483 3.571 5 40 JHBB CNC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 36656131 LSYGQIGRXPMCGX-UHFFFAOYSA-N 450.417 3.828 5 40 JHBB O=c1/c(=C\c2cccnc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408844660 VTEVWZIEYLREDD-LYRGBEMXSA-N 466.522 3.622 5 40 JHBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCn1ccnc1 8791879 QGJUMQHGJBZMCT-KRWDZBQOSA-N 465.513 3.762 5 40 JHBB biogenic O=[N+]([O-])c1cc2c(c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c1)OCOC2 16565592 JPEPQDITZJVEPX-UHFFFAOYSA-N 458.824 3.851 5 40 JHBB C[C@H](OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(Cc2ccccc2)CC1 24832668 SZJPINWLERSXBO-VMSUTVGLSA-N 457.914 3.538 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] 32125266 GFCIXRUFNHNTCA-UHFFFAOYSA-N 462.553 3.550 5 40 JHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58156796 COAMBSFWKVRRGU-WOJBJXKFSA-N 469.611 3.531 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 101343975 ROWCZIRSIKFAAQ-YCAMKHIRSA-N 498.470 3.804 5 40 JHBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224107018 UIVKGAWUERCTEZ-SFHVURJKSA-N 469.538 3.501 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408659189 VSYBXJPFENTIKK-BJZITVGISA-N 483.908 3.910 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 408663836 OQHRIYCYNRWGMT-UHFFFAOYSA-N 478.299 3.875 5 40 JHBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1O 408877662 XJOOCJCXLBRWLL-PXNMLYILSA-N 461.427 3.513 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)c([N+](=O)[O-])c1 13120690 PYCQUIMNQITZQK-INIZCTEOSA-N 481.571 3.513 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC[C@H]3C(=O)Nc4ccccc43)c([N+](=O)[O-])c2)C1 23258323 BLPGKFFGKJJVRM-CRAIPNDOSA-N 458.540 3.553 5 40 JHBB O=c1nc2/c(=C\c3ccc([N+](=O)[O-])cc3)c3ccccc3c(=O)n2c2sc3c(c12)CCCC3 32559959 GHKWAQFQVUPWSU-UYRXBGFRSA-N 455.495 3.757 5 40 JHBB C[C@@H](OC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(C(F)(F)F)cc1 32933300 GXBVLDXCBNGUCT-GFCCVEGCSA-N 450.373 3.924 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102540368 IBJVAAIOHURQKE-RTBURBONSA-N 469.881 3.664 5 40 JHBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1Cl 107552606 MTKLYYUOZCOQBH-CAOOACKPSA-N 477.882 3.940 5 40 JHBB CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223483574 CSRXIZJPWRBETH-PXNSSMCTSA-N 477.583 3.951 5 40 JHBB Cc1nn(CC(=O)OCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)c(C)c1[N+](=O)[O-] 3428119 RSTTXGSWDHOQCZ-UHFFFAOYSA-N 458.902 3.954 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O 10434448 YZXZTYOMYVXSQG-UHFFFAOYSA-N 465.837 3.980 5 40 JHBB Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 11867389 JUHOVBSIOJWTCB-UHFFFAOYSA-N 451.500 3.837 5 40 JHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 12858706 KWBAIZKYAOCZHW-CSKARUKUSA-N 454.870 3.649 5 40 JHBB CCCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176513 JZUOTJCNVLSMBY-RPIZWUELSA-N 470.529 3.767 5 40 JHBB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br 101581866 IDMNVJATNRYARH-ATZCPNFKSA-N 474.105 3.814 5 40 JHBB COC(=O)CSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 223320991 HXJDXTYMVUAFMD-LFIBNONCSA-N 456.505 3.891 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223667803 IJKYVRDEPLCOPT-LEWJYISDSA-N 452.492 3.785 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223786235 MQJMGDYTHNJOKT-GOSISDBHSA-N 469.538 3.767 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408640051 ADWFNAZDCJBGIP-IBZMOEQTSA-N 481.892 3.686 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409365936 QFXBVLFAFMZTSY-FRKPEAEDSA-N 477.882 3.946 5 40 JHBB Cc1ccccc1N[C@@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 12564741 VXQNNTLJMJDESO-AWEZNQCLSA-N 450.710 3.943 5 40 JHBB Cc1ccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)n2)cc1 13857149 QVLDAQINVPLKJG-KRWDZBQOSA-N 465.487 3.806 5 40 JHBB Cc1ccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)n2)cc1 13857150 QVLDAQINVPLKJG-QGZVFWFLSA-N 465.487 3.806 5 40 JHBB Cc1ccc([C@@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2)cc1 20486090 IPEZBLBXRLUIRV-DEOSSOPVSA-N 467.547 3.883 5 40 JHBB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 32882104 DRDUREANMGRPPF-FOIQADDNSA-N 477.970 3.787 5 40 JHBB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2)Nc1ccc([N+](=O)[O-])cc1 100433797 FCOFHZPCPTUQEB-HNIPUFGXSA-N 481.597 3.797 5 40 JHBB Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1 100851441 FVVWBQBDUBUAET-UHFFFAOYSA-N 470.554 3.627 5 40 JHBB CCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101110418 ALWDAIWAFHOFKF-NFFVHWSESA-N 458.518 3.594 5 40 JHBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 409221129 LGIBDRHQLVQEDK-VIZOYTHASA-N 463.855 3.637 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2122032 QWOCTLVLSFTXMA-DHLKQENFSA-N 476.533 3.576 5 40 JHBB biogenic COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 4130717 LGQJDLILRZQIDL-UHFFFAOYSA-N 468.871 3.907 5 40 JHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 9495308 WJVYQFWFGOMZSP-FQEVSTJZSA-N 488.562 3.608 5 40 JHBB C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2[N+](=O)[O-])C1 9662696 GMEYOLXIKATXIS-KRWDZBQOSA-N 472.567 3.868 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3cc2c1=O 40399102 DXYGBDQZALLMAL-LRAJWGHMSA-N 475.549 3.906 5 40 JHBB Cc1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(=O)n(-c2ccccc2)n1C 2355817 VUEJRVVLBHDIHZ-UHFFFAOYSA-N 455.521 3.733 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 9699003 HDMZEVIOACWNAE-LJQANCHMSA-N 471.514 3.965 5 40 JHBB Cc1ccccc1OCC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10042468 IEHLHGWLRPSBRW-RUZDIDTESA-N 462.458 3.566 5 40 JHBB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)cc1 14409851 ORIBGZDZTGCOIG-UHFFFAOYSA-N 455.496 3.781 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])CC1 17917152 JXXGUGSBJGVSDE-UHFFFAOYSA-N 465.337 3.842 5 40 JHBB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 25915960 TWMSOJVVAKBKBI-UHFFFAOYSA-N 462.554 3.769 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102739530 HTCXICINKGOFAI-WXFUMESZSA-N 489.484 3.972 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1cccc(C)c1 409130472 HZGOGUZLIKDNPY-HNNXBMFYSA-N 498.565 3.745 5 40 JHBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 12342385 FCRGODAFZKVSMX-FQEVSTJZSA-N 450.520 3.511 5 40 JHBB Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16362574 GRUAXZPVWDIADQ-UHFFFAOYSA-N 452.458 3.759 5 40 JHBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 16401467 HLIVKBUGAIMYNV-XBXARRHUSA-N 460.943 3.607 5 40 JHBB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 40149310 XZYJFTCOIUPDHU-GUDVDZBRSA-N 450.605 3.611 5 40 JHBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NCc1ccc(F)cc1 62572125 ORLFDGOJTJZJJB-UHFFFAOYSA-N 471.517 3.852 5 40 JHBB O=c1oc2ccccc2n1CCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 69929482 QROZTTGUCZAMHF-UHFFFAOYSA-N 450.417 3.734 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2cc([N+](=O)[O-])ccc21 100821196 KSNVCUIHYCYLTB-QTUOYIBBSA-N 488.591 3.935 5 40 JHBB O=C(C[C@@H]1Cn2nc(SCc3ccccc3Cl)nc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 1857657090 ANZZQSWIZSHWIG-CYBMUJFWSA-N 472.914 3.729 5 40 JHBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 9907895 KWRFSUWVCTYDAH-UHFFFAOYSA-N 488.500 3.596 5 40 JHBB Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 33861907 JJVWOIVZCSEAQW-UHFFFAOYSA-N 467.595 3.730 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851767 BYOKQPLVILKYTH-NMOFPLQQSA-N 472.526 3.809 5 40 JHBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 57313923 IYVQFLYREDECLM-UHFFFAOYSA-N 462.944 3.980 5 40 JHBB O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 62628397 FHALMDCWTWDSID-UHFFFAOYSA-N 492.233 3.758 5 40 JHBB O=C(Nc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102513423 PXPUUHPDLMUYJK-UHFFFAOYSA-N 497.332 3.791 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 223916635 ROISZQJXEGTIKD-LJQANCHMSA-N 461.540 3.560 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408648833 KIEBWQRZXXUYKE-NDXORKPFSA-N 463.490 3.707 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 408662434 ILKFBZSDOGAKGI-UHFFFAOYSA-N 478.299 3.875 5 40 JHBB CN1C(=S)S[C@@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 8443497 XCPXSWDILTVGFP-NEYJZJCJSA-N 498.586 3.510 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1 9246600 HHWNWIMDYVKDGT-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 9699000 HDMZEVIOACWNAE-IBGZPJMESA-N 471.514 3.965 5 40 JHBB COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 19929325 FERNLVABQAGYMF-UHFFFAOYSA-N 450.860 3.950 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)CCc1ccccc1 31937010 DMRXNPNXGLNJSS-GNVQSUKOSA-N 472.545 3.542 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408656500 SSAQOIPPABYDMD-OALUTQOASA-N 469.881 3.664 5 40 JHBB CCOC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409367914 JPCFUVDUSZDCBS-FPAXGFGJSA-N 468.465 3.648 5 40 JHBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9026351 JQSNZQHBQXURSR-UHFFFAOYSA-N 457.512 3.545 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9328641 ZKGVBAGUWKRXME-GPUOULLFSA-N 469.538 3.919 5 40 JHBB COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 13845090 SPOUDCUTASJQDN-UHFFFAOYSA-N 463.903 3.695 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 38159910 PHWKGHAERNHNQL-UHFFFAOYSA-N 464.301 3.887 5 40 JHBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399427 HCHFUZBPDUIWIS-CQSZACIVSA-N 498.883 3.538 5 40 JHBB CCOc1ccc(-c2nn3c([C@@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101018118 HAOFRAOANDZZOZ-LRGYGIHKSA-N 454.486 3.694 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 205780648 BIXLLDXCQZNKAM-RQZCQDPDSA-N 473.463 3.779 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223671355 SFHKVYVQXZJOQO-VXKWHMMOSA-N 482.518 3.794 5 40 JHBB Cc1csc(Sc2ccc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])n1 9223065 OSLIMKGGBWRWRH-HNNXBMFYSA-N 493.588 3.933 5 40 JHBB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 9491248 IHSXRWGZPPYSKC-UHFFFAOYSA-N 467.345 3.588 5 40 JHBB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 13039331 RACNPWMRNDQYQO-UHFFFAOYSA-N 489.484 3.599 5 40 JHBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223671407 SFHKVYVQXZJOQO-YADHBBJMSA-N 482.518 3.794 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc([N+](=O)[O-])c1O 409175850 VUBXYVGZPAUWMU-YVLHZVERSA-N 471.491 3.991 5 40 JHBB O=C(CN1CCOCC1)Nc1ccc(-n2c(C3CC3)nc3cc4ccccc4cc3c2=O)cc1 36395674 OSBHEGRHQMUYFW-UHFFFAOYSA-N 454.530 3.687 5 40 JHBB CCn1c(Sc2ccc([N+](=O)[O-])cc2F)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 69603067 VNOIEHOMQZDOSV-UHFFFAOYSA-N 477.543 3.948 5 40 JHBB CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222810123 PSFFPAYKFIQQGV-NRFANRHFSA-N 455.536 3.917 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565125 HUMDUXPVECUGLB-HJYBCJJRSA-N 459.502 3.842 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1C 408656984 IBWPSSYORFTEOK-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)n2CC 9138803 KSZKZTAKYUCWMH-UHFFFAOYSA-N 458.496 3.881 5 40 JHBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 9511986 YGEDSZDLRAIVDJ-UHFFFAOYSA-N 496.545 3.509 5 40 JHBB CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 13071872 IPGDYZHMCBZYIV-AWEZNQCLSA-N 455.583 3.550 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C 13424578 SABJRBIXAFOGEO-UHFFFAOYSA-N 478.328 3.892 5 40 JHBB COc1ccc(NC(=O)CCN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 58182792 ILVSJHZTUUSKPP-UHFFFAOYSA-N 450.499 3.597 5 40 JHBB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223086740 ZUIREZBKQGHULY-SFHVURJKSA-N 457.527 3.624 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C)C=CC[C@H]2C1=O 408653925 QDDTUOPIRIARMB-DHWLSRIRSA-N 475.501 3.811 5 40 JHBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 409101661 QGWBYLULPWEHKF-WOJGMQOQSA-N 457.464 3.677 5 40 JHBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] 409206760 XGOFRIBOUYNREO-BKUYFWCQSA-N 493.497 3.764 5 40 JHBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccccc1 2629639 XIUOSNPGLCNSGK-KRWDZBQOSA-N 450.900 3.526 5 40 JHBB COc1cc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8587022 UWTVNCOUOOYAQS-HNNXBMFYSA-N 456.455 3.929 5 40 JHBB aggregator COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 8762111 XYFRLVLKALKQQZ-UHFFFAOYSA-N 496.608 3.571 5 40 JHBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12 9445219 BLABNISABWAPFU-UHFFFAOYSA-N 490.563 3.886 5 40 JHBB Cc1cc(I)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 9601692 ROYUADGAXXNMOB-UHFFFAOYSA-N 455.277 3.943 5 40 JHBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)cc1 9847019 NOAVJHDKHIWNSG-UHFFFAOYSA-N 459.455 3.577 5 40 JHBB COc1ccc(-n2cnn(CN3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)c2=S)cc1 12562851 LMEWRSJSBYTZQA-UHFFFAOYSA-N 460.947 3.753 5 40 JHBB CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 16046257 ZIHWBMQEBBEVGA-UHFFFAOYSA-N 451.932 3.850 5 40 JHBB CCCn1/c(=N\C(=O)c2ccccc2C(F)(F)F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176357 UCXCEFSNEQIOJI-OFWBYEQRSA-N 498.461 3.996 5 40 JHBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223623459 BJXHBRYBSRPXFB-FQEVSTJZSA-N 487.553 3.713 5 40 JHBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC 408569692 XABLNNCRZMLGFU-HKBKIPCKSA-N 488.338 3.521 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408646910 JBYJICRSGBPCIC-MKJVIKKCSA-N 475.501 3.645 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408676244 AOMMBOIHELULDV-HZVDNRATSA-N 451.866 3.613 5 40 JHBB Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2498198 XBQHODQABCWXLN-SECBINFHSA-N 484.376 3.566 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 9328792 XZMWAXIUQVXZSB-IBGZPJMESA-N 469.523 3.871 5 40 JHBB CC(C)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 13633091 VICODWHBTQVELO-UHFFFAOYSA-N 483.388 3.689 5 40 JHBB COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c([N+](=O)[O-])c3)[nH]c(=O)n2)cc1[N+](=O)[O-] 16227647 RUDKCPGOVXZLAM-FCXRPNKRSA-N 450.407 3.944 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20519109 VRLKJAQZVVFGMN-IYXIZZNPSA-N 490.516 3.948 5 40 JHBB Cc1cc(C)n2nc(CCCNc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3[N+](=O)[O-])cc2n1 48325847 FBINWCLKZMNURE-MRXNPFEDSA-N 486.598 3.720 5 40 JHBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408649526 LDAHIXCTNHEIFU-HBMCJLEFSA-N 461.474 3.565 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 9191367 HKXZXMOHWUWWHX-HNNXBMFYSA-N 481.958 3.995 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1 18096772 BNEXLFTYXKUVTR-HKBOAZHASA-N 478.392 3.693 5 40 JHBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCCC3)c2=N)cc1 101140884 YFVZLMMPYLOONX-UHFFFAOYSA-N 457.534 3.572 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 224159576 WWIXDGSKKBBFLW-UHFFFAOYSA-N 473.473 3.785 5 40 JHBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)scc12 9381334 PNNMZDXPXZXCRI-UHFFFAOYSA-N 464.459 3.784 5 40 JHBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16565725 MWPJWJRHHARHEB-LBPRGKRZSA-N 457.840 3.811 5 40 JHBB CC1=C[C@@H]2[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103459604 QNPDOFCZLATMOX-CZYKHXBRSA-N 459.502 3.852 5 40 JHBB CCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2cc(S(N)(=O)=O)ccc21 5983544 CZMCAKGLUCEIRS-UHFFFAOYSA-N 497.986 3.776 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(Cc2cccc3ccccc23)n1N 9129054 AJICWEJROQPNNU-AWEZNQCLSA-N 478.534 3.772 5 40 JHBB COc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)cc1[N+](=O)[O-] 9544464 TZUSABINGJSLSS-UHFFFAOYSA-N 489.440 3.508 5 40 JHBB COc1ccc([C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)cc1 12559002 SXUGOFWDBQLCST-KRWDZBQOSA-N 470.429 3.832 5 40 JHBB CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18067029 DECWLHVNAHLOPI-VJBWXMMDSA-N 472.457 3.604 5 40 JHBB CCCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101106710 YUYURBZESNOFCW-FAJYDZGRSA-N 476.508 3.815 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 408640959 BSQKAEUTUOZRKN-HNNXBMFYSA-N 473.441 3.528 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O 408642130 DNMMXRDAMHHQHX-FDFHNCONSA-N 475.501 3.955 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408648152 JRPROJJMYUZAKK-XQTRSNPVSA-N 477.517 3.953 5 40 JHBB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14276018 NPGMYDKXAFHJMM-UHFFFAOYSA-N 499.774 3.974 5 40 JHBB O=C(Nc1ccnn1C1CCCC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 14514397 MIONEUAEGVSYRT-UHFFFAOYSA-N 481.962 3.599 5 40 JHBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCC(=O)Nc2ccc(C)cn2)c([N+](=O)[O-])c1 62587281 WQLDIVAPZDPWAF-UHFFFAOYSA-N 483.550 3.954 5 40 JHBB CCCCCn1/c(=N\C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101244937 HTYSAEBNVGKELX-OLFWJLLRSA-N 488.544 3.766 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 138547678 ANSOZPNPFZJNTD-CPLUKWAASA-N 451.866 3.613 5 40 JHBB CCc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224965858 CPNPTNMBZHFOHP-MRXNPFEDSA-N 463.556 3.589 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225551877 BUIXLGLLOHHBEZ-HNNXBMFYSA-N 463.918 3.578 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 3327789 BAPJWMQFRPQWCK-UHFFFAOYSA-N 479.312 3.873 5 40 JHBB O=C(c1ccccc1)N1CCCC[C@H]1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8753616 PQEKZTNHBDMRHE-KNQAVFIVSA-N 457.552 3.690 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccncc12 12557622 XPLUVYKDMJKQFK-UHFFFAOYSA-N 466.441 3.673 5 40 JHBB COc1ccc([C@@H](CNc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])N2CCCC2)cc1 23744541 RKBTVPBRXWYFRY-JOCHJYFZSA-N 462.572 3.539 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 57317169 RSCWNPUZLBNMDV-UHFFFAOYSA-N 490.516 3.583 5 40 JHBB COc1ccc(CCn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100752391 VWMZGNZZXMJTMI-LJQANCHMSA-N 493.567 3.871 5 40 JHBB biogenic COc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1081976 KRXOSRNKAUJLSY-UHFFFAOYSA-N 451.435 3.882 5 40 JHBB CCCCN1C(=O)[C@@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 8993386 ZVLKSWDBHGRLPT-AFXVXQJMSA-N 459.502 3.853 5 40 JHBB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)scc12 9381505 UYHRJIVVFWXNSZ-UHFFFAOYSA-N 482.449 3.924 5 40 JHBB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OCC 9671290 UXOYZFOQDKGWBQ-UHFFFAOYSA-N 462.524 3.630 5 40 JHBB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 12757840 UYSSQOZMPIJQHU-QFIPXVFZSA-N 487.578 3.676 5 40 JHBB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 13112698 QXYJNVSABZBVJH-KRWDZBQOSA-N 487.578 3.514 5 40 JHBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2)CC1 14276812 OCRLMANUGFZSCK-UHFFFAOYSA-N 499.593 3.569 5 40 JHBB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 22531449 HBXHFCFHUIYXPD-UHFFFAOYSA-N 451.302 3.833 5 40 JHBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccccc2)N1 254306757 BUHIPWQUUOSWCH-UEXGIBASSA-N 475.379 3.802 5 40 JHBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC 408566826 PCZUPJAPJTWOGY-JYRDAUFZSA-N 490.354 3.815 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685098 OQMMBSUYRKMDAJ-ISZNXKAUSA-N 498.879 3.745 5 40 JHBB COc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409148357 PLDTUWXHLIRFPY-FQEVSTJZSA-N 498.565 3.590 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@H]2CCCC[C@H]2C)n[nH]1 409162829 IKUPKWMEYFSIJN-LJHODMEESA-N 474.587 3.627 5 40 JHBB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccc([N+](=O)[O-])cc4)nnc23)cc1 6148370 PPZAQLLQJISHTL-UHFFFAOYSA-N 474.502 3.986 5 40 JHBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 13552772 SWDHZKXTZGDMIV-LQWHRVPQSA-N 475.379 3.959 5 40 JHBB COc1cc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc(OC)c1OC 15205605 VGEVNOFLRHQNFB-UHFFFAOYSA-N 465.528 3.929 5 40 JHBB Cc1onc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1Cn1cc([N+](=O)[O-])cn1 22712222 YBNMLDAOHDXWPG-UHFFFAOYSA-N 476.280 3.940 5 40 JHBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(Cl)c1 408604395 INXJHTIIEPZRAA-SOFGYWHQSA-N 472.841 3.646 5 40 JHBB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C 408671651 SXVMSBCIIMHWED-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408683483 LHZHJXPWBCXGSA-LSBZLQRGSA-N 483.908 3.910 5 40 JHBB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409347180 MOUOZCKEALARFP-LBPRGKRZSA-N 474.930 3.599 5 40 JHBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1 9462244 OYHNENUORQOPTP-IBGZPJMESA-N 455.518 3.839 5 40 JHBB Cc1ccc(OCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)c([N+](=O)[O-])n1 9631589 GYPZNNCXANDOAC-UHFFFAOYSA-N 475.505 3.765 5 40 JHBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 16194122 ZQBOSCFPQNFXJY-UHFFFAOYSA-N 488.500 3.596 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 408558664 JXWNFNUJHLXLKH-UHFFFAOYSA-N 467.931 3.605 5 40 JHBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 408677362 BTUFVQJIKZARPC-UHFFFAOYSA-N 463.833 3.785 5 40 JHBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)c1 2246591 SDGIKKYMPLZJNX-KRWDZBQOSA-N 471.517 3.788 5 40 JHBB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 3530209 FOYFQOCTWHIVFI-MRXNPFEDSA-N 495.513 3.530 5 40 JHBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 9129319 RGVHJMBPOBBUGL-CYBMUJFWSA-N 467.400 3.634 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 9289637 CZUNHUGNEQTRMQ-UHFFFAOYSA-N 498.542 3.921 5 40 JHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187149 UGGQGAXPEWDAEO-LLVKDONJSA-N 472.957 3.711 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 22712465 PQDZNTNHVKSUTB-UHFFFAOYSA-N 476.470 3.531 5 40 JHBB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)cc1[N+](=O)[O-] 57315578 IRZDJKWGYOCCJX-UHFFFAOYSA-N 485.303 3.952 5 40 JHBB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c(C)c3)nn12 8832764 KMNKTEJAFJSGQJ-UHFFFAOYSA-N 497.562 3.767 5 40 JHBB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9795748 YGJBKZADUVMDBH-UHFFFAOYSA-N 455.492 3.828 5 40 JHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12762488 WLFYDZBMBHCEJU-KRWDZBQOSA-N 471.579 3.704 5 40 JHBB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC 22522877 KPRPKKVJLKOAAK-UHFFFAOYSA-N 499.545 3.526 5 40 JHBB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101164954 KFACZZMHGZERSN-BDTNDASRSA-N 474.429 3.863 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCCCC1 106757298 WSAUWSCSFKAXML-PDGQHHTCSA-N 468.491 3.831 5 40 JHBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223816745 OWBCESOJKPWRNY-HXUWFJFHSA-N 475.517 3.845 5 40 JHBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225163766 AFFZRMHHSFUTKL-INIZCTEOSA-N 477.945 3.969 5 40 JHBB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1 8685607 DZCXSYPZSBJMJA-CQSZACIVSA-N 451.932 3.526 5 40 JHBB COc1cc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1 8883143 RPFCJTIQRGWTRA-UHFFFAOYSA-N 458.448 3.632 5 40 JHBB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9634188 WMFWYRPYEJZKDQ-SNVBAGLBSA-N 473.791 3.567 5 40 JHBB Cc1ccc(-n2nnnc2C(=Cc2ccc([N+](=O)[O-])cc2)c2nnnn2-c2ccc(C)cc2)cc1 12080326 JUFIYWFTIOSNDN-UHFFFAOYSA-N 465.477 3.752 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 12485348 KWCOKRBMVKCXAZ-UHFFFAOYSA-N 472.435 3.565 5 40 JHBB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 12556345 QGOZRRMPADLFOK-UHFFFAOYSA-N 472.958 3.827 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4ccco4)CC3)c([N+](=O)[O-])c2)c(C)c1 12591682 PUISFRUILOZWGD-UHFFFAOYSA-N 470.551 3.928 5 40 JHBB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 89326633 ZYFANALSTKQSGY-UHFFFAOYSA-N 466.947 3.741 5 40 JHBB COC(=O)c1ccc(N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 100926922 FOKJEKJKWZZUKW-UHFFFAOYSA-N 499.358 3.543 5 40 JHBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3Cl)c2=N)cc1 101100033 IUYIFBKMOYRUFY-UHFFFAOYSA-N 499.958 3.769 5 40 JHBB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223115502 DLTKUQDDUJLVRN-OPAMFIHVSA-N 459.568 3.896 5 40 JHBB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 223137485 WPHDCMQLQRMLIA-DNVCBOLYSA-N 463.556 3.588 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 3306078 BWHBMNMSXUWTJR-UHFFFAOYSA-N 458.926 3.943 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccncc4)cc3c3ccnc2c31 8792236 MVTAAKBDZWHJQG-UHFFFAOYSA-N 494.507 3.699 5 40 JHBB biogenic C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25436338 UMQLBRVHYBTZGJ-CGAJTASUSA-N 452.341 3.926 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccco3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 104000714 VFMPYJZDCPVAIX-MSYGRNIXSA-N 469.453 3.769 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408652912 PDHUBVJWDSLNGP-MMACOIQUSA-N 481.892 3.686 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686289 RICVWYBVGBMBNZ-AFHBHXEDSA-N 453.882 3.837 5 40 JHBB COc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc(OC)c1OC 12491944 NAQYRSJWZIIYBQ-LBPRGKRZSA-N 473.511 3.535 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] 17721014 DLCXWAVHLBTHNB-QHCPKHFHSA-N 461.474 3.854 5 40 JHBB COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)n2c1CCC2 32915586 ATNKZHOVGJOCHQ-UHFFFAOYSA-N 493.472 3.844 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 89639177 CJSDEPVIUGAUKT-INIZCTEOSA-N 483.502 3.888 5 40 JHBB CC(C)CS(=O)(=O)c1cc([N+](=O)[O-])cc2c1c(C(=O)N1CCCCC1)nn2-c1ccccc1 1083576 TUHBLDVWQSPSNB-UHFFFAOYSA-N 470.551 3.990 5 40 JHBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9124783 PKTUGGNAWYVEAO-NSHDSACASA-N 491.378 3.572 5 40 JHBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)SCC3)cc1 9415899 BWOIXOUWTYIOAI-UHFFFAOYSA-N 484.559 3.918 5 40 JHBB CC(C)C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 12562495 QQIURNAMESHFSE-IBGZPJMESA-N 486.535 3.693 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCN(Cc2ccncc2)CC1 20668863 IPVSYAVLZDXJFY-UHFFFAOYSA-N 487.969 3.766 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccs1 101111391 ISIBVFAYNKOERJ-QQTULTPQSA-N 450.520 3.518 5 40 JHBB Nc1nnc(/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)o1 226338830 HFDQVLPQSJSFAP-XBXARRHUSA-N 464.219 3.914 5 40 JHBB CCOc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408566131 MXRLJPUJFGMNGY-UPNLOYSTSA-N 490.354 3.768 5 40 JHBB CCCCOc1cccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)c1 408573789 OGNFVGCPMYYHDD-UHFFFAOYSA-N 455.511 3.913 5 40 JHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 408603996 HZSZIBPXYMIWTR-ONNFQVAWSA-N 494.504 3.924 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408678790 DAWVORHONRVEDX-ROUUACIJSA-N 484.852 3.665 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408688936 XGWQIUJQHKGHLG-ORPRQENYSA-N 498.879 3.911 5 40 JHBB COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 8685442 RBEWXWMKIUELTH-LBPRGKRZSA-N 452.305 3.834 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 9316310 LORNJKZZNUPVBF-KTJVCJKDSA-N 495.491 3.876 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707355 QMTFTZQQRYOBIX-UHFFFAOYSA-N 471.322 3.571 5 40 JHBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2ccccc2O1 41158181 SVVQNAGQYBVMAW-OAHLLOKOSA-N 453.476 3.823 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 89780755 HHNVWVRQHRKRLZ-UHFFFAOYSA-N 495.941 3.608 5 40 JHBB COc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N 101158835 GGSDPPFJFCLEES-UHFFFAOYSA-N 465.513 3.632 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 103530735 WEPDJTNPXHRBCG-GGPCPXQKSA-N 471.391 3.788 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408652063 OCROXBPKJJODSA-VUEDXXQZSA-N 481.892 3.519 5 40 JHBB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12565266 LLWYBMGYXMPODP-SFHVURJKSA-N 480.468 3.765 5 40 JHBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1 15391432 KIMIBXKXRHTHHI-UHFFFAOYSA-N 482.883 3.523 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 43994074 FXYCRPALNXTOED-VANUSSGQSA-N 455.470 3.733 5 40 JHBB O=C(CSc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)NCc1ccco1 65535143 IWZGWCHOFYAHGW-UHFFFAOYSA-N 460.475 3.854 5 40 JHBB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 225086973 RGNZVIFWPGUWMJ-HXUWFJFHSA-N 477.583 3.589 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408685375 PGMCGWFMZUZVSO-QCQDVHPSSA-N 498.879 3.745 5 40 JHBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)c4ccccc4)n32)CO1 9345756 YQZTYYYKYSWVDA-UHFFFAOYSA-N 450.549 3.813 5 40 JHBB Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 408544998 WSLSKDQQVJAHLE-UHFFFAOYSA-N 464.301 3.589 5 40 JHBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccccc1)OCc1ccccc1 408737803 OWWCKJPGVRQKST-QFIPXVFZSA-N 462.458 3.858 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 3254714 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O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 103517413 KVIVOKGVQHEWLH-LWSSLDFYSA-N 465.465 3.993 5 40 JHBB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224518131 OVZXDKOENCWJPA-OAQYLSRUSA-N 459.568 3.780 5 40 JHBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260939219 QWLHVTGYUDQILM-IIBYNOLFSA-N 489.594 3.904 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c(OC)c1 408566830 PEYYVOOYYPMHTA-UHFFFAOYSA-N 471.491 3.974 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 408580550 CHNUSQBMWFEPSY-UHFFFAOYSA-N 457.512 3.930 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1C 408641620 CVMMUDTXEKZQHD-ITEAAPOESA-N 477.517 3.873 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(Cl)cc1Cl 408657532 UMEMBMUBALSIQY-UHFFFAOYSA-N 464.261 3.681 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408660230 WPKHHDPGHUJCQD-VOBQZIQPSA-N 483.908 3.910 5 40 JHBB O=c1cc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c2c(ccc3ccccc32)o1 8779947 DAGQYDGBIYRXEM-UHFFFAOYSA-N 468.556 3.654 5 40 JHBB COc1ccc(OCCCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9986247 YFDLLWMCIISDJF-UHFFFAOYSA-N 456.373 3.963 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 32999801 FOHQJDDSOCCGSK-ROUUACIJSA-N 454.310 3.506 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408650747 BNSBAWVQSLEAMI-HBGVWJBISA-N 491.500 3.541 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1877004 QQXLCBRLTRIJQU-YIXXDRMTSA-N 496.523 3.970 5 40 JHBB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1[N+](=O)[O-] 9360906 RSTJRUJDRXPOHC-ODAXIHTASA-N 469.453 3.895 5 40 JHBB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 13786262 JQXIKWXARFCYJB-BUUDZMLXSA-N 469.538 3.919 5 40 JHBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 14271832 RXPNLSLYZFVZJZ-UHFFFAOYSA-N 465.535 3.733 5 40 JHBB O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24657784 PZVQIFMILCVWTF-VWLOTQADSA-N 485.544 3.880 5 40 JHBB CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O 2968056 RDKDNOCVEAPLAQ-IBGZPJMESA-N 465.535 3.793 5 40 JHBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1 8826161 CORDXFATDDVSOU-VXGBXAGGSA-N 494.016 3.777 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9191290 OYBIPZLORQVUKO-NJDAHSKKSA-N 460.402 3.554 5 40 JHBB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20039683 FKWDNLRUDSKLFC-UHFFFAOYSA-N 461.540 3.508 5 40 JHBB CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc([N+](=O)[O-])cc2)CO1 1315723 JYSDDPGGQWUOCH-UHFFFAOYSA-N 466.519 3.793 5 40 JHBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 2211733 SSRGDPDVUOPIAZ-UHFFFAOYSA-N 454.430 3.577 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 9191364 HJIMKDBJRTYDEA-AWEZNQCLSA-N 467.931 3.686 5 40 JHBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Br 16385720 RBEMGKIISDLLOI-UHFFFAOYSA-N 458.677 3.836 5 40 JHBB CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 20216202 FFTDYOLCQKHPRP-ZDUSSCGKSA-N 496.549 3.877 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26887510 YGTSUAKMYYDKCD-HOTGVXAUSA-N 469.567 3.919 5 40 JHBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 138532070 PNNKJXDRUVIAPA-SFHVURJKSA-N 453.495 3.563 5 40 JHBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408564938 GOILNJUYHLMTIB-SFFNPBHPSA-N 458.312 3.512 5 40 JHBB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O 408662816 NRJOJXBRJMDEHE-HNNXBMFYSA-N 473.441 3.748 5 40 JHBB Cc1ccc(C(=O)NCc2cccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 2087587 IXYGAOOANAMTIE-UHFFFAOYSA-N 462.462 3.980 5 40 JHBB CCCCc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9281156 UTAJINZPXYMPJU-UHFFFAOYSA-N 472.505 3.593 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25620899 KBSJOPXUDTYDPX-NRFANRHFSA-N 486.956 3.880 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 33668949 PPWBRWAYUPPQTP-HNNXBMFYSA-N 498.565 3.745 5 40 JHBB CCSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 40398915 UBVDPEPLCPQLPH-NJSLBKSFSA-N 450.568 3.928 5 40 JHBB CCCCCn1/c(=N\C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101125008 NTTRQAXZCIDJQB-FAJYDZGRSA-N 476.508 3.896 5 40 JHBB 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453.220 3.641 5 40 JHBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223668023 IECCOJUAHVBIJE-FQEVSTJZSA-N 487.553 3.713 5 40 JHBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224346284 SPACEAUMGSXUSO-SFHVURJKSA-N 463.918 3.579 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408684846 OGQWKSCZYVMKGS-HBGVWJBISA-N 463.490 3.565 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409136164 TXKJAYUPCOIYEN-OAHLLOKOSA-N 468.539 3.736 5 40 JHBB O=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3143973 UNBNRZGQPGGNBV-UHFFFAOYSA-N 467.346 3.944 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 9328081 XFSMUOFBZSDDGX-HXUWFJFHSA-N 497.533 3.554 5 40 JHBB CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12751298 QXSHCHYCHFVLQR-IBGZPJMESA-N 477.608 3.901 5 40 JHBB 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O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 20436123 OHVNDFNQBYLYCQ-UHFFFAOYSA-N 484.597 3.906 5 40 JHBB CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1 44950154 RRGDVMSGUAGGPZ-UHFFFAOYSA-N 491.547 3.736 5 40 JHBB Clc1ccc(CN2CC[N+]3(CC2)CC[N+]2(CCN(Cc4ccc(Cl)cc4)CC2)CC3)cc1 67350922 SJUIGIXGRFHMFN-UHFFFAOYSA-N 475.508 3.972 5 40 JHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225164618 ZEAFYMNQIFMCKL-HOTGVXAUSA-N 477.945 3.968 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225571282 CZDHPCHXNICGEA-HNNXBMFYSA-N 463.918 3.578 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247308417 HNVGXGHZRLFXTL-XQUALCHDSA-N 498.470 3.762 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689320 YDIKSTXQSSDYAV-USEHDAJUSA-N 496.863 3.521 5 40 JHBB 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O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC[C@H]1c1nnc2n1CCCCC2 9314451 KRHSHYGMOXZXEF-FQEVSTJZSA-N 488.614 3.819 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1 9662887 DYOXCKGIGMXWNR-UHFFFAOYSA-N 463.493 3.727 5 40 JHBB COc1cc(CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O 22537486 WAYCBTMTNJETKA-UHFFFAOYSA-N 455.511 3.751 5 40 JHBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc([N+](=O)[O-])ccc21 9546162 YHCAFRLBHMMGRE-UHFFFAOYSA-N 477.502 3.772 5 40 JHBB c1ccc2nc3c(nc2c1)sc1nc(-c2nc4sc5nc6ccccc6nc5n4n2)nn13 16545535 CISDNJJDECGKHU-UHFFFAOYSA-N 452.488 3.755 5 40 JHBB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619008 BODSRKMXQUVPGG-UHFFFAOYSA-N 486.467 3.953 5 40 JHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 102593744 KGMRIFDTKMSSJD-UHFFFAOYSA-N 494.372 3.703 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408651621 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Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cccc1[N+](=O)[O-] 12583272 HXBYWDYJRGUQDY-UHFFFAOYSA-N 455.448 3.685 5 40 JHBB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 12993327 MEECUQAYIAMFKC-UHFFFAOYSA-N 462.506 3.868 5 40 JHBB CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1C 14274372 VFSOSZQTWWQSAU-UHFFFAOYSA-N 477.568 3.654 5 40 JHBB Cc1ccccc1Cn1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)n1 36618994 KLSAAJYDHYUKII-UHFFFAOYSA-N 454.450 3.505 5 40 JHBB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 57316068 VYKDYKOFKPDPHW-UHFFFAOYSA-N 459.509 3.688 5 40 JHBB CCc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408641217 LFAXFVGEXOEVKA-QGZVFWFLSA-N 499.479 3.916 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408678107 COCOYOXMGDHHKG-XAMWDVODSA-N 498.333 3.946 5 40 JHBB COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 874047 XGXCZAHLMSLLBB-UHFFFAOYSA-N 453.524 3.956 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 6906650 ANERHGSADWOYFE-UHFFFAOYSA-N 466.475 3.685 5 40 JHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 12374752 UZJYFMNLDQLWBQ-UHFFFAOYSA-N 459.216 3.503 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Sc1nnc2n1CCCCC2 40019892 AJSFNQPSDIAUIS-UHFFFAOYSA-N 451.574 3.629 5 40 JHBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 108047816 VQCJYXKXFQWWDL-UNOMPAQXSA-N 477.429 3.646 5 40 JHBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223292827 BUBUDLAJVKUJPK-MRXNPFEDSA-N 463.556 3.679 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O 408640997 BYGHSGPWTBJXFY-LLVKDONJSA-N 467.261 3.689 5 40 JHBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1c(F)cc(F)cc1Br 826483 DAPZBHOLLRACOB-UHFFFAOYSA-N 454.025 3.542 5 40 JHBB COc1nn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731331 DPOOLHRGYKOACF-UHFFFAOYSA-N 478.897 3.675 5 40 JHBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nnc2-c2ccncc2)cc1 8445739 JTDSUSFJWGJAAR-UHFFFAOYSA-N 492.517 3.986 5 40 JHBB COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3C=CC=NN32)cc1 9043381 PKBKFBIRMARUGK-IYWMVGAKSA-N 456.296 3.678 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC[C@@H]1c1nnc2n1CCCCC2 9314450 KRHSHYGMOXZXEF-HXUWFJFHSA-N 488.614 3.819 5 40 JHBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1 13591018 UBDMRCUDVWTBNT-GOOXQAOHSA-N 496.548 3.782 5 40 JHBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 16044555 BQVLJKFIKVARRO-UHFFFAOYSA-N 485.537 3.618 5 40 JHBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20153265 RVEZNFCNOJRUFP-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 24811860 LPVHTKLWQOYXMH-HNNXBMFYSA-N 496.486 3.630 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1c(F)cccc1F 101176647 LXZDQYGKFIZMKY-IADYIPOJSA-N 480.471 3.501 5 40 JHBB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 107668992 YOCPPUYJMHODJD-HXUWFJFHSA-N 498.565 3.590 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 138652225 RANZAPAAZAYCBV-PMACEKPBSA-N 481.892 3.830 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 205870896 MDABQVKWBSOMRB-CIAFOILYSA-N 497.529 3.841 5 40 JHBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223674942 FRRWCLSVPFGMLI-NHCUHLMSSA-N 452.492 3.785 5 40 JHBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260939180 QOKOFAZVBJNKSV-FOIQADDNSA-N 475.567 3.514 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc([N+](=O)[O-])c1O 409159000 UQPDLCROQJMOAA-CXUHLZMHSA-N 457.464 3.601 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 8898180 MTMXWNSHUYEVDH-UHFFFAOYSA-N 477.974 3.526 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(F)c2)c1 9285213 XXTNDTKXUGJXNY-UHFFFAOYSA-N 463.418 3.935 5 40 JHBB Cc1ccc(C(=O)NCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 10484099 XSYMGCSGLVMFMD-UHFFFAOYSA-N 483.528 3.861 5 40 JHBB COc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10912147 OUKXQIZSORVNTB-ZIAGYGMSSA-N 478.885 3.842 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13816053 BYOKQPLVILKYTH-XOEOCAAJSA-N 472.526 3.809 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408684844 OGQWKSCZYVMKGS-DQLDELGASA-N 463.490 3.565 5 40 JHBB C[C@@H](c1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N(C)C 2663335 RALGUNYLJVZFLJ-LBPRGKRZSA-N 462.482 3.807 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c([N+](=O)[O-])c1 9779113 KMMNKNNXUQGKFA-LBPRGKRZSA-N 480.568 3.680 5 40 JHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 25057022 ZWFBJELLCWNDFG-UHFFFAOYSA-N 460.943 3.947 5 40 JHBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccc(F)cc12 36550921 HPRJXULVRAQMKH-YPAAYVHUSA-N 489.459 3.838 5 40 JHBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 245241055 WQVGQOIEYQJWRB-XHOYROJHSA-N 466.494 3.856 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408686533 RQSSPNVGSSZQIL-XAMWDVODSA-N 451.866 3.613 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408687867 VGZYKWOFCCLEAJ-VOWSPCBNSA-N 498.879 3.911 5 40 JHBB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409345105 KKAAIAYVVZUCQK-GFCCVEGCSA-N 474.930 3.599 5 40 JHBB CCCCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 8743241 ZSRQHBNJOLHOFB-ZEQKJWHPSA-N 490.560 3.968 5 40 JHBB biogenic COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-n2cccc2)cc1 9738180 SWHWYZBSOXEYGY-UHFFFAOYSA-N 464.507 3.629 5 40 JHBB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(c1ccccc1)c1ccccc1 24748720 KKVNKWDIEIVRDJ-SANMLTNESA-N 472.501 3.610 5 40 JHBB CC(C)(C(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1)c1ccccc1 29373647 PHHMYLWSOSYENE-UHFFFAOYSA-N 467.569 3.803 5 40 JHBB O=C1C[C@@H](C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)CN1c1ccccc1Cl 32972114 QBLBCEROMPBZPH-OAHLLOKOSA-N 481.896 3.842 5 40 JHBB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 33736859 AULWBKBAKJMRAR-UHFFFAOYSA-N 467.536 3.759 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225742927 PGPRALCCZQWPLL-UHFFFAOYSA-N 471.516 3.829 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] 408553246 PJXUMLKQHDLWFG-UHFFFAOYSA-N 469.519 3.741 5 40 JHBB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 3845968 WQVGQOIEYQJWRB-UECWXEIQSA-N 466.494 3.856 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1[N+](=O)[O-] 8832767 TWDWCGRYQYVDLZ-UHFFFAOYSA-N 497.562 3.903 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 12491753 VRMAOUUMDXSNRS-UHFFFAOYSA-N 450.480 3.929 5 40 JHBB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 13786266 JQXIKWXARFCYJB-NIJXNBFTSA-N 469.538 3.919 5 40 JHBB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 13955931 FDQWSKPQQDNTNM-UHFFFAOYSA-N 453.524 3.979 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] 14275913 RIGJIUZNIFMGTG-UHFFFAOYSA-N 489.266 3.864 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797557 HCGPSFPSANXTGG-LJQANCHMSA-N 453.495 3.570 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223836281 KMBWRAJTEMBOCF-OAHLLOKOSA-N 463.918 3.579 5 40 JHBB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 409367917 JPCFUVDUSZDCBS-KWMZMRFFSA-N 468.465 3.648 5 40 JHBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)c1 2251308 YQDSNOLSMXEZAW-KRWDZBQOSA-N 471.517 3.788 5 40 JHBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 2720956 YVPUAARYTZUVCB-UHFFFAOYSA-N 463.519 3.880 5 40 JHBB CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(OCC)c1OCC 9137129 JQPVVNFPXWWSEX-UHFFFAOYSA-N 462.455 3.595 5 40 JHBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccccc3[N+](=O)[O-])scc12 9381332 HHPLPGDWDRVEFE-UHFFFAOYSA-N 464.459 3.784 5 40 JHBB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc([N+](=O)[O-])cc5c4OCOC5)C3=O)ccc2c1 12799698 BXGGJHFCUOQROI-XMMPIXPASA-N 463.446 3.590 5 40 JHBB CCc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22718071 YUOVNRSBKNIZJZ-UHFFFAOYSA-N 481.290 3.851 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(F)c1 101084576 XACUTEMIPGYQGU-FAJYDZGRSA-N 476.508 3.671 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1C 408665993 ZUNHEPXHFJKXQS-VZPUWSDOSA-N 475.501 3.649 5 40 JHBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@@H](C)C(=O)O 409014409 PMNSJAZULMJSQO-XACIZNRCSA-N 458.448 3.692 5 40 JHBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1 409356468 GWIPXMFIBUMJJV-ODLFYWEKSA-N 487.559 3.971 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18124975 FDRVSJNOHWSSMY-ZLNRFVROSA-N 493.447 3.802 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1C 101176600 ZULQCNZQQYFIGM-NFFVHWSESA-N 458.518 3.531 5 40 JHBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1 223526405 ZKKJXWRKNMUOHR-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 224822745 NYWQFLFDMLNJPH-UHFFFAOYSA-N 487.509 3.509 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 408658976 VJDAHRNYLUFTMK-JKNIEJROSA-N 499.523 3.505 5 40 JHBB CCOC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409373247 STKBUTVSJVQQAN-FPAXGFGJSA-N 468.465 3.648 5 40 JHBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 9111476 WTXABRIVQCVUTO-LIONHTAISA-N 494.507 3.932 5 40 JHBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1cccc2ccccc12 9632222 SSJJVHWJPRAMRP-UHFFFAOYSA-N 455.492 3.550 5 40 JHBB CC1CCN(S(=O)(=O)c2ccc(NCCc3nccn3Cc3ccccc3)c([N+](=O)[O-])c2)CC1 12558860 GWDLUQPIKLRQRX-UHFFFAOYSA-N 483.594 3.915 5 40 JHBB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22740945 PVHYHSOURJSJHC-KRWDZBQOSA-N 483.594 3.937 5 40 JHBB C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=N)c1ccccc1 101159026 AFZPVIPVJBSZKI-QGZVFWFLSA-N 467.504 3.807 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] 408643140 FPCRAMOZYVLXNN-LBPRGKRZSA-N 451.262 3.989 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 409272066 OGHGGWHLGSGXAF-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB COCCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792119 PORYACDVZLWPLO-HNNXBMFYSA-N 489.528 3.529 5 40 JHBB biogenic Cc1c(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cccc1[N+](=O)[O-] 13677747 DVQNQKIQQNBQJB-QFIPXVFZSA-N 467.503 3.639 5 40 JHBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 14801629 HJWUOZVYOQFSCC-ZHACJKMWSA-N 484.468 3.802 5 40 JHBB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 98092002 ONLHTXYLWKDWEB-QGZVFWFLSA-N 457.512 3.625 5 40 JHBB COC(=O)[C@]1(O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100514307 KOZFSFOOLUUIGY-PZYXKGHLSA-N 467.481 3.655 5 40 JHBB biogenic C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408649579 LJSLLYYRCYIHEO-GVCQBIPESA-N 495.919 3.908 5 40 JHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 408663892 IBDBVIRROOTYGX-UHFFFAOYSA-N 478.299 3.956 5 40 JHBB Cc1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409169602 RAMQNBCLIKZLEV-IBGZPJMESA-N 468.539 3.879 5 40 JHBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)c1 15161819 HRSFLQZKBPUQFU-UHFFFAOYSA-N 475.530 3.716 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 205870032 NQXSTDARGQYKEP-WOJGMQOQSA-N 457.464 3.522 5 40 JHBB CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 223273914 QHTGKWZHOKVMFU-IBGZPJMESA-N 493.582 3.734 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)S(C)(=O)=O 224856249 SPRAKAKTJLRGPJ-UHFFFAOYSA-N 497.573 3.816 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565627 LOTABWZHCNNEPS-YQIFXUADSA-N 459.502 3.796 5 40 JHBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 409346729 NROMCALJZYXELG-UHFFFAOYSA-N 473.482 3.885 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 2403244 HGDJJXYKSFOMPX-UHFFFAOYSA-N 459.506 3.727 5 40 JHBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9367327 NAGICZWLGMFODZ-MRXNPFEDSA-N 457.556 3.886 5 40 JHBB Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 11758244 BINUYQJFDIMBRA-UHFFFAOYSA-N 487.900 3.687 5 40 JHBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 14276731 IVMYBFHRIHLANO-UHFFFAOYSA-N 489.985 3.742 5 40 JHBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400286 WTNLUHNTVDCFSW-GFCCVEGCSA-N 488.382 3.505 5 40 JHBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225128863 LLLKIPFUGBGAFI-HXUWFJFHSA-N 457.527 3.624 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408685466 PNFRDCFYGSNLHQ-SLUIBLPYSA-N 498.333 3.946 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1Cl 9252367 VBQNQIYYLCLPGC-OAHLLOKOSA-N 481.958 3.995 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccco3)[C@@H]2C1=O 9312856 VFMPYJZDCPVAIX-IITNATTFSA-N 469.453 3.769 5 40 JHBB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 9426379 KMEIPIDSYGTRNU-HXUWFJFHSA-N 455.492 3.548 5 40 JHBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cc(C)ccc1C 9510110 CZZVMFARLBUTJI-GOSISDBHSA-N 493.969 3.898 5 40 JHBB COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504937 XVPMGUDCJALDCW-SANMLTNESA-N 499.575 3.858 5 40 JHBB Cc1c(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cccc1[N+](=O)[O-] 13677749 DVQNQKIQQNBQJB-JOCHJYFZSA-N 467.503 3.639 5 40 JHBB COc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1[N+](=O)[O-] 14275909 VXPHMNMOUIFXHY-UHFFFAOYSA-N 491.694 3.988 5 40 JHBB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 16991988 OOGSJWMMIVQYHQ-UHFFFAOYSA-N 463.537 3.565 5 40 JHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(O)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 19075519 TYPURUKJXUUNJX-UHFFFAOYSA-N 452.375 3.923 5 40 JHBB CCSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 20029536 ITYOABNQSKMOKE-UHFFFAOYSA-N 456.597 3.687 5 40 JHBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 20411808 CDSYELVDRHUEBO-UHFFFAOYSA-N 470.507 3.859 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 23989530 FSMSIQBJGBFHOD-CJHOVAGGSA-N 484.984 3.860 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103953604 LORNJKZZNUPVBF-YFJHUXEUSA-N 495.491 3.876 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1OC 137693362 MZKMTRNIPORLGH-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1)N1CCCCC1 225563307 DJWGUXVTWMYZEK-UHFFFAOYSA-N 467.522 3.673 5 40 JHBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 8835420 WGUYFSQCPDIVCS-UHFFFAOYSA-N 484.563 3.890 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccccc3C=C[C@H]21 9316316 LORNJKZZNUPVBF-HVHOJJEHSA-N 495.491 3.876 5 40 JHBB Cc1ccc([C@@](O)(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C(F)(F)F)o1 22406339 WQWWQBAXMYBOMA-SFHVURJKSA-N 477.461 3.533 5 40 JHBB COc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])c(OC)c1OC 24454819 OECNQHGLFCNOLC-UHFFFAOYSA-N 456.495 3.973 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 33793630 MXIXCOUMDBPOSP-UHFFFAOYSA-N 463.903 3.695 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 223485366 RMKJBWPRJZXROT-SFHVURJKSA-N 477.583 3.952 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCN(c2ccccc2)CC1 409015144 YTRZJJJRDOTFGB-CPNJWEJPSA-N 486.937 3.633 5 40 JHBB COc1cc(OC)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 3277248 WZPDVBCZNQCZLG-GFCCVEGCSA-N 457.464 3.920 5 40 JHBB C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)NC(N)=O 8686252 YNXRJAKIKJRXBY-SECBINFHSA-N 453.402 3.628 5 40 JHBB CCOC(=O)c1sc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OCC)c1C 8791122 SWODCFGFMXRFMA-UHFFFAOYSA-N 498.897 3.767 5 40 JHBB Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 9097260 XXLNGMWIRZODCG-UHFFFAOYSA-N 491.323 3.993 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083551 MKZVRYGEGSVKGJ-MRXNPFEDSA-N 493.911 3.557 5 40 JHBB CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20098380 SHSHVOCTKFNCFZ-QHCPKHFHSA-N 472.553 3.796 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36311789 BYOKQPLVILKYTH-WTEVXDJOSA-N 472.526 3.809 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](CN3CCOCC3)c3ccccc3)c([N+](=O)[O-])c2)C1 104104762 PUROQCBPVVYMFW-WMZHIEFXSA-N 488.610 3.501 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224843863 MQEZBDVGZXFESI-KRWDZBQOSA-N 487.528 3.988 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 409211334 NNQPDWOVHOXNKB-WOJGMQOQSA-N 480.408 3.534 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 408664160 YVXIQOMWHDDEKK-LJQANCHMSA-N 489.440 3.949 5 40 JHBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)C(C)C)c1 409173481 ISFMLGKYYGWGAW-HXUWFJFHSA-N 498.565 3.595 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)cc1 876189 OPMIXKAWXZXNIF-IBGZPJMESA-N 469.523 3.772 5 40 JHBB CC(=O)Nc1ccc(NC(=O)CSc2ccc([S@](=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 9082912 LEJPPOHKQPRCQB-SSEXGKCCSA-N 461.443 3.911 5 40 JHBB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 9631926 XDNMZRJAEGKWPU-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 12539969 SHLXLGBGXSXVCC-UHFFFAOYSA-N 451.932 3.904 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17826011 GIUAHDPHIGWPKA-KRWDZBQOSA-N 474.583 3.717 5 40 JHBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 40398936 OJZRSALLUSIPAX-UHFFFAOYSA-N 450.911 3.573 5 40 JHBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400294 GEAMIOXMYIEXAL-AWEZNQCLSA-N 488.382 3.505 5 40 JHBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 40717714 FLHNZKWDSYFHAS-UHFFFAOYSA-N 451.435 3.730 5 40 JHBB COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1cccc(Br)c1 62577392 LKUFTUIXTUANCL-INIZCTEOSA-N 471.329 3.557 5 40 JHBB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 9491919 IVOZAQSDCRKTBQ-UHFFFAOYSA-N 474.823 3.785 5 40 JHBB CCC(=O)Nc1ccc(CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12545922 ULDCCDFIMSSVNX-UHFFFAOYSA-N 479.459 3.994 5 40 JHBB NC(=O)c1ccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c([N+](=O)[O-])c1 16817609 MMALXGPSFBRAIB-UHFFFAOYSA-N 466.567 3.612 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4cc(C)no4)CC3)c([N+](=O)[O-])c2)c(C)c1 57292148 UQTLLEIDAMELCG-UHFFFAOYSA-N 485.566 3.631 5 40 JHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409368394 UEHDZVSOJJVAEL-CAZKKTPXSA-N 459.389 3.519 5 40 JHBB COc1ccccc1-c1nc(COC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])cs1 11270617 HJOOVUIUIPOECU-UHFFFAOYSA-N 455.492 3.921 5 40 JHBB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 13016550 DBWLBXNDCDQGJV-UHFFFAOYSA-N 469.837 3.935 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3CCc3ccccc3)CC2)cc1 13505461 ZVDOZHKPTSFOHB-RUZDIDTESA-N 487.539 3.875 5 40 JHBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Br)c1 16386142 PGJGFNREFRBHAQ-UHFFFAOYSA-N 483.775 3.848 5 40 JHBB CCCn1/c(=N\C(=O)c2cc(C)cc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176362 PKUJIAVCFGLZAI-NFFVHWSESA-N 458.518 3.594 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(OC)cc1 102919232 LJTFWABASOTMEL-RMLRFSFXSA-N 488.544 3.540 5 40 JHBB CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 103458963 CSZJPPHABIOBLY-PZTYSZJPSA-N 459.502 3.852 5 40 JHBB O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 103560670 VXNPWLSUMVHERL-XQUALCHDSA-N 480.480 3.749 5 40 JHBB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 205676137 LHQHLWVHPBTUOX-RQZCQDPDSA-N 473.419 3.895 5 40 JHBB CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222810191 PSFFPAYKFIQQGV-OAQYLSRUSA-N 455.536 3.917 5 40 JHBB Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)c(C)c1 224822458 GALOPJPFTOWRLY-UHFFFAOYSA-N 497.573 3.987 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 20009837 DHXGSZYGSKBDAM-LJQANCHMSA-N 489.937 3.785 5 40 JHBB NS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)C(=O)N2 32931545 RYBAWIMVPHEPOK-NVNXTCNLSA-N 490.291 3.757 5 40 JHBB CC1(C)C[C@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C(C)(C)C)C2=O 101419083 FSYNNGJVBQNMLP-UNZKAFMDSA-N 468.554 3.788 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)N1CCCC1 408552361 RZXHIURZSAGPQN-DEDYPNTBSA-N 467.503 3.833 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C 408556815 JZZZGDUGTORSQV-KRWDZBQOSA-N 461.540 3.650 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408687608 URTRSNRRMHNMOW-KDURUIRLSA-N 484.306 3.866 5 40 JHBB Cc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] 2660257 XQRLJHNEJXHSPL-LLVKDONJSA-N 487.818 3.876 5 40 JHBB O=C(OCCOc1cc(OCCOC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 4265548 HJAVBUNMVIMARX-UHFFFAOYSA-N 496.428 3.975 5 40 JHBB biogenic Nc1c(I)cc2c(c1I)Cc1cc([N+](=O)[O-])ccc1-2 4823259 XLHBKIBSFPKXBL-UHFFFAOYSA-N 478.027 3.957 5 40 JHBB O=C(NC[C@H]1CCCO1)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 8922122 RTVXTEXVIGKRLB-JHRFGPFWSA-N 461.474 3.921 5 40 JHBB Cc1cc(=O)oc2cc(OC/C=C3/Oc4ccc([N+](=O)[O-])cc4[C@H]3N3CCOCC3)ccc12 19867754 XSQRMLHBCDBDOT-UGSSTGIHSA-N 450.447 3.738 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccco3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 104041801 SIVAFGOCDXMPMM-LUKWVAJMSA-N 469.453 3.895 5 40 JHBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 223311016 BYPLDNDDGXEOTB-QGZVFWFLSA-N 477.583 3.987 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O 260892733 FFAYPMFTEVRQBY-CQSZACIVSA-N 492.579 3.654 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl 408672447 ZDKZRNYKBGFREE-NSHDSACASA-N 496.701 3.546 5 40 JHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1C 409351341 VUHWHNTXEMMNTP-BKUYFWCQSA-N 496.545 3.723 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12686981 JLZZYDVGGABIJT-ZDUSSCGKSA-N 496.442 3.804 5 40 JHBB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 12792591 NTJKAHJJYMJKOX-ZDUSSCGKSA-N 483.999 3.856 5 40 JHBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccc(F)cc3)c2=N)cc1 101094231 TVWXDBGCZKXCBA-UHFFFAOYSA-N 481.531 3.863 5 40 JHBB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223565477 PLORGGKHKRZKPK-OAQYLSRUSA-N 485.562 3.796 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260949476 XFWUPRKLNGSEAS-QGZVFWFLSA-N 489.594 3.906 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408679977 FSLMJYNZYOYZMF-SLUIBLPYSA-N 451.866 3.613 5 40 JHBB O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 3448004 DJXVORVIJVBDTL-UHFFFAOYSA-N 462.447 3.703 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)OC 9232564 FCTUOJLVFKPFPW-YBFXNURJSA-N 472.475 3.782 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](C(C)C)N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 12557241 VZIKTNSIXAZEHC-QHCPKHFHSA-N 476.599 3.781 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n([C@H](C)COC)c2C)c([N+](=O)[O-])c1 13120691 PYCQUIMNQITZQK-MRXNPFEDSA-N 481.571 3.513 5 40 JHBB COc1cc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc(OC)c1OC 20492280 NRHZUWWJRGOJJN-UHFFFAOYSA-N 450.407 3.924 5 40 JHBB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 57561461 MJIVCAPPPKNUJA-JOCHJYFZSA-N 451.504 3.658 5 40 JHBB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 107668989 YOCPPUYJMHODJD-FQEVSTJZSA-N 498.565 3.590 5 40 JHBB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408639288 FNKYNILKDNMYKP-AEFFLSMTSA-N 499.479 3.911 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NC2CCCCC2)cc1 9137272 VCTNZXFCEUBUID-UHFFFAOYSA-N 479.584 3.528 5 40 JHBB Cc1cc(I)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 10667468 FPHXSIBKVFOLMD-UHFFFAOYSA-N 474.638 3.957 5 40 JHBB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)C1 22325207 NSHQDCSJWODIIF-GASCZTMLSA-N 473.555 3.856 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35852042 ATMIMTQWQRBXKU-NMOFPLQQSA-N 472.526 3.809 5 40 JHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58156800 COAMBSFWKVRRGU-UXHICEINSA-N 469.611 3.531 5 40 JHBB CCCCn1/c(=N\C(=O)CCc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628214 NQEXMTIJOVCCBB-GNVQSUKOSA-N 472.545 3.686 5 40 JHBB Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1C 109029606 YLPNNVZFZAWVFJ-UHFFFAOYSA-N 452.555 3.930 5 40 JHBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1nnc(-c2ccccc2)o1 408602284 BITAEEAVWMKGOO-CSKARUKUSA-N 463.406 3.604 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nn2c(CC)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 8832765 YPHJMTGTGLRVPH-UHFFFAOYSA-N 486.579 3.698 5 40 JHBB COc1cc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)ccc1OC(F)F 9587846 GAPBWBSLDWWFSQ-UHFFFAOYSA-N 471.482 3.626 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 31937302 CUZFRQACDDCJQS-JVCXMKTPSA-N 478.508 3.771 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc(C)c1Br 408667753 KKMQAWQNOIONLV-CQSZACIVSA-N 490.310 3.509 5 40 JHBB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)[C@@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 408927319 VZVYMEFJWHEQRM-CQSZACIVSA-N 451.439 3.518 5 40 JHBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21 100877270 TYOQZDADSCWMDT-VLGSPTGOSA-N 470.326 3.739 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2C)n1C 108921622 QWNCTUFHZNPVMN-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1[N+](=O)[O-] 138611323 CVLGUJMERMERSO-LBPRGKRZSA-N 466.277 3.745 5 40 JHBB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224636372 IQMUGHWEZYBWHA-JOCHJYFZSA-N 483.565 3.891 5 40 JHBB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409344925 ICIMEUKWMGLXGP-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc12 2616692 UTXGVUKDOPQBJE-UHFFFAOYSA-N 486.513 3.981 5 40 JHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 12866407 WNSHVVWVPBXSGG-UHFFFAOYSA-N 451.449 3.776 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 13668584 HRTZLLQMVAPEJZ-UHFFFAOYSA-N 453.520 3.539 5 40 JHBB O=C(Nc1ccc(I)cc1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833301 RCCXALIMIANPCL-IJKBLAIYSA-N 493.305 3.725 5 40 JHBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1[N+](=O)[O-] 113833462 KOSHSMRAEOGYEE-XKZIYDEJSA-N 459.483 3.953 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408683219 KWCWCZWZLITLHU-QCQDVHPSSA-N 496.863 3.521 5 40 JHBB O=C(COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccc([N+](=O)[O-])cc1 3311899 URUGVYDIFKSDDE-UHFFFAOYSA-N 476.413 3.714 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 9948246 NMOSYQBFPZADNP-MRXNPFEDSA-N 453.495 3.671 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1 16050702 IKYUVLIICFFAHU-UHFFFAOYSA-N 469.519 3.985 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 20009835 DHXGSZYGSKBDAM-IBGZPJMESA-N 489.937 3.785 5 40 JHBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222742101 FYSDKGBCTUJHPH-QGZVFWFLSA-N 457.527 3.623 5 40 JHBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 3641534 KAILKZVQOMCMHL-QGZVFWFLSA-N 457.240 3.862 5 40 JHBB COc1cccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)c1 8715724 NHGQAAXWCSIZEV-INIZCTEOSA-N 481.486 3.506 5 40 JHBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c(C(C)(C)C)c1 9120232 LDLHOHYZQBNVCA-UHFFFAOYSA-N 450.513 3.714 5 40 JHBB COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)c([N+](=O)[O-])cc1OC 9369148 VYNMHSHBWZYMDG-UHFFFAOYSA-N 489.535 3.755 5 40 JHBB Cc1ccc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 9778996 CEQKTTGHSWPZTO-UHFFFAOYSA-N 463.877 3.964 5 40 JHBB CCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 12539748 HLUSLNLULBHURX-UHFFFAOYSA-N 459.355 3.844 5 40 JHBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCC(F)(F)F 16694843 IOOFGHPLMMCKJE-UHFFFAOYSA-N 486.255 3.775 5 40 JHBB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 40160262 SKUSFLXUQSIZCL-UHFFFAOYSA-N 483.502 3.834 5 40 JHBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408648829 KIEBWQRZXXUYKE-HBGVWJBISA-N 463.490 3.707 5 40 JHBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1 2720974 OBQJWPULOJVHED-UHFFFAOYSA-N 478.515 3.963 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1[N+](=O)[O-] 9127407 LCIIYAOYFLZGTI-UHFFFAOYSA-N 458.588 3.793 5 40 JHBB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)c1 35375647 CPAILXVORWOKGL-UHFFFAOYSA-N 499.545 3.750 5 40 JHBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c1 223166125 CSSKIIWUHIDBDS-GOTSBHOMSA-N 479.562 3.555 5 40 JHBB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2O1 225989997 OSIAERXYMXKVQU-XMMPIXPASA-N 471.513 3.780 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn([C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c3cc2c1=O 253563003 DXYGBDQZALLMAL-VTJXTGGHSA-N 475.549 3.906 5 40 JHBB CCOc1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)c([N+](=O)[O-])c1 6196206 SENDPSPTSCVOSO-UHFFFAOYSA-N 481.538 3.514 5 40 JHBB Cc1cc(=O)c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1-c1ccc(Cl)cc1 9313813 LBOZCRNDUVJMBW-UHFFFAOYSA-N 456.842 3.516 5 40 JHBB COc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 16050986 QGLIVMRZYWWSFL-GFCCVEGCSA-N 456.373 3.962 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1 101193708 QQHOFMDTDRGQOR-FSSWDIPSSA-N 474.429 3.550 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408668208 CVMFEWLNVGUQMW-KYNGSXCRSA-N 480.473 3.569 5 40 JHBB C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nc2ccccc2n1C(F)F 9800048 CYQVRTDHGWVFEE-HNNXBMFYSA-N 458.469 3.975 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)cc1 13503854 KGRZGDBOHHDFST-JOCHJYFZSA-N 451.506 3.747 5 40 JHBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271313 UWQMZLBTYYGISM-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 17197946 QPTLBAXNYGFGCH-OPYAIIAOSA-N 475.379 3.959 5 40 JHBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101101729 KQNPDGBTWKOFLQ-UHFFFAOYSA-N 487.922 3.899 5 40 JHBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223623519 BJXHBRYBSRPXFB-HXUWFJFHSA-N 487.553 3.713 5 40 JHBB Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408915296 ZEUMLPSUDAOYPQ-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409136331 SLIBFVMWAWVBCJ-UHFFFAOYSA-N 474.930 3.520 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 103461887 JIOXPDIBCVUSDH-SSGKUCQKSA-N 459.502 3.853 5 40 JHBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c(C)c1 409374011 JHNJDZUVVOJIAD-WSVATBPTSA-N 469.475 3.924 5 40 JHBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 2339596 LAQLHWDVYOBNTC-FBHQFGEZSA-N 491.569 3.614 5 40 JHBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9192302 DBCJOEIHFYJYTH-UHFFFAOYSA-N 459.462 3.565 5 40 JHBB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1 12764919 KDGYECWEIZTEHO-MRXNPFEDSA-N 454.552 3.963 5 40 JHBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 32508692 XRCIDIDUFSYNLX-MSOLQXFVSA-N 451.957 3.519 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 57317168 WOUGFNRORXJRBY-UHFFFAOYSA-N 490.516 3.583 5 40 JHBB O=[N+]([O-])c1ccc(NC[C@@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 100177724 HWJKKIADPFMTDV-SNVBAGLBSA-N 479.755 3.968 5 40 JHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 205766413 XNGZIRYBXDMCEY-VGOFMYFVSA-N 467.253 3.827 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408676240 ANSOZPNPFZJNTD-XAMWDVODSA-N 451.866 3.613 5 40 JHBB O=C(COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1)c1ccc([N+](=O)[O-])cc1 868213 WPOGRCXNJNMFCT-UHFFFAOYSA-N 471.425 3.728 5 40 JHBB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 8896704 KFXMLOBCYHCHEI-GFCCVEGCSA-N 487.607 3.607 5 40 JHBB CCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 223526315 VMIOCWMSEOFWHF-UHFFFAOYSA-N 483.546 3.548 5 40 JHBB Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C 223905573 KTBAHEKHQJMKJV-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB CCN(CC)C(=O)C1=CCC[N@@+](C)(CCCCCC[N@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1 245231664 HNDVYBMXXUXLPW-ROJLCIKYSA-N 476.750 3.837 5 40 JHBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 9569486 YPKPASXXASHVCA-UHFFFAOYSA-N 473.532 3.537 5 40 JHBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16291947 FFESSQORIKGXGO-UHFFFAOYSA-N 452.458 3.759 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)NNC2=N[C@H](c3ccccc3)c3cc(Cl)ccc3N2)cc1 16478508 GBILZUKMAUEVDF-LJQANCHMSA-N 457.899 3.602 5 40 JHBB CN(C)c1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 22182607 FKKIPNZLWSWAKN-UHFFFAOYSA-N 451.552 3.742 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccc1COc1ccccc1 30521429 BJECZAQQYBEGEJ-UHFFFAOYSA-N 483.546 3.807 5 40 JHBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 89633474 XPKNUBPDLUEKHG-DEOSSOPVSA-N 494.573 3.590 5 40 JHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225085441 WNVJDARVTCEEHB-ROUUACIJSA-N 457.527 3.623 5 40 JHBB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409267726 OSXSJPNRZFTEPE-UHFFFAOYSA-N 453.432 3.687 5 40 JHBB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409355695 DKMSUDAERLPEDQ-DJKKODMXSA-N 458.448 3.540 5 40 JHBB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9562866 HBJPTYLOCBJIST-CYBMUJFWSA-N 475.504 3.641 5 40 JHBB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1 9762346 YQMQPYZSKIISFB-UHFFFAOYSA-N 468.510 3.504 5 40 JHBB COc1c(C)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611750 FBGOBNIFJWBPQW-UHFFFAOYSA-N 450.289 3.763 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1O 409180879 WWNGRJHEYFUAIR-RQZCQDPDSA-N 457.464 3.601 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 3240270 ZZAAYOKBPRHLFA-UHFFFAOYSA-N 481.412 3.689 5 40 JHBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 4121817 AENJFNPXFYJXNP-UHFFFAOYSA-N 489.985 3.824 5 40 JHBB COc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c1 8783105 CYLDOVTWOHDWIA-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB COCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792120 PORYACDVZLWPLO-OAHLLOKOSA-N 489.528 3.529 5 40 JHBB biogenic O=C(COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1)c1cccc([N+](=O)[O-])c1 8861090 BYSXYKBQOGZBIV-UHFFFAOYSA-N 471.425 3.728 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 9185615 CWBFOZNZYALHJC-JLRUASKGSA-N 468.506 3.942 5 40 JHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 9668860 ARNMNXMLAHBXDO-XNTDXEJSSA-N 486.528 3.974 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1F 102746019 URKJXMDFHLRMQK-XAYXJRQQSA-N 462.481 3.595 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1 408587652 SVYNOWZFAGGZOC-UHFFFAOYSA-N 469.519 3.741 5 40 JHBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)C1 408998409 UKFIKTXXVHEADP-INIZCTEOSA-N 479.606 3.831 5 40 JHBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)cc1 409164404 IAOIYICHGCYOAB-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB NC(=O)c1ccc(Sc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)c([N+](=O)[O-])c1 3341962 UCGYYZSPLFRZAF-LJQANCHMSA-N 475.486 3.938 5 40 JHBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1cccc([N+](=O)[O-])c1 8868276 YJXGMAMNVDGZFL-OAHLLOKOSA-N 477.322 3.883 5 40 JHBB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 12554775 SRROLHWNQHFNIN-HSZRJFAPSA-N 478.936 3.828 5 40 JHBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc([N+](=O)[O-])cc1Cl 13129593 ORHOLOVBMVJVIO-UHFFFAOYSA-N 479.832 3.844 5 40 JHBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 20411809 WXKIUDUXHFKRRX-UHFFFAOYSA-N 470.507 3.859 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820849 UDBRSKOECJUXIT-OLFWJLLRSA-N 488.544 3.766 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)/C=C\c1ccccc1 102920010 NMOIEBKOQOAKOS-QOHDSDRFSA-N 470.529 3.856 5 40 JHBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222549257 PKQKCOBULQKYEB-UWJYYQICSA-N 487.553 3.713 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408688281 VVZTUZKCWLVTNR-SLUIBLPYSA-N 451.866 3.613 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 409143415 NDJVPIWHALKAJH-QSFXBCCZSA-N 488.614 3.637 5 40 JHBB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1 6408451 ZDEYGDASHZRKNX-UHFFFAOYSA-N 453.476 3.729 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c1 9124952 CTGOMGVATPJXJW-UHFFFAOYSA-N 456.904 3.629 5 40 JHBB CN1CCc2nc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)sc2C1 18103978 FHCZYCHWEQVLLU-UHFFFAOYSA-N 469.489 3.913 5 40 JHBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20611119 OIEGMIFDNDHGJB-UHFFFAOYSA-N 476.468 3.865 5 40 JHBB CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 35145502 DSINESHXAVXWEK-UHFFFAOYSA-N 465.535 3.733 5 40 JHBB C[C@@H](C(=O)NC1CC1)N1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 62281970 OJDJRKSSAJJXJR-SFHVURJKSA-N 487.560 3.789 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408688904 XCQOJYQXSPKCMS-QZTJIDSGSA-N 486.868 3.889 5 40 JHBB COC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 2050349 BMYFLUKWOYNMQI-QGZVFWFLSA-N 472.376 3.617 5 40 JHBB Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 17149163 YAVLGAFDSAPIIV-UHFFFAOYSA-N 466.498 3.975 5 40 JHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 32876421 MCDKTPOTWMJYEE-HNNXBMFYSA-N 486.554 3.803 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 89395987 ZJRORTKUEFNIIZ-UHFFFAOYSA-N 463.446 3.672 5 40 JHBB CC(C)(C)c1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223728229 QHCQGLVCEDETSE-UHFFFAOYSA-N 477.583 3.634 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408570882 MDWMTCFKKCWBII-LXISHSFJSA-N 477.492 3.982 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408690017 ZJEIMNNYOZKVPT-MJWYBRSISA-N 498.879 3.911 5 40 JHBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 409132480 OTKGLNWBTQEBTN-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 409368518 AAQCRHGCDPTRGS-ZKKFKWFVSA-N 455.426 3.688 5 40 JHBB COc1ccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3499906 KGTBVCVYBZLHPC-UHFFFAOYSA-N 482.876 3.961 5 40 JHBB COc1cc(NC(=O)CSc2nc(COc3cc(C)ccc3C)n[nH]2)c(C)cc1[N+](=O)[O-] 16044563 XCCSQYTWQDEIMW-UHFFFAOYSA-N 457.512 3.957 5 40 JHBB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22740942 PVHYHSOURJSJHC-QGZVFWFLSA-N 483.594 3.937 5 40 JHBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181953 WBCNNCQGMFGFOQ-WZONZLPQSA-N 486.619 3.887 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 102772927 VRLKJAQZVVFGMN-WTEVXDJOSA-N 490.516 3.948 5 40 JHBB C[C@H](CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 223528184 RGPIHBOOZYKGJU-GOSISDBHSA-N 453.520 3.710 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 408665909 ZQJMACGHMCELAS-LRGYGIHKSA-N 481.892 3.519 5 40 JHBB COc1c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)cc1[N+](=O)[O-] 408720839 FJOMJFHVEPQXEV-APSNUPSMSA-N 460.309 3.753 5 40 JHBB COc1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409154860 KSRZTDMUYSBXEP-LJQANCHMSA-N 484.538 3.579 5 40 JHBB O=C(O)c1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)ccc1Cl 9489297 CKQQDWOFFFHIDO-HRZAVBMWSA-N 474.856 3.823 5 40 JHBB O=C([C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCCC1 9684150 ZXPABMQDAHDVET-QFIPXVFZSA-N 473.551 3.512 5 40 JHBB O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 11758557 SQHDCDUKTOEOOQ-UHFFFAOYSA-N 455.887 3.562 5 40 JHBB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OCC 12536428 RGVKISQZAXLQHQ-UHFFFAOYSA-N 470.526 3.703 5 40 JHBB O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 13786283 CBFSPFZKZDRLMV-WUMKDDEVSA-N 453.495 3.630 5 40 JHBB CCOc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 16692088 ZNIXBZILLWBXRC-UHFFFAOYSA-N 488.504 3.816 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 89651340 WPLSICRTVPJQAM-UHFFFAOYSA-N 461.521 3.529 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(OCc2ccccc2)cc1 89836789 ZAYZRQPDPJRKTN-UHFFFAOYSA-N 469.519 3.938 5 40 JHBB COCc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 223529198 YNRHNYSEXJQLHM-UHFFFAOYSA-N 455.492 3.575 5 40 JHBB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224890671 VBVGVQLEIXYWMO-HNNXBMFYSA-N 491.444 3.685 5 40 JHBB CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409231785 MEYZVKFKYSECMV-CXUHLZMHSA-N 476.283 3.858 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 11667519 MYAQAZNMBMNUHA-UHFFFAOYSA-N 459.509 3.746 5 40 JHBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 16320897 BFJDMDKXIXIROM-UHFFFAOYSA-N 483.531 3.815 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2C)n1C 108127703 VHKONHMBFVUJIK-OAHLLOKOSA-N 468.539 3.562 5 40 JHBB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 247353928 XEGAXJKTILVQBK-HZMRVYKZSA-N 455.829 3.562 5 40 JHBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1 8826160 CORDXFATDDVSOU-RYUDHWBXSA-N 494.016 3.777 5 40 JHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1CCC(C(=O)O)(c2ccccc2)CC1 8952648 DGKGWIHJHWUCQG-UHFFFAOYSA-N 457.482 3.970 5 40 JHBB biogenic O=[N+]([O-])c1ccc(NCCc2ccc(Cl)cc2Cl)c(S(=O)(=O)N2CCOCC2)c1 9157536 JOFFAJHLYAVVDW-UHFFFAOYSA-N 460.339 3.577 5 40 JHBB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 15566048 XRJYXXZOFBWIBD-UHFFFAOYSA-N 488.957 3.527 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1C 20041024 BGWUMBNJZIUYSA-UHFFFAOYSA-N 475.548 3.954 5 40 JHBB CCOc1ccc([C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)C)cc1OCC 36791035 IEFAOUQQXKXXLS-JOCHJYFZSA-N 469.494 3.502 5 40 JHBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 108259668 YIDVLPSMVKASLY-SXGWCWSVSA-N 498.835 3.908 5 40 JHBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223733530 IUTOUUWHTUHSKJ-YADHBBJMSA-N 465.535 3.706 5 40 JHBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224598066 OZRJZUXYGWIHEF-QFIPXVFZSA-N 499.564 3.857 5 40 JHBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1[N+](=O)[O-] 8927787 IOZZUISXKKRHNX-XMMPIXPASA-N 450.422 3.750 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1Cl 9252364 IJRYLHAZNIQLDN-AWEZNQCLSA-N 467.931 3.686 5 40 JHBB Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c1C 9493608 DEKPFEYZSYZOMG-LSDHHAIUSA-N 459.886 3.788 5 40 JHBB CCCCCCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2c1=O 15911733 UYVNWSZTLNVLJG-UHFFFAOYSA-N 482.493 3.689 5 40 JHBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cc(C(F)(F)F)ccc1-n1cccc1 58343130 BONLDFJVERJZSO-UHFFFAOYSA-N 460.368 3.768 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 408575238 TXMMQSFLEAHVKF-UHFFFAOYSA-N 463.943 3.866 5 40 JHBB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 408613166 VSEPOCZSPKTTOR-UHFFFAOYSA-N 487.921 3.884 5 40 JHBB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409334579 HKOXGRDYBKFXME-HRAATJIYSA-N 472.494 3.819 5 40 JHBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 4121822 WOJZSSUUIHRGJT-UHFFFAOYSA-N 489.985 3.824 5 40 JHBB CCOC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 10440944 ZOWQBSYDMSBMIT-UHFFFAOYSA-N 483.502 3.606 5 40 JHBB COCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 11758024 RDHVJUQESQFWDG-UHFFFAOYSA-N 452.496 3.712 5 40 JHBB COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)cc1 13145296 ITPWNGVHYMGTCF-UHFFFAOYSA-N 457.464 3.665 5 40 JHBB CCOC(=O)C1=C(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)Nc2ccccc2N=C1C 17823767 MQZYTAFTFYXJKQ-UHFFFAOYSA-N 473.829 3.879 5 40 JHBB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1c1ccc2ccccc2c1)[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@H]31 36576211 PAIAUZTXCXMHPH-JNRMQSIKSA-N 453.454 3.923 5 40 JHBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409360462 QEQMKWAFLVLQPJ-IDUWFGFVSA-N 455.448 3.615 5 40 JHBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)n1 2709386 YYJQLOTUURSATC-UHFFFAOYSA-N 469.504 3.961 5 40 JHBB O=C(CSc1nc(CNc2ccc(Br)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1 13370933 UKEUMSPJMKXXES-UHFFFAOYSA-N 463.317 3.818 5 40 JHBB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 20007324 OLPWJZCSMGJAQJ-NRFANRHFSA-N 483.546 3.749 5 40 JHBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 32782637 UKOFVIFVFITTEQ-UHFFFAOYSA-N 483.366 3.608 5 40 JHBB COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 34882443 OSMNBVVBPMRMNQ-UHFFFAOYSA-N 476.533 3.556 5 40 JHBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399329 NSAPVZCXVCEWBX-CQSZACIVSA-N 498.883 3.538 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223157608 BMQZPGMLOIKYMN-XZOQPEGZSA-N 479.562 3.555 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c(C)c1 408651994 CUIJJKGXJRRPMF-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 409125941 GFLJYCRUCPSGKS-UHFFFAOYSA-N 455.492 3.822 5 40 JHBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1CCO 8385919 OFHKCSZHIQUHIN-UHFFFAOYSA-N 456.252 3.842 5 40 JHBB Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc2c1oc(=O)c1ccccc12 9186378 MYQRDVCRUFJIJT-QHCPKHFHSA-N 472.541 3.886 5 40 JHBB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 9356429 SJAGGOZWNQXICT-UHFFFAOYSA-N 499.545 3.694 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1Cl 9668649 SXJJCRDGLVAYES-AWEZNQCLSA-N 467.931 3.605 5 40 JHBB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 16051191 VJDGPLVPSKFMQS-UHFFFAOYSA-N 459.858 3.566 5 40 JHBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] 19868245 JVVFKPMZWSDTKQ-UHFFFAOYSA-N 451.932 3.737 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCN21 35166378 MMQCHVJDLRHDRN-CHQSNSNVSA-N 484.512 3.907 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O 44949859 CXHSNJLNPZGXAD-DEOSSOPVSA-N 483.546 3.584 5 40 JHBB O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccc([N+](=O)[O-])cc5)CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]64 103838460 DQSHVYJZUYBCIX-PXHATKTMSA-N 470.549 3.716 5 40 JHBB 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O=[N+]([O-])c1ccc2c(c1)nc1n2-c2nc3cc([N+](=O)[O-])ccc3n2-c2nc3cc([N+](=O)[O-])ccc3n2-1 100934466 UCVUUCKQNMHHLQ-UHFFFAOYSA-N 483.360 3.741 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(OC)cc1 101102542 LJTFWABASOTMEL-OLFWJLLRSA-N 488.544 3.540 5 40 JHBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223037438 SIFJKIPIPBEFPM-SFHVURJKSA-N 457.527 3.624 5 40 JHBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2285011 OYYFOSYMUXMGMG-UHFFFAOYSA-N 450.296 3.693 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 409160094 XKEZQOHMIIBSNM-GOSISDBHSA-N 472.502 3.710 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 3242811 DRYXEDYURYXFHJ-AWEZNQCLSA-N 467.434 3.941 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 10840371 YFRBASZCDVBKFB-UHFFFAOYSA-N 454.508 3.779 5 40 JHBB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(C)c1 15525265 DESLCBVLOKZOMM-UHFFFAOYSA-N 483.546 3.927 5 40 JHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)cc1[N+](=O)[O-] 16693003 IGGIFLZDVNNHCF-UHFFFAOYSA-N 454.302 3.891 5 40 JHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20484415 DCASMMKBLPTNAP-KRWDZBQOSA-N 465.959 3.861 5 40 JHBB O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1sc2ccccc2c1Cl 25436073 MNJZBSLSYBKYTI-UHFFFAOYSA-N 458.927 3.542 5 40 JHBB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58162965 XHRHEOTZYVPAHW-MRXNPFEDSA-N 462.441 3.989 5 40 JHBB CCOc1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 102692637 XNXJKHGEFJCZGR-SOLBZPMBSA-N 483.527 3.539 5 40 JHBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222584784 XATKXLFIHRTJMV-HSZRJFAPSA-N 495.507 3.507 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408687864 VGZYKWOFCCLEAJ-DUXSXAKTSA-N 498.879 3.911 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 9634891 XIXCZUQBTUOCIS-UHFFFAOYSA-N 470.507 3.723 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 13504686 IARMZZTYXNKRGU-XMMPIXPASA-N 473.512 3.680 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN21 13607371 IAXLBQNFSIAZQD-PSELDJGJSA-N 484.512 3.907 5 40 JHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13680272 FBRPXKIJEAKMLE-NRFANRHFSA-N 487.921 3.984 5 40 JHBB COCCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 32994820 KHOYTVSHNYAHFK-IBGZPJMESA-N 480.546 3.746 5 40 JHBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C)c1I 57315647 LBHTVMAYUFQAEE-UHFFFAOYSA-N 481.290 3.905 5 40 JHBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409368396 UEHDZVSOJJVAEL-YQORSWRPSA-N 459.389 3.519 5 40 JHBB Cc1ccc(N[C@@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)cc1 6245459 XDJPMJSYXXVDJZ-AWEZNQCLSA-N 450.710 3.943 5 40 JHBB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8824173 SNLHOFXGYCGHRZ-GFCCVEGCSA-N 497.847 3.821 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9109105 WCJWZSMIIAVBEH-KIHHCIJBSA-N 498.470 3.762 5 40 JHBB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 9364494 VKZNOAVAGHKALR-UHFFFAOYSA-N 487.519 3.606 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 16042028 CZOFAXAGACQLKX-LXEATBNUSA-N 494.507 3.609 5 40 JHBB biogenic COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 57327800 SWRNFAJVFUHMAZ-UHFFFAOYSA-N 463.475 3.611 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102748662 CEFWHDCPWNQIKV-DNVJHFABSA-N 475.457 3.663 5 40 JHBB CCOc1cc2c(cc1NC(=O)CN1CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC1)O[C@H](C)C2 12591991 VBILUWYMMSPNPW-OAHLLOKOSA-N 474.945 3.731 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 18244927 IBJVAAIOHURQKE-OALUTQOASA-N 469.881 3.664 5 40 JHBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20153255 AYXVVHTZVHZGRE-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 22278316 SKNWRYYATRPWNH-UHFFFAOYSA-N 483.502 3.606 5 40 JHBB Cc1sc2nc3c4ccccc4c(NC[C@@H]4CN(CC(C)C)CCO4)nn3c(=O)c2c1C 23881649 DREUVVIXTRXGQP-QGZVFWFLSA-N 451.596 3.843 5 40 JHBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nn(-c2ccccc2F)cc1Br 32933248 KAVVPEKVDXXVNH-UHFFFAOYSA-N 478.230 3.906 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 225794580 VKOOZMSJXIDDCP-OXQOHEQNSA-N 475.567 3.948 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408683222 KWCWCZWZLITLHU-USEHDAJUSA-N 496.863 3.521 5 40 JHBB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 990357 HEZCIVLBEDLOSK-UHFFFAOYSA-N 474.425 3.834 5 40 JHBB C[C@@H](OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2ccccc21 8882476 IDEKSSJACGOWIN-KDOFPFPSSA-N 481.534 3.614 5 40 JHBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 22751932 QCVINODDTOOUFU-UHFFFAOYSA-N 493.549 3.721 5 40 JHBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCc3cn4ccccc4n3)c([N+](=O)[O-])c2)C1 23618056 GLGNFULNBVNSSG-IRXDYDNUSA-N 457.556 3.564 5 40 JHBB CCCn1/c(=N\C(=O)c2ccccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176411 LPVXTSGAWPCNPL-MEFGMAGPSA-N 464.909 3.630 5 40 JHBB CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225171858 SZNAFIZRHVSUDY-APWZRJJASA-N 463.556 3.642 5 40 JHBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl 409356001 DNSTUBBQJXOBHW-ZWSORDCHSA-N 491.865 3.661 5 40 JHBB Cc1nn(Cc2ccc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)o2)c(C)c1[N+](=O)[O-] 8455201 CFIIMXZIRCGVDN-UHFFFAOYSA-N 467.570 3.776 5 40 JHBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8831491 PBSHDOHRZJCNJW-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 9154795 JHTHVFQJGVGBRZ-UHFFFAOYSA-N 489.532 3.575 5 40 JHBB O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9354431 QPTLBAXNYGFGCH-BBTUJRGHSA-N 475.379 3.959 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C1 10898762 QWQGPKCSDHVLIL-HNNXBMFYSA-N 465.959 3.941 5 40 JHBB COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc([N+](=O)[O-])cc1 12660258 FFVADLXNYWTSDR-KRWDZBQOSA-N 461.272 3.633 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1C 409151761 HZKNMQRNCSTCSW-BKUYFWCQSA-N 496.545 3.723 5 40 JHBB CCOc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 6196126 XDSKOGQLYUPVNR-UHFFFAOYSA-N 493.476 3.867 5 40 JHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 12843040 HPSCOQQNGNAFQY-UHFFFAOYSA-N 466.519 3.636 5 40 JHBB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 408666326 YNZSDDMBPIUURB-UHFFFAOYSA-N 484.690 3.911 5 40 JHBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C(=O)N1c1cccc(Cl)c1 409094043 BRRSLMKWOSYMAM-WLRTZDKTSA-N 485.621 3.656 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 409126387 OPRGGCIMVSAYPZ-LJQANCHMSA-N 486.529 3.720 5 40 JHBB O=[N+]([O-])c1ccc(N2N=C3c4ccccc4C(Cl)=NN3[C@@H]3CCCC[C@@]32N2CCOCC2)cc1 20028288 CTTQAZGSWYRPNV-QPPBQGQZSA-N 480.956 3.964 5 40 JHBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(Cl)cc1Cl 20153292 WDQOHDYQYACUFR-UHFFFAOYSA-N 499.332 3.563 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707357 JEYXGIDMIQPRSL-UHFFFAOYSA-N 471.322 3.571 5 40 JHBB O=C(NCc1cccnc1)C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1cccnc1 27023813 SSRWJUZWZMSEQP-UHFFFAOYSA-N 483.484 3.661 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21 89457662 JZPBBBNLGWOLDH-XDHOZWIPSA-N 473.441 3.968 5 40 JHBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 101152411 MUSAYCXCSAPGMQ-UHFFFAOYSA-N 469.932 3.760 5 40 JHBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223113120 DWOCXDWAVWIBAQ-FQEVSTJZSA-N 459.568 3.816 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 409220230 ZRHJPLIDDCJNGX-LZYBPNLTSA-N 493.291 3.991 5 40 JHBB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 409234770 YBHNQLUZCACXCX-UHFFFAOYSA-N 453.520 3.687 5 40 JHBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc2c(c1)OCCO2 8824083 FAOFAHIHIBAWJK-LLVKDONJSA-N 454.357 3.611 5 40 JHBB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9328643 ZKGVBAGUWKRXME-TUSQITKMSA-N 469.538 3.919 5 40 JHBB Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCOCC2)o1 12558064 KPHDGGVUNGEHRP-JOCHJYFZSA-N 456.543 3.536 5 40 JHBB O=C1NCN(c2ccccc2)C12CCN(Cc1nc3cc([N+](=O)[O-])ccc3n1-c1ccccc1)CC2 13281484 QITNTEYUTYICPL-UHFFFAOYSA-N 482.544 3.862 5 40 JHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1 32124833 ZYRBJVGTJLEXCN-WQRHYEAKSA-N 473.532 3.663 5 40 JHBB O=C(c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 33508212 LYAXWKJAQIXNQI-UHFFFAOYSA-N 499.571 3.520 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C(C)(C)C 103629565 LXBAUCYEEBVWOV-FAJYDZGRSA-N 472.545 3.542 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224855055 LULGOTXNXRLQHU-UHFFFAOYSA-N 491.610 3.942 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225551908 BUIXLGLLOHHBEZ-OAHLLOKOSA-N 463.918 3.578 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)c(C)c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408653012 PLWADEOLHKWJTM-FCHUYYIVSA-N 475.501 3.793 5 40 JHBB COCCn1c(-c2ccc(Br)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2199068 QJJMSVBCOTVMIB-UHFFFAOYSA-N 457.280 3.587 5 40 JHBB C[C@@H](NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 16576093 OUQNNVUCKBEEBH-LJQCHSNASA-N 472.611 3.641 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 36369497 CZOFAXAGACQLKX-YRLQWRJRSA-N 494.507 3.609 5 40 JHBB biogenic CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 104305882 GDPWFABWZPFVGM-SSZFMOIBSA-N 474.473 3.632 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCCC1 205873828 HWJCIZUHIAEJHZ-DEDYPNTBSA-N 467.503 3.833 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 408614259 AHRYWMVZHSDKIN-UHFFFAOYSA-N 469.563 3.875 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1C 408658979 VJDAHRNYLUFTMK-SGEJCHJDSA-N 499.523 3.505 5 40 JHBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 6088813 LEUYBUSOQDDGMD-UHFFFAOYSA-N 453.436 3.927 5 40 JHBB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2=O)cc1C 8894247 DAQNBICUOJSTJE-RUZDIDTESA-N 476.464 3.785 5 40 JHBB COc1cc(C(=S)N2CCOCC2)cc(Br)c1OC(=O)c1cccc([N+](=O)[O-])c1 9553951 QVCQDDFGDILKNO-UHFFFAOYSA-N 481.324 3.593 5 40 JHBB CC(=O)c1sc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)nc1-c1ccccc1 14657723 KQCCVDBLQHIXHW-UHFFFAOYSA-N 465.535 3.925 5 40 JHBB CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 20178645 NUEWXARCIFEXHA-UHFFFAOYSA-N 479.537 3.662 5 40 JHBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611867 QHDPFHXSHUQGQD-UHFFFAOYSA-N 464.316 3.990 5 40 JHBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc21 408529674 IYZFZOKPNATQFL-IDUWFGFVSA-N 476.873 3.814 5 40 JHBB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 408592682 NZXCXVJWOZDVRY-UHFFFAOYSA-N 471.491 3.730 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 409133601 MOWYGVGKLCFBSC-UHFFFAOYSA-N 455.492 3.822 5 40 JHBB Cc1ccc(N[C@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)cc1 6245453 XDJPMJSYXXVDJZ-CQSZACIVSA-N 450.710 3.943 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 9948247 NMOSYQBFPZADNP-INIZCTEOSA-N 453.495 3.671 5 40 JHBB COc1c(C)cccc1C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9971923 LFJLMIPKLTUQRJ-UHFFFAOYSA-N 468.388 3.801 5 40 JHBB Cn1nccc1[C@@H]1CCC[N+](Cc2cnn(-c3ccccc3)n2)(Cc2cnn(-c3ccccc3)n2)C1 65502794 NLHXMSJODGYXAI-JOCHJYFZSA-N 480.600 3.676 5 40 JHBB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223265834 CDAVUMXXPKFBAB-AWEZNQCLSA-N 487.629 3.686 5 40 JHBB CC(C)n1c(=O)sc2cc(NC(=O)CCCN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225173673 DVFPMCCRKZYRSF-UHFFFAOYSA-N 492.579 3.737 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408687707 UTOKHZJPWOUQLR-WZBLMQSHSA-N 451.866 3.613 5 40 JHBB CCn1c(SCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccs1 3408496 VMUSFQIPUQIQCK-UHFFFAOYSA-N 472.508 3.820 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c([N+](=O)[O-])c1 6136532 GQTSEWSTMUABFH-UHFFFAOYSA-N 462.491 3.977 5 40 JHBB C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9466833 LFNXZHBRVSBXNG-AWEZNQCLSA-N 477.571 3.802 5 40 JHBB Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 9647494 CQSAVCZAKQZYJJ-SIKLNZKXSA-N 485.610 3.955 5 40 JHBB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10041735 PCUYFOWQTYYLRG-UHFFFAOYSA-N 497.891 3.630 5 40 JHBB O=C(/C=C/c1ccccc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16450834 AWLLHZBCYMBOLY-RMKNXTFCSA-N 464.469 3.850 5 40 JHBB O=C(Nc1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 48300281 SLHZGUHYNPSIPF-UHFFFAOYSA-N 473.338 3.830 5 40 JHBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 409181551 DAQVDDCUUDRRLP-UHFFFAOYSA-N 453.472 3.917 5 40 JHBB COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc(OC)c1OC 8857529 LWTDTDMKVSRUEF-UHFFFAOYSA-N 484.553 3.573 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21 9111054 CGCRXLSKRHHLNI-YSFYHYPLSA-N 459.502 3.908 5 40 JHBB CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C(C)(C)C)C2=O 9186223 FSYNNGJVBQNMLP-ASKHLURXSA-N 468.554 3.788 5 40 JHBB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 13786279 CBFSPFZKZDRLMV-CTUHWIOQSA-N 453.495 3.630 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N 23936579 MZWGRQRPZODNGH-UHFFFAOYSA-N 486.554 3.516 5 40 JHBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCC1 106770139 YFDJKPMAALYMOK-MOSHPQCFSA-N 467.503 3.833 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 409126579 LJOUHMDLQLHDQZ-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB Cc1cc(C)c2c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C(=O)N3CCOCC3)sc2n1 12563490 MRIHBNHDAMSBJP-UHFFFAOYSA-N 454.508 3.854 5 40 JHBB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 12634738 MWOCVCGGMQASTO-NWDGAFQWSA-N 485.415 3.960 5 40 JHBB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])cc1C 15978400 JQAUUJSZVRRMPB-UHFFFAOYSA-N 473.441 3.808 5 40 JHBB O=C(NCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 20435690 OLDLUULYXSMXSD-UHFFFAOYSA-N 455.254 3.750 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccc(Cn2ccnc2)c1 30587535 UUKFAPKUPVZNCC-UHFFFAOYSA-N 455.540 3.626 5 40 JHBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(F)cc1 108097180 PHPLQAXWZDFEHF-UHFFFAOYSA-N 471.558 3.561 5 40 JHBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1C 224210400 LDWZAFQQGOEWHE-UHFFFAOYSA-N 461.540 3.658 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(C)cc3)C(=O)[C@@H]2C1 408640924 BQAQLMNPYXOLLV-VOQZNFBZSA-N 475.501 3.873 5 40 JHBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408655084 CRJXOSJIZLZVCM-VHKYSDTDSA-N 479.489 3.624 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl 408660272 NHVZLUXYQPEGKU-NSHDSACASA-N 485.802 3.802 5 40 JHBB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 408664638 RXRWDKDVLOLBQC-UHFFFAOYSA-N 478.299 3.956 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408679466 FFWWHNKGHFROAI-AFHBHXEDSA-N 496.863 3.521 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O 409184680 ZFXUTNXHXTYIHG-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409244884 KAIFKBQAHBPKNL-QGZVFWFLSA-N 469.519 3.960 5 40 JHBB CCc1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2OC)cc1 409319198 BXGFIQZHAWTYNX-UXBLZVDNSA-N 466.450 3.555 5 40 JHBB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409349938 SBRPRURNTQLNQW-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1ccccc1 1884256 ZDVAZLFWZPVTQD-OZXSUGGESA-N 466.497 3.961 5 40 JHBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1ccc(Br)s1 8721059 AIKXOUPEKPWVJZ-UHFFFAOYSA-N 460.375 3.858 5 40 JHBB COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc(C)c1OC 9614301 AMXAWWGILYBAHK-UHFFFAOYSA-N 479.537 3.685 5 40 JHBB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4OC)n3c2c1 12470071 VZIPJUNHWZUHAR-UHFFFAOYSA-N 453.480 3.847 5 40 JHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 12746936 MDUFSMDFAXHAJG-UHFFFAOYSA-N 451.479 3.675 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408683217 KWCWCZWZLITLHU-ISZNXKAUSA-N 496.863 3.521 5 40 JHBB Cn1c(C[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 9675697 IEQCLCJOWZWGDV-IBGZPJMESA-N 478.530 3.599 5 40 JHBB CCn1c(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12604079 FAVGTRBQNDFVAP-AQTBWJFISA-N 476.942 3.722 5 40 JHBB Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1F 32901417 HGVFVEYYXVGKRC-CQSZACIVSA-N 456.430 3.847 5 40 JHBB COc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4O)cn3)c([N+](=O)[O-])c2)cc1 33526185 VWXJKETVGAKHJX-UHFFFAOYSA-N 494.485 3.527 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1 103461893 JIOXPDIBCVUSDH-WZYRSQIMSA-N 459.502 3.853 5 40 JHBB CCC1(CC)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c2ccccc2O1 222737185 IXTDHIGOQKTEDJ-SFHVURJKSA-N 475.567 3.868 5 40 JHBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)C1 408998418 UKFIKTXXVHEADP-MRXNPFEDSA-N 479.606 3.831 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 409143420 NDJVPIWHALKAJH-ZTNFWEORSA-N 488.614 3.637 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 9509888 OGSLSDNNCIHYSF-UHFFFAOYSA-N 483.502 3.808 5 40 JHBB COc1cccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 11142186 YJPZVIMEJKKNEJ-JOCHJYFZSA-N 487.578 3.676 5 40 JHBB O=C(OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 32837651 HESGKQZYBMHRKE-UHFFFAOYSA-N 463.377 3.519 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCN21 35166380 MMQCHVJDLRHDRN-JPYYHWIRSA-N 484.512 3.907 5 40 JHBB CCCCCCn1nc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2c1=O 3294318 ZRURXIRLYPUUEL-UHFFFAOYSA-N 470.457 3.820 5 40 JHBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 3991870 XDRIXTWGFNEBGN-UHFFFAOYSA-N 477.520 3.513 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8686665 PBPRTRGITUJLKP-UHFFFAOYSA-N 471.539 3.548 5 40 JHBB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269593 DNAFGKIQZQABOL-UHFFFAOYSA-N 462.531 3.810 5 40 JHBB O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1cccs1 22533321 XLXCNPQPQREMHO-UHFFFAOYSA-N 452.492 3.998 5 40 JHBB Cc1cccc(NC(=O)N2CCC(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 40150427 KZYUDZPCQYPSMI-UHFFFAOYSA-N 474.901 3.982 5 40 JHBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 59723743 MIRZYNICJKUWES-UHFFFAOYSA-N 460.918 3.819 5 40 JHBB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O 408668969 RNGLQZQNIHLLMQ-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(C)cc4)c4ccccc4c3=O)c2)CC1 9008576 QYGNFLIWGTYARN-UHFFFAOYSA-N 483.528 3.938 5 40 JHBB Cc1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nn2c(C)nnc2s1 14269268 GXVIVPOGHFMSOS-UHFFFAOYSA-N 467.536 3.813 5 40 JHBB COc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)c([N+](=O)[O-])c1 23436918 KLLKXTDBVDLAOM-UHFFFAOYSA-N 458.448 3.632 5 40 JHBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCc3cn4ccccc4n3)c([N+](=O)[O-])c2)C1 23618053 GLGNFULNBVNSSG-CALCHBBNSA-N 457.556 3.564 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CC[C@H](N2CCCC2)C1 71874894 IOYWENPZCOFSFK-HNNXBMFYSA-N 450.948 3.724 5 40 JHBB CCCn1/c(=N\C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101095661 XBPQIJVQHHYBGG-IADYIPOJSA-N 480.471 3.564 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 102761699 UXGJVFWQBGZVEQ-KJWPAHLWSA-N 468.506 3.942 5 40 JHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223074100 BOYMRMZLOJQMCA-HZPDHXFCSA-N 477.945 3.968 5 40 JHBB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 224820565 FXKXYMSXHIYJEW-UHFFFAOYSA-N 468.535 3.766 5 40 JHBB CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224932419 QTXLPRDPPZNKKJ-HXUWFJFHSA-N 460.556 3.687 5 40 JHBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408569694 XABLNNCRZMLGFU-UPSSIMKTSA-N 488.338 3.521 5 40 JHBB Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 409369835 ZRDIMVPQUDVWQH-VUUXHMSQSA-N 469.453 3.997 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1 9111414 DQTVRLLVHDPTFZ-OFVILXPXSA-N 456.458 3.598 5 40 JHBB O=C(CSc1nnc(NC2CCCCC2)s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9119695 ABIMZAQVJDVGJC-UHFFFAOYSA-N 466.541 3.893 5 40 JHBB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 9506813 YSQZXROEXNVCPB-INIZCTEOSA-N 474.926 3.868 5 40 JHBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2O1 41158135 PHQVUQGUMDFZBK-HNNXBMFYSA-N 453.476 3.823 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)COc1ccc(Cl)cc1 103628039 AVKFGJPBCGNYRU-NFFVHWSESA-N 494.935 3.567 5 40 JHBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccc(F)cc3)C2=O)o1 108928890 ZVAAILJUJXIOJK-WQRHYEAKSA-N 495.419 3.785 5 40 JHBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c1 223208705 MBUFFCNIFHUOSN-DNQXCXABSA-N 493.589 3.945 5 40 JHBB COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223292882 BUBUDLAJVKUJPK-INIZCTEOSA-N 463.556 3.679 5 40 JHBB C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C(=O)Nc1ccccc1[N+](=O)[O-] 9219694 GEIKUHWHRFBVJP-LLVKDONJSA-N 459.256 3.931 5 40 JHBB CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)Nc1ccccc1C(F)(F)F 13135041 SXURAVDIBSNCTI-UHFFFAOYSA-N 454.405 3.521 5 40 JHBB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 18098494 OHQNDLZFMYZILX-VJBWXMMDSA-N 475.457 3.663 5 40 JHBB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22565362 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O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22536057 GQIAYRJYAMKHNR-UHFFFAOYSA-N 454.430 3.577 5 40 JHBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223983001 IWDIIGQXKQHKAP-NRFANRHFSA-N 487.553 3.715 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408677518 CADXUQJQOVBZGK-WZBLMQSHSA-N 453.882 3.837 5 40 JHBB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409334108 RSXFGBXWPVEGRQ-OAQYLSRUSA-N 486.550 3.515 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223074163 BOYMRMZLOJQMCA-JKSUJKDBSA-N 477.945 3.968 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223200370 ICNRTTXZFWCCAV-DNQXCXABSA-N 493.589 3.945 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 408559843 ZJHQPIUGXGTZJP-UHFFFAOYSA-N 467.931 3.686 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408660022 WHDJSLYSFLPUFT-AVICWDJOSA-N 499.523 3.667 5 40 JHBB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409368117 RVNWXPXRPDNGOI-AYIBLLACSA-N 468.465 3.683 5 40 JHBB O=C(OCn1nnc2ccccc2c1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3420536 DZPQZXSPNTVCGI-UHFFFAOYSA-N 452.810 3.960 5 40 JHBB CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2[N+](=O)[O-])C(C(=O)Nc2ccccn2)=C(C)N1 20568707 HPRKPHKFXCAQRU-UHFFFAOYSA-N 470.489 3.897 5 40 JHBB O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccc(F)cc2N1 22193983 NURQEZBCXRLKIG-OAHLLOKOSA-N 466.391 3.527 5 40 JHBB CCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 24522269 YIWULVJQAHYMMJ-UHFFFAOYSA-N 454.460 3.857 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1Cl 101176493 KBSCVEBVPSGIHF-MEFGMAGPSA-N 464.909 3.801 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224661022 YUBLBRXHYXEVFC-OAQYLSRUSA-N 471.554 3.870 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408660231 WPKHHDPGHUJCQD-XMCHAPAWSA-N 483.908 3.910 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408824620 IOXZAKPOPXOTKG-PRWBYUBPSA-N 497.960 3.668 5 40 JHBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409165004 QVAXHOGEBJITJD-LZYBPNLTSA-N 475.866 3.710 5 40 JHBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1O 409246478 BVAKCZIZGRWMQM-FRKPEAEDSA-N 461.427 3.513 5 40 JHBB O=C(COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3420379 QGSBGXXANPSGCT-UHFFFAOYSA-N 493.859 3.840 5 40 JHBB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9544333 QIMXJADCFLRFEE-OAHLLOKOSA-N 469.397 3.598 5 40 JHBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c1 223208762 MBUFFCNIFHUOSN-RPWUZVMVSA-N 493.589 3.945 5 40 JHBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224842310 XVGDIUMSXPFURM-OAHLLOKOSA-N 463.918 3.579 5 40 JHBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OC)cc1 2430194 DYPONQLAJZXVCX-UHFFFAOYSA-N 471.517 3.805 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224905604 IIRYTGGHBDVDRR-OAQYLSRUSA-N 487.553 3.570 5 40 JHBB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 408638272 QNLFMAVNQCAVQV-IBGZPJMESA-N 482.489 3.721 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408665073 ZIWCOZDVDHAHOJ-MJGOQNOKSA-N 481.892 3.830 5 40 JHBB O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 1854237 FRWHWPZVBFQTIW-UHFFFAOYSA-N 492.396 3.582 5 40 JHBB Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc2ccccc12 409053285 BTDALXBDVWCFMQ-WLGHQHAYSA-N 499.548 3.860 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1877005 QQXLCBRLTRIJQU-WNCULLNHSA-N 496.523 3.970 5 40 JHBB biogenic CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 10037787 KPRGPPCJWKCERK-JOCHJYFZSA-N 461.540 3.960 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1c(F)cccc1F 101150148 NFABZJCFNKVJKH-IADYIPOJSA-N 480.471 3.735 5 40 JHBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 408700463 GLKSNEGTRQFQJX-UHFFFAOYSA-N 461.540 3.766 5 40 JHBB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 13097073 QMFFHOLXSUHNDC-YVLHZVERSA-N 461.883 3.723 5 40 JHBB Cc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 13670722 AAYHZIGGYVILFA-UHFFFAOYSA-N 467.547 3.848 5 40 JHBB CN(C)c1ccc(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 21382852 YLXIHJSJDYRBRG-UHFFFAOYSA-N 497.529 3.884 5 40 JHBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22576366 KCCGQDLLDYFZMC-UHFFFAOYSA-N 465.944 3.598 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 103973547 DMPVFPMIFJRWHE-YCAMKHIRSA-N 480.480 3.665 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408682605 JTOITEXBKQNUDB-FEBSWUBLSA-N 453.882 3.837 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1 9631014 WCWZBDDWBBZQRY-UHFFFAOYSA-N 454.460 3.744 5 40 JHBB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 40158028 DESAOGGJDKALTO-UHFFFAOYSA-N 460.324 3.982 5 40 JHBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400292 CVKSACCDELHXPY-CQSZACIVSA-N 488.382 3.505 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565625 LOTABWZHCNNEPS-YLORPAJWSA-N 459.502 3.796 5 40 JHBB CN(c1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)nnc12)S(=O)(=O)c1ccccc1 2431132 FWOAHIYYYANQCT-UHFFFAOYSA-N 460.475 3.678 5 40 JHBB CCOCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3329528 UUERKMPNAVNWKG-UHFFFAOYSA-N 457.508 3.890 5 40 JHBB O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21422598 FLXVTXVOGUCRBJ-UHFFFAOYSA-N 457.943 3.875 5 40 JHBB COc1cc(COC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F 23297307 IUGNLHIHLRWFDM-MRXNPFEDSA-N 484.477 3.800 5 40 JHBB O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100391095 IDHAJZKRAQRLLN-UHFFFAOYSA-N 498.316 3.758 5 40 JHBB CN1C(=S)S[C@@H](N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 101030465 XCPXSWDILTVGFP-OEMYIYORSA-N 498.586 3.510 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)Cc1ccccc1 103629432 KCCLZFPCPHFLMW-QVTSOHHYSA-N 492.535 3.544 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408663232 YHQSBJMLBJRHOX-UHFFFAOYSA-N 463.833 3.785 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccs1 2436232 XAJOUNXMMTZPDD-HPNDGRJYSA-N 488.525 3.578 5 40 JHBB O=C(O[C@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21)c1ccc([N+](=O)[O-])cc1 5224033 RQNDPNSXIWCPSZ-XANJAXJYSA-N 489.521 3.997 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1Br 95394115 BSXTYCSQEWWVDL-UHFFFAOYSA-N 457.693 3.997 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 101342813 FIJHVXBCEJWKML-KEZOAJOQSA-N 498.470 3.804 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408688934 XGWQIUJQHKGHLG-MJWYBRSISA-N 498.879 3.911 5 40 JHBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8763042 PJXFIHHAJFAYKX-UHFFFAOYSA-N 483.502 3.508 5 40 JHBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 9129317 RGVHJMBPOBBUGL-ZDUSSCGKSA-N 467.400 3.634 5 40 JHBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)scc12 9381360 AKSSGPGZJCBHCN-UHFFFAOYSA-N 478.486 3.713 5 40 JHBB CCOC(=O)C1=C(C)Nc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2[C@@H]1c1cccnc1 9393870 RAWRFCOHQZNWNH-GOSISDBHSA-N 479.518 3.760 5 40 JHBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(Cl)cc1 9439360 FSKJCYXIISLMSY-UHFFFAOYSA-N 477.930 3.893 5 40 JHBB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 9982319 AEBVYTGEVBCCLB-YVLHZVERSA-N 461.883 3.723 5 40 JHBB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12565267 LLWYBMGYXMPODP-GOSISDBHSA-N 480.468 3.765 5 40 JHBB O=C(c1ccncc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13591792 UAADHONVUAJZAA-OHTANWTRSA-N 454.486 3.898 5 40 JHBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 13758795 HTCXICINKGOFAI-RBZQAINGSA-N 489.484 3.972 5 40 JHBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 13857188 APAGPPBADUDGCN-UHFFFAOYSA-N 455.444 3.711 5 40 JHBB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269630 KXVRQIMYHXKZMK-UHFFFAOYSA-N 454.430 3.577 5 40 JHBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 21124545 GSKAQBKIWNMHEH-UHFFFAOYSA-N 456.808 3.711 5 40 JHBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399559 QGXSBBYRBRCORE-GFCCVEGCSA-N 489.275 3.793 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 103560974 PEMXMCGQBYVHHF-XQUALCHDSA-N 465.465 3.993 5 40 JHBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223238557 QOKOFAZVBJNKSV-YWZLYKJASA-N 475.567 3.514 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC(C)=CC[C@H]2C1=O 408642129 DNMMXRDAMHHQHX-BHIFYINESA-N 475.501 3.955 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409368412 UJPLXQBYUDBONQ-ZNQKWNQWSA-N 497.960 3.668 5 40 JHBB O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2ccccc2C1 1547211199 YXRCFXPFOLGFTI-ROJPAJKQSA-N 496.567 3.506 5 40 JHBB biogenic CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 990359 SHJCVKNAKGDOIY-UHFFFAOYSA-N 472.409 3.638 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 12803188 LXFAGDXDTDJZKA-HNNXBMFYSA-N 479.509 3.716 5 40 JHBB O=C(NC(=S)Nc1ccccc1I)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274748 WRSBSZLDQZVEPH-UHFFFAOYSA-N 496.330 3.926 5 40 JHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 16047115 HXFNQDYKTFQQHQ-SFHVURJKSA-N 450.495 3.848 5 40 JHBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18178602 KFACZZMHGZERSN-VSKRKVRLSA-N 474.429 3.863 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCC[C@@H]3C(=O)Nc4ccccc43)c([N+](=O)[O-])c2)C1 108935413 BLPGKFFGKJJVRM-YJBOKZPZSA-N 458.540 3.553 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224237818 PGLBQKLIXSHMCT-INIZCTEOSA-N 477.945 3.825 5 40 JHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225045975 AXWSRXMDEMHWSY-ROUUACIJSA-N 457.527 3.623 5 40 JHBB CCCCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1 408572243 HNXWAXSCRVMMBK-UHFFFAOYSA-N 455.511 3.913 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408664066 YQNSPXAUOCVROB-UXHICEINSA-N 481.892 3.830 5 40 JHBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408676602 AYRHFKGZRYLTPO-FEBSWUBLSA-N 451.866 3.613 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccc(C)cc1 408996603 JCAKQZCCPPZOKR-PRWBYUBPSA-N 497.960 3.668 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])c1 9121216 SSIJHZYVDFTOTH-UHFFFAOYSA-N 473.498 3.872 5 40 JHBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 13424468 ZLCFNWKDDNSRGH-GOSISDBHSA-N 484.494 3.671 5 40 JHBB COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13503906 QMPVUIYHKLMGLI-HSZRJFAPSA-N 463.542 3.617 5 40 JHBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 13582824 WXENYSPWPAYCBZ-MRXNPFEDSA-N 481.214 3.680 5 40 JHBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21841222 FNSCEXGHUMUVBH-UHFFFAOYSA-N 467.400 3.835 5 40 JHBB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 24586638 ZWWPWFQSRYXDRY-UHFFFAOYSA-N 453.420 3.669 5 40 JHBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-n2cccc2)cc1OC 27752338 IVCLZPOSNVQMFG-UHFFFAOYSA-N 494.533 3.638 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 95929358 UXOPRIYHKUNCRV-JOCHJYFZSA-N 459.462 3.565 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408685184 OXVAWFOPHUPTMX-ILZDJORESA-N 463.490 3.565 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408703230 PXIJSVDOZYZIDJ-UHFFFAOYSA-N 467.931 3.930 5 40 JHBB O=c1/c(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2nc3cc(Br)cnc3n12 408721318 OQWBYYYLPULBOY-OIXVIMQBSA-N 472.107 3.829 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 9467674 NZAPVCHVQLZKRU-UHFFFAOYSA-N 473.482 3.516 5 40 JHBB CC[C@@H](c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n1Cc1ccccc1)N(C)C 10021807 RMNUUEQBTLVNEJ-IBGZPJMESA-N 484.582 3.987 5 40 JHBB COc1cccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc3c(c2=O)SCC3)c1 12140644 MQNNAVZLRBUVNH-UHFFFAOYSA-N 470.532 3.528 5 40 JHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12983125 CDQSCRABTLJEBK-UHFFFAOYSA-N 497.865 3.580 5 40 JHBB Cc1c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 16250188 BHOPPRJFWFVBDV-UHFFFAOYSA-N 453.520 3.775 5 40 JHBB Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 62579923 XBNJIOWTNOWSRH-UHFFFAOYSA-N 456.568 3.541 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646317 IRTQKSXCKTTXMA-LATRNWQMSA-N 481.892 3.519 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@@H]2C1 408661460 XCMQBRZIJPRDAZ-WWEWDKITSA-N 463.490 3.645 5 40 JHBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408670908 JSJJYGAGRUPMPE-KYNGSXCRSA-N 480.473 3.569 5 40 JHBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)C(C)C)c1 409060815 YGIVDSMBBWFKPL-FQEVSTJZSA-N 482.566 3.890 5 40 JHBB O=C(c1cccc(Br)c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 854849 DFGAFSHBNZPTNK-INIZCTEOSA-N 458.190 3.967 5 40 JHBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1 2218493 CKFZTUJKSWXUJL-IBGZPJMESA-N 455.518 3.725 5 40 JHBB Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 9223576 POKOIAFHXNTEFV-SDNWHVSQSA-N 497.533 3.604 5 40 JHBB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9512031 JYLMMDYADJCWIL-UHFFFAOYSA-N 454.490 3.805 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 12568235 SVKCMZRBKFADST-UHFFFAOYSA-N 458.467 3.783 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 32101273 DPZORPIPJSBAQI-MRXNPFEDSA-N 458.190 3.858 5 40 JHBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223238473 VSDDSBUHRRMKHZ-HRAATJIYSA-N 459.568 3.814 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cc(OC)cc(OC)c1 408581609 JOJUREGYJBVZNJ-UHFFFAOYSA-N 473.511 3.630 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)cc1[N+](=O)[O-] 408683633 LUUWYBVJVMEBTP-LJQANCHMSA-N 475.505 3.697 5 40 JHBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409348742 PBIWFAUQIAVAAT-UHFFFAOYSA-N 457.512 3.740 5 40 JHBB Cc1c(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 9087249 XSMRTYAIWOROOS-UHFFFAOYSA-N 463.498 3.909 5 40 JHBB CCCNC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 12415100 IDODWQVCJFLBAW-LJQANCHMSA-N 482.562 3.916 5 40 JHBB Cc1ccccc1N[C@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 12564742 VXQNNTLJMJDESO-CQSZACIVSA-N 450.710 3.943 5 40 JHBB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 12785310 PVOZUPIQHMDCFH-UHFFFAOYSA-N 475.549 3.531 5 40 JHBB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 13114996 FFGJXBMDOGKMRR-UHFFFAOYSA-N 472.350 3.619 5 40 JHBB CCOc1ccc(CN2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 32888504 HHOJGTNQESCROU-UHFFFAOYSA-N 455.558 3.898 5 40 JHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222405312 VIALCKLYGUEXJH-HXUWFJFHSA-N 457.527 3.623 5 40 JHBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 4125391 FKSLHSALTCSHCC-UHFFFAOYSA-N 489.985 3.742 5 40 JHBB Cc1c(O[C@@H](C)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ccc2c1oc(=O)c1ccccc12 8876950 GXTFVQZVTBUXLF-OTWHNJEPSA-N 470.525 3.830 5 40 JHBB biogenic CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)s1 15391444 ZJJQIKYBOBXLNA-UHFFFAOYSA-N 476.492 3.568 5 40 JHBB COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16226777 CAVMEAZROSOANZ-UHFFFAOYSA-N 469.350 3.747 5 40 JHBB Cc1c(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 22231346 ZHGZIEOEFVWBFF-UHFFFAOYSA-N 469.519 3.887 5 40 JHBB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncc([N+](=O)[O-])c(NC4CC4)n3)cc2)cc1 26691915 WQMUFQKCACXULZ-UHFFFAOYSA-N 455.496 3.885 5 40 JHBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccc(N2CCCCCC2)cc1 32810146 NHQNBSBPFRYEPJ-UHFFFAOYSA-N 490.564 3.924 5 40 JHBB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3C=CC=NN32)cc1 34257278 PKBKFBIRMARUGK-UAFMIMERSA-N 456.296 3.678 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408665801 ZLNNKMVEIMXPJY-JSNMRZPZSA-N 483.908 3.910 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408678735 CTOHBRPWXJJANV-XWRIVVANSA-N 481.892 3.686 5 40 JHBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)C2=O)cc1 409108519 UWEUTLSQNDSKTM-VCHYOVAHSA-N 487.490 3.773 5 40 JHBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1ccc(F)cc1F 2496948 WEXPZXSIBAGOTD-UHFFFAOYSA-N 476.486 3.798 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC([C@@H](O)c4ccccc4)CC3)c([N+](=O)[O-])c2)C1 12557998 PQLZITQHAQZBGZ-KOSHJBKYSA-N 473.595 3.965 5 40 JHBB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 22475431 KKYNIGPNOGWOET-QGZVFWFLSA-N 479.514 3.957 5 40 JHBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)CC1 22710419 BDBSKEVJFDKDOV-UHFFFAOYSA-N 474.517 3.883 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] 89395999 VMMLWDFKNLOPRP-UHFFFAOYSA-N 463.446 3.672 5 40 JHBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)C)c1 225651808 KZGMKEYYTILCCL-KRWDZBQOSA-N 459.568 3.779 5 40 JHBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 8898288 RFPPUBPLYSBOOY-UHFFFAOYSA-N 496.637 3.854 5 40 JHBB O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)Nc1cccc([N+](=O)[O-])c1 9059416 SBSCYCQSIVZOMK-UHFFFAOYSA-N 451.464 3.931 5 40 JHBB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 9209550 JQXIKWXARFCYJB-AMDXRBSFSA-N 469.538 3.919 5 40 JHBB COc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)C[C@H](C)CC5)cc1 9344899 GNRYOWQQZOIYLK-GFCCVEGCSA-N 479.591 3.851 5 40 JHBB Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(Cl)c1 9985890 OANZLAGGNCEAKV-UHFFFAOYSA-N 467.931 3.667 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCc3sccc3[C@H]2C)CC1 12806722 JUAUKHLDNCAFAF-OAHLLOKOSA-N 463.581 3.511 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13540849 ATMIMTQWQRBXKU-XOEOCAAJSA-N 472.526 3.809 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cccc1[N+](=O)[O-] 14271433 QYLYDDJEHDVOOV-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB CCOC(=O)c1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 21337075 LIJRJYORCNOTHJ-OAQYLSRUSA-N 483.521 3.648 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247358824 YVABIXBWEIIYHN-QPXUXIHVSA-N 498.470 3.762 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408565407 KLFMHNWXXXPPDY-LNXUECGXSA-N 477.492 3.935 5 40 JHBB COc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566859 POMWKCYUQMHMSG-DQMRONCHSA-N 488.338 3.521 5 40 JHBB Cc1c(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 675997 QLQKUXAWZZDVIR-IBGZPJMESA-N 498.754 3.931 5 40 JHBB O=C(NC1CCCCC1)c1nnn2c1sc1c(C(=O)NC3CCCCC3)nnn1c1ccccc12 1409697 YZHOCOLEKMRHPX-UHFFFAOYSA-N 492.609 3.674 5 40 JHBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC(N)=O 3411675 XSHCJHHKKKJVTJ-SECBINFHSA-N 457.386 3.505 5 40 JHBB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1 8685606 DZCXSYPZSBJMJA-AWEZNQCLSA-N 451.932 3.526 5 40 JHBB CCOC(=O)C1=C(C)Nc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2[C@H]1c1ccncc1 9393882 BYQBERNHLPBKSQ-SFHVURJKSA-N 479.518 3.760 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 13083178 ZCEKIAVBCCMAAK-UHFFFAOYSA-N 493.911 3.557 5 40 JHBB O=[N+]([O-])c1ccc(NCc2ccccc2COc2ccccc2)c(S(=O)(=O)N2CCOCC2)c1 30521410 UOAMJFZOSKZFGV-UHFFFAOYSA-N 483.546 3.807 5 40 JHBB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224973976 JYWBFXLTFQLOGC-OAQYLSRUSA-N 460.556 3.768 5 40 JHBB C[C@H](c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1Cc1ccccc1)N(C)C 2653068 CNHNYFWGNGJGKS-CQSZACIVSA-N 458.519 3.727 5 40 JHBB CC(C)Cn1c(-c2cc([N+](=O)[O-])ccc2Cl)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8684967 RPJWRECVJHBARY-UHFFFAOYSA-N 453.886 3.819 5 40 JHBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC 12371188 QOGQBXLXAKNJRU-RUZDIDTESA-N 462.458 3.619 5 40 JHBB COC[C@@H](C)n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc2c1=O 13134820 BYHSGIIQSPCOCH-CYBMUJFWSA-N 453.480 3.854 5 40 JHBB CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 13672885 XTIQZMZFJLDMJW-UHFFFAOYSA-N 483.502 3.606 5 40 JHBB O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCc2ccccc21 15632855 CAQKTYKZLGLXQB-UHFFFAOYSA-N 498.605 3.575 5 40 JHBB O=[N+]([O-])c1ccc(/C=C/Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)o1 23990142 JYYTUMJROGVVNO-XNTDXEJSSA-N 486.575 3.852 5 40 JHBB O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)cc1 100128954 DXDOHXNRIGUPJH-SFHVURJKSA-N 482.846 3.721 5 40 JHBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 3256555 YXSFAYCYGJMADY-UHFFFAOYSA-N 477.296 3.677 5 40 JHBB Cn1c(C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 9675699 IEQCLCJOWZWGDV-LJQANCHMSA-N 478.530 3.599 5 40 JHBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14272653 KXPZZCNUVFJDHW-UHFFFAOYSA-N 458.478 3.726 5 40 JHBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(I)cc1 22569488 QAUXNMVGFRAWQX-UHFFFAOYSA-N 461.668 3.980 5 40 JHBB Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cccc1[N+](=O)[O-] 33366164 GPCUFWSFSDJHDB-UHFFFAOYSA-N 453.499 3.764 5 40 JHBB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)O2)cc1 8843066 DTHWOOFEAGQTRM-HSZRJFAPSA-N 497.485 3.610 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 9493951 NSFOPAFGOGKUPC-UHFFFAOYSA-N 460.556 3.786 5 40 JHBB COc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c(=O)n4ccccc4nc32)cc1 101108185 BOBUMMCAMLBKIC-UHFFFAOYSA-N 499.958 3.769 5 40 JHBB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224178033 AKYCPJDDHYBRCJ-LJQANCHMSA-N 483.974 3.605 5 40 JHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O 408640998 BYGHSGPWTBJXFY-NSHDSACASA-N 467.261 3.689 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1Br 408661121 DHXVQZWTULUHEV-UHFFFAOYSA-N 478.299 3.875 5 40 JHBB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409334580 HKOXGRDYBKFXME-IERDGZPVSA-N 472.494 3.819 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083553 MKZVRYGEGSVKGJ-INIZCTEOSA-N 493.911 3.557 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 13540279 WDKSHQXVVHSSAZ-VRIJDZSUSA-N 490.516 3.948 5 40 JHBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22750127 AWMHPFFHYBQBMU-ONNFQVAWSA-N 491.982 3.998 5 40 JHBB CCSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 40398917 UBVDPEPLCPQLPH-TYILLQQXSA-N 450.568 3.928 5 40 JHBB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 224822069 HGVHBAVHIHPSEK-UHFFFAOYSA-N 483.546 3.508 5 40 JHBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092719 BRYLPBDMTRHMQC-MRXNPFEDSA-N 481.526 3.844 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1[N+](=O)[O-] 3468753 DVWJSWULVSLVII-UHFFFAOYSA-N 453.311 3.913 5 40 JHBB COc1ccc(-n2nc3c(c2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CSC3)cc1 9367701 PLEVCUKDJIYHID-UHFFFAOYSA-N 456.480 3.805 5 40 JHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187148 UGGQGAXPEWDAEO-NSHDSACASA-N 472.957 3.711 5 40 JHBB CCOc1ccc(NC(=O)COc2c(C)ccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 12848255 ZFYKIEUMCSXGCX-UHFFFAOYSA-N 491.566 3.802 5 40 JHBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(I)c1 22741473 DRBKIHIQYSPKQQ-UHFFFAOYSA-N 484.300 3.936 5 40 JHBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 138547803 ANSOZPNPFZJNTD-FVCZOJIISA-N 451.866 3.613 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 248078396 CGCRXLSKRHHLNI-CMOCDZPBSA-N 459.502 3.908 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408649507 LBEUJQVONYDCDY-GIYXBHJWSA-N 499.523 3.585 5 40 JHBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 9202863 SMYFSOGJBHJGKP-BAEXCKCRSA-N 482.876 3.823 5 40 JHBB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410791 NCPSYDRCCWYIBN-UHFFFAOYSA-N 450.289 3.763 5 40 JHBB COc1cc(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c([N+](=O)[O-])cc1OC 23106429 NWRSIMMFKXGVBC-QFIPXVFZSA-N 465.506 3.569 5 40 JHBB Cc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 23644619 YGEUZGPPQFIJML-UHFFFAOYSA-N 487.818 3.829 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 247331538 PAIAUZTXCXMHPH-IEGVJNCJSA-N 453.454 3.923 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408582187 BVFPTAYOEPVBHZ-UHFFFAOYSA-N 467.931 3.795 5 40 JHBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC[C@@H](C)C[C@@H]2C1=O 408661451 XCMQBRZIJPRDAZ-ALGWMNEGSA-N 463.490 3.645 5 40 JHBB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 3401158 WZPJWYOBINZKAW-UHFFFAOYSA-N 485.474 3.721 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(Br)cc12 8868289 ZWWNXXOKAHKSHV-UHFFFAOYSA-N 452.330 3.976 5 40 JHBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1C(=O)O 20153098 LIMSBWKGWWWZII-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224660527 UGFXBSHPPLAMRG-KRWDZBQOSA-N 473.473 3.783 5 40 JHBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408648205 JTHUOYUSFPTQQO-WTPAXMCGSA-N 493.903 3.684 5 40 JHBB Cc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409128996 QHAWRNBJRZSSTA-HXUWFJFHSA-N 482.566 3.890 5 40 JHBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)c1 2255320 KJWFTSJGRLYMSX-LJQANCHMSA-N 483.528 3.948 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9882491 MZZAFECJIPNAAP-QHCPKHFHSA-N 466.582 3.996 5 40 JHBB COc1ccc(-c2csc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)n2)cc1Br 12700496 KDJCUMMAYPDXOR-UHFFFAOYSA-N 466.317 3.941 5 40 JHBB O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12958793 DWJMJLDQJUEDGQ-INIZCTEOSA-N 485.850 3.574 5 40 JHBB O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 13895774 HSAIMDQWNORJNI-RQLGBQGVSA-N 487.562 3.994 5 40 JHBB Cn1ncc(I)c1C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 22718067 RSEPSENMFUJPLS-UHFFFAOYSA-N 481.275 3.731 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Oc2ccccc2)cc1 408672030 YSCWZOYYHNCJEA-KRWDZBQOSA-N 475.457 3.922 5 40 JHBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 409139314 AELXFLOSAYVHTJ-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB CCc1cc(I)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900721 FMHFSCPGDDUXGH-UHFFFAOYSA-N 481.290 3.851 5 40 JHBB O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 16384484 LJNBCRTXMRVOTH-UHFFFAOYSA-N 458.677 3.836 5 40 JHBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 21578333 CTGCYAQUYYIVAB-UHFFFAOYSA-N 460.918 3.714 5 40 JHBB Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4ncnn34)n2)cc1 36619037 IARPKNSXGNUBAE-UHFFFAOYSA-N 454.450 3.505 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102946605 AXZLBPACMVJUEU-KNQAVFIVSA-N 462.389 3.652 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408571699 CSZXTFGCMDCMEH-XBXARRHUSA-N 488.884 3.695 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 9245667 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Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3)c2=N)cc1 100869859 SMHFMLPSPXTBAR-UHFFFAOYSA-N 463.541 3.724 5 40 JHBB COc1ccc(Cn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 101052597 XLAAADJLKCRFQP-GOSISDBHSA-N 479.540 3.677 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F 106108956 DOKYWDXSWXQZJV-CYBMUJFWSA-N 472.502 3.567 5 40 JHBB CC(C)OC(=O)C[C@@H](NC(=O)CN(C)c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 507152473 UWJNJLGCQJRIQG-QGZVFWFLSA-N 456.524 3.840 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C 9328797 KBWGOMYAPSFFFK-IBGZPJMESA-N 469.523 3.871 5 40 JHBB COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 9446791 RKTBMPAWMCPUBA-UHFFFAOYSA-N 471.535 3.969 5 40 JHBB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] 9492618 GWEKMFJXYRDJRC-UHFFFAOYSA-N 456.764 3.799 5 40 JHBB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 13575767 LEJRNZOKRVDXRP-MOSHPQCFSA-N 461.430 3.711 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 22268571 LTYHMLTXVVTKRI-QFIPXVFZSA-N 483.546 3.830 5 40 JHBB O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F 98003806 YPRRFXPETKMPCU-GHMGLMHVSA-N 453.325 3.955 5 40 JHBB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 223530570 SKQWRQBJHUJEOG-KRWDZBQOSA-N 499.545 3.685 5 40 JHBB CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 6547757 VGPQEQCIARSVOL-QHCPKHFHSA-N 496.541 3.627 5 40 JHBB CN1C(=S)S[C@H](N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2cccc([N+](=O)[O-])c2)C1(C)C 8443498 XCPXSWDILTVGFP-IKVWTGGYSA-N 498.586 3.510 5 40 JHBB CC(C)CCn1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2c1=O 8879396 UGCJWQIUQOXHRF-UHFFFAOYSA-N 472.885 3.800 5 40 JHBB O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1Cl 16385779 UHDVWYHXBLRRJI-UHFFFAOYSA-N 458.677 3.836 5 40 JHBB CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 23755476 WPLRLLVSITZNTF-UHFFFAOYSA-N 488.591 3.624 5 40 JHBB COC(=O)c1cc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])oc1C 71186080 DHYTUUDYTNQGTG-UHFFFAOYSA-N 465.528 3.752 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408678100 COCOYOXMGDHHKG-CPLUKWAASA-N 498.333 3.946 5 40 JHBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 409126963 IIJXRXZFOUUEGQ-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 914692 KMWVSKDQMBIGJD-UHFFFAOYSA-N 478.530 3.839 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1877007 QQXLCBRLTRIJQU-HOFKKMOUSA-N 496.523 3.970 5 40 JHBB biogenic O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9466918 IKBOMELBFRSCJL-FQEVSTJZSA-N 477.864 3.929 5 40 JHBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)cc1 10287727 HJLREMIMROAIKA-NCELDCMTSA-N 491.569 3.977 5 40 JHBB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1Nc1ccccc1 14944663 SBTVFLVTXYADCA-UHFFFAOYSA-N 482.518 3.612 5 40 JHBB C[C@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1 16957488 JKIZXGSZFOUAAJ-HNRBIFIRSA-N 474.686 3.752 5 40 JHBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC 408566824 PCZUPJAPJTWOGY-BPAHWYKVSA-N 490.354 3.815 5 40 JHBB CCOC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409373262 STKBUTVSJVQQAN-YKUCYRFJSA-N 468.465 3.648 5 40 JHBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc([N+](=O)[O-])ccc4n3C)cc2)C1 9367554 IBSFJJYHXVTZCF-MRTGLHLOSA-N 488.591 3.556 5 40 JHBB O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16384023 XPNYMWZGEYELIN-UHFFFAOYSA-N 453.351 3.667 5 40 JHBB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C 16767670 HBKQNFSLXRLZBE-MRXNPFEDSA-N 478.523 3.553 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176549 VACKJRDDYHRCKO-OLFWJLLRSA-N 472.545 3.984 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223157548 BMQZPGMLOIKYMN-PKTZIBPZSA-N 479.562 3.555 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408665806 ZLNNKMVEIMXPJY-XMCHAPAWSA-N 483.908 3.910 5 40 JHBB Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccccc2)c([N+](=O)[O-])c1 9425427 QMBDRBIALAPNSY-OPAMFIHVSA-N 487.468 3.811 5 40 JHBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 10128420 ZISOKDDAUJDGJF-OAQYLSRUSA-N 453.520 3.740 5 40 JHBB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13097049 WCFGRYSFNHSZBN-UHFFFAOYSA-N 458.809 3.974 5 40 JHBB COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2nc(-c3ccc(C)cc3)cs2)cc1OC 32932385 PQBCDXFNFMYPOD-UHFFFAOYSA-N 457.508 3.991 5 40 JHBB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)n2)c1 57688645 DUGUARHVXQTNLO-UHFFFAOYSA-N 467.551 3.796 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 58357707 CIVOIZBTNPSQGP-UPVQGACJSA-N 464.566 3.701 5 40 JHBB CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223974073 HRNLWDPLOJRRQC-HXUWFJFHSA-N 463.556 3.726 5 40 JHBB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 225175991 WCFXKTCZQAZCJA-OAQYLSRUSA-N 461.584 3.889 5 40 JHBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225568852 ZSVAUKSGLQHPHH-XMMPIXPASA-N 491.544 3.677 5 40 JHBB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1 408647862 XRIKJBGYQMQVNG-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB CC(=O)Nc1ccc(NC(=O)CSc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 2685323 OYDJFMCBBIHLEI-UHFFFAOYSA-N 477.442 3.578 5 40 JHBB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 6088645 TXZJIHYHBQIRQC-UHFFFAOYSA-N 469.475 3.825 5 40 JHBB CC(C)OCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 8768104 IXEHLVFPWLHLSR-RCZVLFRGSA-N 476.533 3.576 5 40 JHBB biogenic Cc1ccc(NC(=O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)c(Br)c1 12922457 AITMWBYZZISEPR-UHFFFAOYSA-N 486.326 3.615 5 40 JHBB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 23502238 QCGCQBDCVITFOJ-QGZVFWFLSA-N 455.511 3.943 5 40 JHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58156798 COAMBSFWKVRRGU-PMACEKPBSA-N 469.611 3.531 5 40 JHBB CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286251 HHBOWTKRNVETCN-XMMPIXPASA-N 478.549 3.721 5 40 JHBB CC(C)OCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 101161301 PDIGCNKCCFKZAL-UHFFFAOYSA-N 479.968 3.527 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734112 OHQNDLZFMYZILX-YTFSRNRJSA-N 475.457 3.663 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@H]2C1 408661457 XCMQBRZIJPRDAZ-RFZJPIJTSA-N 463.490 3.645 5 40 JHBB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092976 JIHMWFNYOBQSLC-MRXNPFEDSA-N 451.500 3.835 5 40 JHBB biogenic Cc1c(NS(=O)(=O)c2ccc(N(C)C3CCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9337680 FUDFUBZFMHYWDB-UHFFFAOYSA-N 485.566 3.572 5 40 JHBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 9510236 CBIYRNNFNCUSCO-UHFFFAOYSA-N 461.540 3.960 5 40 JHBB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2)cc1 9613208 HNXUKRDNCIEEIQ-UHFFFAOYSA-N 487.465 3.639 5 40 JHBB CC(C)OC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl 10815523 YOYVWRVINOQTIR-FQEVSTJZSA-N 475.929 3.898 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 13969190 KTSPXCQLDCOQIN-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 22998652 OXTCVUYPKOXHLP-RMKNXTFCSA-N 498.561 3.600 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 24771237 UDLICKUAQFAMOC-WOJBJXKFSA-N 491.903 3.705 5 40 JHBB O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619124 CFJKBVKMCMIHQN-UHFFFAOYSA-N 492.858 3.989 5 40 JHBB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 100821725 FTSZOEQROKGLEN-SFHVURJKSA-N 464.503 3.975 5 40 JHBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 408527166 FFUOPLNDWODLIX-UHFFFAOYSA-N 458.478 3.756 5 40 JHBB CN(CCCN1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1748124 XWBNVIBNSJMCTA-UHFFFAOYSA-N 494.529 3.518 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc([N+](=O)[O-])cc1 9245669 UXGJVFWQBGZVEQ-UWDQQESISA-N 468.506 3.942 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccccc1SC(F)F 10100367 MYIZRKHKADYMKO-UHFFFAOYSA-N 467.450 3.542 5 40 JHBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 13109526 WASGDZJSNPAJIF-UHFFFAOYSA-N 483.436 3.765 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13126218 MGUVFZKFEPZMKC-UHFFFAOYSA-N 487.456 3.662 5 40 JHBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCC[C@H]2CCCC[C@H]21 14598220 YLKNIHFHNYKTOY-DNVCBOLYSA-N 469.991 3.830 5 40 JHBB COc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c([N+](=O)[O-])c1 19927829 TXOIFEHMBUNFST-UHFFFAOYSA-N 464.301 3.882 5 40 JHBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 20528531 SAWHOGMLGLGVDK-UHFFFAOYSA-N 474.945 3.960 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1C 2427008 PYBAUTJTGLBDEH-UHFFFAOYSA-N 474.542 3.528 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NC4CC4)cc3c3ccnc2c31 8792347 GNJJEFDXDDKRLM-ZDUSSCGKSA-N 457.486 3.655 5 40 JHBB biogenic CCOC(=O)C1=C(C)Nc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2[C@@H]1c1ccncc1 9393879 BYQBERNHLPBKSQ-GOSISDBHSA-N 479.518 3.760 5 40 JHBB O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 12533495 ZKUQTKMIHYWOAI-UHFFFAOYSA-N 486.477 3.778 5 40 JHBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 12606471 WUHYBYCTPJCHLQ-UHFFFAOYSA-N 496.589 3.849 5 40 JHBB COc1cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1OC(F)F 12782572 HZRWJDGSQMAASM-UHFFFAOYSA-N 485.446 3.746 5 40 JHBB COC(=O)c1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(=O)OC)c1 33650537 KABGOURRVZECND-UHFFFAOYSA-N 483.458 3.555 5 40 JHBB CCCCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101093910 CHLZJGWLFLMRTC-FAJYDZGRSA-N 476.508 3.896 5 40 JHBB CCCn1/c(=N\C(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102811447 FNQAMKZXYXYCJI-OLFWJLLRSA-N 472.545 3.902 5 40 JHBB Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(C)c1 108268059 ZADPMBVAXJLWBS-UHFFFAOYSA-N 452.555 3.930 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408592837 OVFZEABLILVBRP-MRXNPFEDSA-N 461.540 3.920 5 40 JHBB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408781751 FOHGLRSUIHZECZ-UHFFFAOYSA-N 476.551 3.937 5 40 JHBB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10041906 UFPNSOUHNXRENR-UHFFFAOYSA-N 497.891 3.630 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3Br)cc2[N+](=O)[O-])CC1 12556436 UVAOGXCDMJFAEK-CQSZACIVSA-N 475.343 3.517 5 40 JHBB Cc1c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nn2c(C)nnc2s1 14269254 BSYXBSRDJQZRTA-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 22024841 AZBPJZSCRTUYSG-SFHVURJKSA-N 477.436 3.513 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 39987731 CDFMCVSKVGDLRS-HNNXBMFYSA-N 491.957 3.674 5 40 JHBB Cc1cc(C)n2nc(CCCNc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3[N+](=O)[O-])cc2n1 48325846 FBINWCLKZMNURE-INIZCTEOSA-N 486.598 3.720 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224933576 IGERCLYLBJDARJ-UHFFFAOYSA-N 460.556 3.688 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408641869 DGRNVXHGFJBSHN-USCONSEESA-N 491.500 3.573 5 40 JHBB COc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409141195 UPMSLKRBISZMOC-FQEVSTJZSA-N 498.565 3.590 5 40 JHBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1cccc([N+](=O)[O-])c1 409342218 CUTREIDZZIEDGG-CLFYSBASSA-N 454.395 3.852 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9330878 SNAIXWGWRZKBQP-NJDAHSKKSA-N 460.402 3.554 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c([N+](=O)[O-])cc1C 9373186 WSRQEXHJBTZCKJ-NRFANRHFSA-N 457.483 3.644 5 40 JHBB Cc1nc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br 14270748 OFKDUWLTCHRCRX-UHFFFAOYSA-N 464.345 3.788 5 40 JHBB CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O 16958305 RJBINDGPUXDXQT-JCMHNJIXSA-N 451.442 3.909 5 40 JHBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408652059 OCLIJGJQJKUEPF-NRFANRHFSA-N 457.442 3.910 5 40 JHBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408670905 JSJJYGAGRUPMPE-GDIGMMSISA-N 480.473 3.569 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409140472 DWJAXQMXRHERGB-FQEVSTJZSA-N 482.566 3.890 5 40 JHBB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 918548 DCXYYHIACZNDOV-UHFFFAOYSA-N 494.529 3.621 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 12977544 CTAYBXUOYBRFFR-DFQSSKMNSA-N 463.600 3.779 5 40 JHBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1ccccc1OC(F)F 408606118 OEYQBWCFNYZFQT-JXMROGBWSA-N 474.376 3.585 5 40 JHBB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1C 408665184 ONZUTJUQKDKVMC-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 9129187 JCQYREOWWMNWHB-GOSISDBHSA-N 467.499 3.623 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 9192645 FIQAXOQIZLEOCM-UHFFFAOYSA-N 460.490 3.818 5 40 JHBB Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])N2CCOCC2)o1 24527844 SAPPZZKSBVYRTN-JOCHJYFZSA-N 492.598 3.546 5 40 JHBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43542836 MRGMPRQUSGKBCP-LRSLUSHPSA-N 455.426 3.586 5 40 JHBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCC2 57316551 ZFXFCRIEVDTSDM-UHFFFAOYSA-N 456.505 3.631 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101490533 ZVLKSWDBHGRLPT-GPJHCHHRSA-N 459.502 3.853 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408527677 FESSDPCUCYSMQU-UHFFFAOYSA-N 467.503 3.672 5 40 JHBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409094295 DMBLDWYUBSYKRG-BUESGFEBSA-N 472.475 3.780 5 40 JHBB COc1ccc(-c2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1OC 2704946 SVRJKUPZJJNBED-NDENLUEZSA-N 476.470 3.551 5 40 JHBB O=C(CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 8989913 YKRIGZNKZRSTON-UHFFFAOYSA-N 463.450 3.582 5 40 JHBB Cc1nc2ccccc2n1CCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9318662 RDRHBCKAXHNZQL-UHFFFAOYSA-N 476.459 3.804 5 40 JHBB C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13646550 IXIRGHCAMCRCMS-QGZVFWFLSA-N 451.504 3.768 5 40 JHBB C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 17130610 NZPXTGXZYJGVNK-DOKAVIGKSA-N 464.478 3.677 5 40 JHBB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 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COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 12361706 IGBYVZNZFXXXER-QFIPXVFZSA-N 457.508 3.516 5 40 JHBB Cc1ccc(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 13646889 LLQZKGSJEVXQFL-UHFFFAOYSA-N 467.547 3.848 5 40 JHBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 16681567 JROSUBAIHLMMID-UHFFFAOYSA-N 477.974 3.526 5 40 JHBB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18208483 URRNKCCGLYISGN-VABKMULXSA-N 493.447 3.802 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20083073 KVIVOKGVQHEWLH-KIHHCIJBSA-N 465.465 3.993 5 40 JHBB CCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101175900 UOEBICRSBDYVKF-OLFWJLLRSA-N 488.544 3.684 5 40 JHBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224708661 HPJQJIZFAGXVMM-OAHLLOKOSA-N 462.344 3.842 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 224834538 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CC1(C)C[C@@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C(C)(C)C)C2=O 101419079 FSYNNGJVBQNMLP-LSRSIBRKSA-N 468.554 3.788 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102750898 FDRVSJNOHWSSMY-XPWALMASSA-N 493.447 3.802 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(O[C@@H](C)CC)c3)CC2)c([N+](=O)[O-])c1 408576998 ZIUKZKNDXYKLBM-KRWDZBQOSA-N 455.511 3.911 5 40 JHBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c23)CO1 9272327 OGOKHAUMDVSNRL-UHFFFAOYSA-N 483.550 3.727 5 40 JHBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 9955206 RQMOPBOFCOZNHP-INIZCTEOSA-N 455.511 3.913 5 40 JHBB CCCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 11692069 KDKHVROVWNINRF-UHFFFAOYSA-N 459.506 3.814 5 40 JHBB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 16235285 LXKDQFUPYMCYHD-UHFFFAOYSA-N 475.427 3.827 5 40 JHBB CC(C)Cn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 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C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408684214 NAFSGHXDOUXNHO-IQVOZAENSA-N 481.892 3.686 5 40 JHBB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409054464 GINKPMBQGKRDPF-OVCLIPMQSA-N 462.256 3.515 5 40 JHBB Cc1c(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc2c1oc(=O)c1ccccc12 2113798 KPSVCBXPHRRKCB-QFIPXVFZSA-N 470.481 3.927 5 40 JHBB biogenic COCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)cs1 6904809 LHJUSQQKRPZVJN-UHFFFAOYSA-N 473.507 3.794 5 40 JHBB CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 8831342 WGZOSVFKPHDEER-UHFFFAOYSA-N 455.277 3.889 5 40 JHBB CS(=O)(=O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 12590320 WAJPHJXWQPDLPC-UHFFFAOYSA-N 471.457 3.872 5 40 JHBB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1 100821168 WBXLITPNPTXYLP-QURGRASLSA-N 476.580 3.700 5 40 JHBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223113093 DWOCXDWAVWIBAQ-HXUWFJFHSA-N 459.568 3.816 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408658134 HSXZBOXEMYIICJ-UHFFFAOYSA-N 470.265 3.811 5 40 JHBB CCCCCCn1nc(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c2ccccc2c1=O 9457959 FZKIWPSZTDUCNT-UHFFFAOYSA-N 466.494 3.989 5 40 JHBB COc1ccc(OCCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9485952 YGDWXSWQWNDRIB-UHFFFAOYSA-N 456.373 3.963 5 40 JHBB Cc1ccc(-n2ccnc2SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 11872360 VENPNXFAZYKPDG-UHFFFAOYSA-N 451.552 3.838 5 40 JHBB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1C 12544414 OCUIHBAXPMWCPU-UHFFFAOYSA-N 485.548 3.760 5 40 JHBB COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@@H]1c1ccccc1OC 102754108 NEZDOKOVOUSLEG-LJQANCHMSA-N 494.529 3.983 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc([N+](=O)[O-])c1O 409154450 OLVUTMGZXSVRKP-YVLHZVERSA-N 457.464 3.683 5 40 JHBB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409368119 RVNWXPXRPDNGOI-ZCOIRKDISA-N 468.465 3.683 5 40 JHBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2236008 JMPANNUWTAXNOK-KRWDZBQOSA-N 469.501 3.542 5 40 JHBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])c1 16637103 ANSMGELJLIRHFD-UHFFFAOYSA-N 450.904 3.879 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCSc2ccc(Cl)cc21 16738170 KCVVOBINMMUPBB-MRXNPFEDSA-N 469.972 3.918 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3cccs3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 20098375 MJBZWXZDCSIZJC-JOCHJYFZSA-N 479.541 3.742 5 40 JHBB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 27018525 IKXJWVYERIOJAK-OAQYLSRUSA-N 474.473 3.990 5 40 JHBB Cn1ccnc1Sc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1[N+](=O)[O-] 33623552 OXLQACRJXJBECR-OQLLNIDSSA-N 451.420 3.732 5 40 JHBB O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1)c1ccccc1O 34849487 FIUQJDBXHYEKFY-UHFFFAOYSA-N 464.459 3.518 5 40 JHBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3Cl)c2=N)cc1 101088217 RZTTUPDEBWQHDO-UHFFFAOYSA-N 490.972 3.972 5 40 JHBB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cc([N+](=O)[O-])ccc1F 102396116 XUUDDLCPYSCVDZ-TYGXQLQZSA-N 455.280 3.950 5 40 JHBB Cc1nc2c3c4c(sc3n3c(SCC(=O)NCc5ccccc5)nnc3n2n1)CCCC4 658415 DXMKEDOYRJIERC-UHFFFAOYSA-N 463.592 3.582 5 40 JHBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCC(C)CC1 14400347 VFAWUUZQHIASMX-UHFFFAOYSA-N 467.931 3.930 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C1CCCCC1 29354805 BKDLIAQETZANLA-JVCXMKTPSA-N 484.556 3.882 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 100961836 YVABIXBWEIIYHN-NEWJYFPISA-N 498.470 3.762 5 40 JHBB COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1 101075492 OHQNDLZFMYZILX-VABKMULXSA-N 475.457 3.663 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br 138976850 CDTVDEVTZKPQOH-UHFFFAOYSA-N 464.272 3.566 5 40 JHBB C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 245225552 XZYJFTCOIUPDHU-QRVBRYPASA-N 450.605 3.611 5 40 JHBB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408923043 IQZVYEIWKJXQOO-UHFFFAOYSA-N 483.502 3.524 5 40 JHBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409245326 QXAPJMRUKNERQN-UYRXBGFRSA-N 460.446 3.949 5 40 JHBB COc1ccc(CCn2c(-c3ccco3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2357131 KAPYWBGEQFMWHG-UHFFFAOYSA-N 457.486 3.768 5 40 JHBB CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 6600700 BUEJTKOTHAXIKI-YKUCYRFJSA-N 484.464 3.629 5 40 JHBB COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396711 KJFBTQCZHPQKRT-UHFFFAOYSA-N 483.546 3.766 5 40 JHBB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504920 LNGXJPPWDZHLIH-RUZDIDTESA-N 485.548 3.550 5 40 JHBB CSc1n[nH]c(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)n1 40398899 OKEPSJJVBUAFBS-UHFFFAOYSA-N 471.329 3.837 5 40 JHBB O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 9312799 VXNPWLSUMVHERL-OLKYXYMISA-N 480.480 3.749 5 40 JHBB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12563637 RSHGMWVHKLIPIO-GOSISDBHSA-N 480.468 3.765 5 40 JHBB C[C@@]12O[C@@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 13447673 AMSOPBXQXSAAAC-RBWOYHBQSA-N 453.454 3.567 5 40 JHBB biogenic O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 20528709 KOPQLIUBXYQPPK-GIDUJCDVSA-N 486.528 3.974 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2nc3ccccc3s2)CC1 32913347 HMQGSPFNRJPTJS-UHFFFAOYSA-N 487.607 3.706 5 40 JHBB CC1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 58247089 SXWKPAIJNGJXLL-QFIPXVFZSA-N 464.566 3.795 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)/C=C/c1ccccc1 101099552 NMOIEBKOQOAKOS-UEHGPKANSA-N 470.529 3.856 5 40 JHBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223733871 COTLUEUKQCJTAH-FGZHOGPDSA-N 465.535 3.706 5 40 JHBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408565430 BVURABJQLDBUKS-HVKYQEHZSA-N 490.354 3.815 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408659049 VLTIEYKEEMNKTB-LRGYGIHKSA-N 481.892 3.519 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 408688903 XCQOJYQXSPKCMS-HDICACEKSA-N 486.868 3.889 5 40 JHBB COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cc([N+](=O)[O-])c1 2635533 UPBBTIITUNJVAC-UHFFFAOYSA-N 494.456 3.616 5 40 JHBB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9987616 SFDDFJNISQRVKE-UHFFFAOYSA-N 488.349 3.950 5 40 JHBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCC[C@@H]2CCCC[C@@H]21 14598217 YLKNIHFHNYKTOY-KXBFYZLASA-N 469.991 3.830 5 40 JHBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1Br 16449258 YLUMLDDNEZWKIX-UHFFFAOYSA-N 483.775 3.848 5 40 JHBB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C(C)C 16519663 IMVUWHNMFBGXCL-UHFFFAOYSA-N 485.562 3.640 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cc1[N+](=O)[O-] 22702647 OSWHOLKUEIWCJJ-UHFFFAOYSA-N 483.502 3.705 5 40 JHBB Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 24829633 PPPVTSBFXFXYQB-UHFFFAOYSA-N 472.295 3.972 5 40 JHBB CCOc1ccc(NC(=O)C[C@@H](NCCCCCN(C(C)C)C(C)C)C(=O)O)c([N+](=O)[O-])c1 65090339 MYWXZYYCGMYAHM-HXUWFJFHSA-N 466.579 3.654 5 40 JHBB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 107732452 BDKNFNYFUXJCLC-SHLUWWQESA-N 477.857 3.898 5 40 JHBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)c1 223208874 MBUFFCNIFHUOSN-ZEQRLZLVSA-N 493.589 3.945 5 40 JHBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC 408570198 ZTTHTBLDOUQSQL-OTPBECDQSA-N 490.354 3.768 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1[N+](=O)[O-] 408673410 RYROFRPSXULHGB-LESCRADOSA-N 480.473 3.569 5 40 JHBB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729804 DEMARJUSQMKNRE-OAQYLSRUSA-N 471.535 3.881 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409127859 HUWSLMZJACRXIM-VCHYOVAHSA-N 458.448 3.693 5 40 JHBB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8831467 YOCCUHSSUBCSNN-UHFFFAOYSA-N 454.464 3.884 5 40 JHBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 8882798 YTLCOMAYWGCJDZ-HSZRJFAPSA-N 484.468 3.577 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O 9129186 NADLGOPYIYUZPN-GCJKJVERSA-N 456.886 3.679 5 40 JHBB COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1OC 9368349 ZLWMJFTYGHXHSN-UHFFFAOYSA-N 493.498 3.586 5 40 JHBB COCCn1c(C)cc(C(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 9492724 MLGJCAFADRYHNU-UHFFFAOYSA-N 457.405 3.516 5 40 JHBB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 9953532 AXKYAXFGCTUISN-UHFFFAOYSA-N 459.260 3.534 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13539878 VYAITNNQJYRZKQ-DEJKCJRPSA-N 472.526 3.809 5 40 JHBB CC[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260917216 CSRXIZJPWRBETH-YLJYHZDGSA-N 477.583 3.951 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408684111 MVRHLCASWWXBIF-HDICACEKSA-N 484.852 3.665 5 40 JHBB O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1I 3145669 JJLJAEVSEYFSMC-QPEQYQDCSA-N 453.623 3.770 5 40 JHBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186967 QVRHEMAUCCGGBE-HNNXBMFYSA-N 464.550 3.572 5 40 JHBB CC(C)N(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C1CCCC1 12854697 JNDHJHDYVCWQLQ-UHFFFAOYSA-N 457.980 3.829 5 40 JHBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2ccccc2C1=O 408664140 NSULHVYUQKDFEC-KRWDZBQOSA-N 499.479 3.971 5 40 JHBB CC(=O)Oc1cc2c[n+](C)c3c4cc(OC(C)=O)c(OC(C)=O)cc4ccc3c2cc1OC(C)=O 1731087 FNEAZNAMEJZRMT-UHFFFAOYSA-N 476.461 3.672 5 40 JHBB O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 4017698 BDISFISBNFNQNK-CQSZACIVSA-N 492.728 3.916 5 40 JHBB COc1ccc(CCNC(=O)c2ccccc2NCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 9491878 JNZLLAJEGIYZRW-UHFFFAOYSA-N 462.506 3.935 5 40 JHBB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1OC)c1cccc([N+](=O)[O-])c1 12413220 IFNQVMSKZLYALG-SFHVURJKSA-N 450.513 3.700 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc(OCC)cc1 101118089 JGPNHNZHWDDLGL-OLFWJLLRSA-N 488.544 3.855 5 40 JHBB CCOC(=O)c1c(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CC)c2=N)sc2c1CCCC2 103113946 AKQXHAVKYRNLMD-UHFFFAOYSA-N 491.573 3.518 5 40 JHBB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2658810 VUGIJPNZJMYIPW-UHFFFAOYSA-N 478.844 3.932 5 40 JHBB O=C(c1ccccc1)N1CCCC[C@H]1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8753634 PQEKZTNHBDMRHE-UGKGYDQZSA-N 457.552 3.690 5 40 JHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 9644328 BWJMZCXGAMGRRU-UHFFFAOYSA-N 485.518 3.538 5 40 JHBB Cc1nc(CN2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cs1 14380751 WPFHTBSGEDWSNS-UHFFFAOYSA-N 497.543 3.939 5 40 JHBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C(C)C 223358425 WBPUTCFFSOBAEF-QGZVFWFLSA-N 477.583 3.987 5 40 JHBB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)c1C 408665185 ONZUTJUQKDKVMC-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409161571 VVIQFJZGAMDISL-LJQANCHMSA-N 468.539 3.879 5 40 JHBB CC[C@]1(c2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)CCC(=O)NC1=O 1647519 ZYEWDZIBJWUOAY-RUZDIDTESA-N 457.442 3.633 5 40 JHBB CCCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21 2449601 JZPKXPHMOKRWDN-UHFFFAOYSA-N 450.564 3.769 5 40 JHBB CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583182 YMWLVBPUSPWEKF-QGZVFWFLSA-N 472.502 3.553 5 40 JHBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18190139 FDRVSJNOHWSSMY-VABKMULXSA-N 493.447 3.802 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19868070 HSTYEJZCNNPLDP-UHFFFAOYSA-N 451.932 3.737 5 40 JHBB COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2C)C2CCCCC2)ccc1OCC(N)=O 22537490 QFIQCBBWDRTSJM-UHFFFAOYSA-N 455.511 3.751 5 40 JHBB O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24657777 PZVQIFMILCVWTF-RUZDIDTESA-N 485.544 3.880 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 205806469 BTJKCXUNYGGSNF-XDHOZWIPSA-N 498.517 3.840 5 40 JHBB 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2F)cc1 409061920 KACQSKBNHFXQHT-UHFFFAOYSA-N 457.483 3.872 5 40 JHBB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 6904305 ZUGFNCHNDWWBGB-KWMZMRFFSA-N 470.481 3.765 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc2ccccc12 409053283 BTDALXBDVWCFMQ-NLZIUFDSSA-N 499.548 3.860 5 40 JHBB O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9172864 BXXOLYLSABOFOP-UHFFFAOYSA-N 483.999 3.557 5 40 JHBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(OC(F)(F)F)cc1 12564393 GXQSLFCSZCCOBQ-UHFFFAOYSA-N 475.427 3.802 5 40 JHBB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12751304 QXSHCHYCHFVLQR-LJQANCHMSA-N 477.608 3.901 5 40 JHBB CCN(CC)C(=O)CSc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1N 21374652 XJBZKUIFVOIAOH-UHFFFAOYSA-N 469.592 3.504 5 40 JHBB O=C(O)c1cc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)ccc1O 95470784 VEAWNFFHYKUVKB-UHFFFAOYSA-N 457.192 3.715 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408690019 ZJEIMNNYOZKVPT-ORPRQENYSA-N 498.879 3.911 5 40 JHBB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1 2967837 GELMGNUVZMWMQV-HXUWFJFHSA-N 489.513 3.786 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9124992 LSDGAXIYAJBQJK-INIZCTEOSA-N 485.566 3.572 5 40 JHBB COc1ccc(/C=C/C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 12782587 JUNGTNJERIDNHM-ONNFQVAWSA-N 475.504 3.553 5 40 JHBB Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 17149157 YCVOBBSQDPJDTP-UHFFFAOYSA-N 466.498 3.975 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 101127278 CEFWHDCPWNQIKV-VJBWXMMDSA-N 475.457 3.663 5 40 JHBB CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103461051 QLOIBOOOXUQHLZ-SMHZHRAUSA-N 459.502 3.852 5 40 JHBB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1 408664222 ODTMYVTXOYEIKF-QGZVFWFLSA-N 499.479 3.971 5 40 JHBB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)[C@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1 408927992 ZHBROSLDSCOIHA-ZDUSSCGKSA-N 451.439 3.518 5 40 JHBB COc1cc2nc3ccc(NC(=S)N4CCN(c5ccccn5)CC4)cc3nc2cc1OC 409001828 WWYZJUSNYCLXGG-UHFFFAOYSA-N 460.563 3.714 5 40 JHBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 8831118 PLLLEKYAQMYVLJ-UHFFFAOYSA-N 471.564 3.785 5 40 JHBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)c5ccccc5c4=O)c3)CC2)cc1 9891894 QUIQJKFNBAUJMQ-UHFFFAOYSA-N 499.527 3.573 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20533156 WDKSHQXVVHSSAZ-XOEOCAAJSA-N 490.516 3.948 5 40 JHBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(c4ccccc4OC)CC3)nc21 28629285 QICGTKBEYSLAOE-UHFFFAOYSA-N 474.525 3.833 5 40 JHBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 138036217 PEMXMCGQBYVHHF-YCAMKHIRSA-N 465.465 3.993 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222777730 VIAKEDALTPQJOS-QGZVFWFLSA-N 457.527 3.623 5 40 JHBB CCOC(=O)c1cc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc([N+](=O)[O-])c1 1627547141 JQSARRYSXPKWGX-UHFFFAOYSA-N 455.854 3.887 5 40 JHBB O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 1858705 YETUVEYIZRQANT-UHFFFAOYSA-N 492.396 3.582 5 40 JHBB COC(=O)c1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(=O)OC)c1 8832875 CMNSDEYRSACUNH-UHFFFAOYSA-N 483.458 3.555 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 9612608 MVVIWMHSMBSORI-UHFFFAOYSA-N 485.484 3.639 5 40 JHBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1 22744448 NWWQCNCSUMRABW-CQSZACIVSA-N 486.594 3.995 5 40 JHBB O=C(c1cccnc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 35808816 SDLRNEKMDVIMAG-FCBCXNLDSA-N 454.486 3.898 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)c1 408666474 ZOBSQVALNHSQDV-UHFFFAOYSA-N 451.435 3.657 5 40 JHBB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148541 ZRTUTOZWCMJSMX-LJQANCHMSA-N 497.581 3.768 5 40 JHBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3413258 XUVBDUSOYYGNBX-UHFFFAOYSA-N 486.506 3.567 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103561652 BAWJXRHKMDLBLH-LWSSLDFYSA-N 471.513 3.996 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)cc1C 408928886 FRLDQDIAOGKAPB-FRKPEAEDSA-N 472.435 3.500 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1ccccc1 1884250 ZDVAZLFWZPVTQD-ZEQKJWHPSA-N 466.497 3.961 5 40 JHBB biogenic CCOc1ccc2nc(COC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)c3ccccc3)[n+]([O-])c2c1 1885420 AIMYDWOYVJGUPP-UHFFFAOYSA-N 473.441 3.763 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 2149492 IOFZUMYZTXNVLA-IGKIAQTJSA-N 496.523 3.970 5 40 JHBB biogenic CCCCCCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2c1=O 3430237 GGCZLOHBZNGGHR-UHFFFAOYSA-N 470.457 3.820 5 40 JHBB COc1cc2c(cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)oc1ccccc12 9493972 LUAYQXQDZHVJEA-UHFFFAOYSA-N 479.445 3.703 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 12894045 BJNBZRXQJYOMED-UHFFFAOYSA-N 476.942 3.718 5 40 JHBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 20528608 YBQFABDGTPOLJG-UHFFFAOYSA-N 474.945 3.960 5 40 JHBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537288 XOFCHMGADPUHNP-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2csc3ccccc23)CC1 29965564 FCVCHBMXULXDSO-UHFFFAOYSA-N 451.957 3.969 5 40 JHBB CCCn1/c(=N\C(=O)c2c(F)cccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820828 KMYFRQRNVPUKDE-HFTWOUSFSA-N 482.899 3.770 5 40 JHBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C(=O)O)o2)c1 408634194 RYDBOQIEWIZKAU-FRKPEAEDSA-N 475.435 3.594 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409183865 VVEFZWJEESZUKV-FRKPEAEDSA-N 477.882 3.946 5 40 JHBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 2148932 VHNGMPJSBOXGEO-JYFHCDHNSA-N 466.497 3.961 5 40 JHBB biogenic COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1COc2ccccc2O1 9540617 OYSJTKVIFXLOOV-MRXNPFEDSA-N 471.491 3.656 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223674809 FRRWCLSVPFGMLI-SFTDATJTSA-N 452.492 3.785 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408666081 ZWVJALMLULXWKB-VQTJNVASSA-N 481.892 3.830 5 40 JHBB Cc1cccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS(=O)(=O)C3)c1C 3009540 SEWMITZHMKXBOQ-UHFFFAOYSA-N 460.899 3.731 5 40 JHBB O=C(Nc1ccccc1C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl 13059368 YJQSUJPZURFKMU-UHFFFAOYSA-N 479.832 3.911 5 40 JHBB COCCNc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 22321250 UFNNLBNFKFIMLD-UHFFFAOYSA-N 481.578 3.735 5 40 JHBB COc1cc(COC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F 23297310 IUGNLHIHLRWFDM-INIZCTEOSA-N 484.477 3.800 5 40 JHBB CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 101475890 CSZJPPHABIOBLY-NKOJSYJKSA-N 459.502 3.852 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260941225 RSXIMYHDXDGUET-ZHRRBRCNSA-N 459.568 3.896 5 40 JHBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCC 408566825 PCZUPJAPJTWOGY-ITVLPCRDSA-N 490.354 3.815 5 40 JHBB Cc1ccc2nc(SCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[nH]c2c1 6013447 BSRLUGGJJNENQH-UHFFFAOYSA-N 489.560 3.800 5 40 JHBB COc1cc(C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c([N+](=O)[O-])cc1OC 9569547 HLXXASVPIMZDLD-UHFFFAOYSA-N 467.507 3.664 5 40 JHBB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 36085647 ZKGVBAGUWKRXME-SDUSCBPUSA-N 469.538 3.919 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 43578428 WDKSHQXVVHSSAZ-MTQWNXOMSA-N 490.516 3.948 5 40 JHBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101098600 WSWAHGRFVHWMMP-LJQANCHMSA-N 473.577 3.743 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]43)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 103537299 XEGAXJKTILVQBK-KUTDASGASA-N 455.829 3.562 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C(CC)CC 103629569 TWAJUDGBAQOXAN-JVCXMKTPSA-N 486.572 3.932 5 40 JHBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408650746 BNSBAWVQSLEAMI-CZAAIQMYSA-N 491.500 3.541 5 40 JHBB CCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409178140 GUBXJPKELJBZPS-UHFFFAOYSA-N 469.947 3.677 5 40 JHBB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409328453 VQGADARKRKNRPU-UHFFFAOYSA-N 457.512 3.833 5 40 JHBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2cc(C(=O)c3ccccc3O)cn2)cc1 9662319 JOKYJBOGEOVZEH-UHFFFAOYSA-N 494.485 3.527 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2ccccc2Cl)no1 9951486 IYCQFOOAWITMGJ-UHFFFAOYSA-N 464.887 3.662 5 40 JHBB Cc1nn(Cc2c(C(=O)Nc3ccc(Br)cc3F)noc2C)c(C)c1[N+](=O)[O-] 13961293 HGGABEYPSCJEPH-UHFFFAOYSA-N 452.240 3.907 5 40 JHBB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 16045582 LKWLCASWTCMQRD-HXUWFJFHSA-N 477.970 3.843 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 102960706 JMOOMEDXBBTHEC-NZQKXSOJSA-N 476.416 3.961 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1Cl 408584022 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CS(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 9439160 HKMRULDOTWQIDU-GFCCVEGCSA-N 466.566 3.649 5 40 JHBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 23658267 XTCUIXCDGCPSDI-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1 101209081 BNEXLFTYXKUVTR-HBMCJLEFSA-N 478.392 3.693 5 40 JHBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 8901396 CCIIZFNMERCAFY-UHFFFAOYSA-N 483.535 3.824 5 40 JHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 9508025 LVYOGKQQRASUJP-LBPRGKRZSA-N 494.426 3.721 5 40 JHBB Cc1cc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)n1-c1nccs1 13149104 LQIIDAXOFWUQCC-UHFFFAOYSA-N 498.546 3.778 5 40 JHBB COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 32115642 UDGKAPDPEUMSKR-UHFFFAOYSA-N 469.350 3.747 5 40 JHBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106756708 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O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCc1cc(=O)oc2ccc3ccccc3c12 3298019 IJZSXSABEGEUOB-UHFFFAOYSA-N 466.833 3.981 5 40 JHBB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 8948574 LIMAFZSMLLDRNG-JOCHJYFZSA-N 458.902 3.951 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 9245665 UXGJVFWQBGZVEQ-JLRUASKGSA-N 468.506 3.942 5 40 JHBB COC[C@H](C)n1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc2c1=O 9403222 WFJGNNYEOKRGCS-AWEZNQCLSA-N 472.523 3.560 5 40 JHBB COc1cc(CCNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c([N+](=O)[O-])cc1OC 10364833 BDNGOTNLHDSDMI-UHFFFAOYSA-N 468.485 3.788 5 40 JHBB Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 12788094 ZHPWQLKSWHHWKK-UHFFFAOYSA-N 461.522 3.712 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 12939994 VZMKNIKFZQPLHE-QGZVFWFLSA-N 474.587 3.641 5 40 JHBB COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13669023 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CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223239200 OZAOJBCLAJBTIF-VXKWHMMOSA-N 450.568 3.705 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408592835 OVFZEABLILVBRP-INIZCTEOSA-N 461.540 3.920 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cccc1[N+](=O)[O-] 9064553 XCWPWSSDIGFCPC-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB CCN1CCN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2C)CC1 11323868 CAHBNYAUFAGAMZ-UHFFFAOYSA-N 451.571 3.900 5 40 JHBB Cc1sc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)nc1-c1ccccc1 13857286 HSMGJLYCYGTQCG-QGZVFWFLSA-N 465.487 3.806 5 40 JHBB O=C(CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 21393062 FPVHBYKWOXXQHP-UHFFFAOYSA-N 457.840 3.813 5 40 JHBB CNc1ccc(C(=O)OCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)cc1[N+](=O)[O-] 23527069 LFAROBCYQNKNDU-NRFANRHFSA-N 478.461 3.773 5 40 JHBB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 169250180 YOIWHHDGVZQDGW-UHFFFAOYSA-N 453.520 3.590 5 40 JHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225125713 UTPRQGDOBNEZHQ-ROUUACIJSA-N 457.527 3.623 5 40 JHBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409181262 AKWSWYBBGFHAGC-UHFFFAOYSA-N 477.385 3.669 5 40 JHBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409183113 RIFMGEKGULHXBL-UHFFFAOYSA-N 477.385 3.635 5 40 JHBB Cc1ccccc1-n1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 2622587 HURFCTRIQMCVCF-UHFFFAOYSA-N 474.502 3.595 5 40 JHBB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9492293 CUDZRQUGSSIVOJ-OAHLLOKOSA-N 461.503 3.867 5 40 JHBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccccc1Br 9632520 SLBVFCKRSVFYSL-LLVKDONJSA-N 469.723 3.908 5 40 JHBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c([N+](=O)[O-])c2)C1 13097022 CORDXFATDDVSOU-TXEJJXNPSA-N 494.016 3.777 5 40 JHBB CCc1nn2c(=O)cc(COC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)nc2s1 21603334 MCBKGQMZWUVKHQ-UHFFFAOYSA-N 465.491 3.591 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 103558515 HUEUWSZIHWJRGY-SSUZURRFSA-N 493.519 3.906 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408659192 VSYBXJPFENTIKK-DKSSEZFCSA-N 483.908 3.910 5 40 JHBB COc1ccc2c(c1)c(C(=O)N1C[C@@H]3C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C3)cn2C(C)C 524730908 BQLHKNZYGRUJMK-JKSUJKDBSA-N 450.495 3.560 5 40 JHBB biogenic CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1 2254963 OERNLGRGZZYBCG-SFHVURJKSA-N 469.501 3.639 5 40 JHBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 9226701 PKAHBBAAJUNENL-KRWDZBQOSA-N 469.519 3.522 5 40 JHBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 9580225 KXNVJSARUKDUFY-UHFFFAOYSA-N 474.564 3.622 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12239351 UDLICKUAQFAMOC-PMACEKPBSA-N 491.903 3.705 5 40 JHBB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 27016800 QXLUTCWESDDCCI-NRFANRHFSA-N 460.446 3.600 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224177972 AKYCPJDDHYBRCJ-IBGZPJMESA-N 483.974 3.605 5 40 JHBB Cc1cc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)ccc1Oc1ccc([N+](=O)[O-])cc1 408651516 CMTWIBKURARMRL-IXEXMEJISA-N 451.431 3.619 5 40 JHBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 409093805 AFTPXBWDUOXXHA-VXLYETTFSA-N 487.490 3.686 5 40 JHBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409180237 VFGAQTJEXPKKRM-UHFFFAOYSA-N 477.385 3.635 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@@H](c4ccc([N+](=O)[O-])cc4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 1886046 FWCDVACSHKTJGD-SQHAQQRYSA-N 496.523 3.970 5 40 JHBB biogenic COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 9064790 WIFZVLXIQMLIEM-UHFFFAOYSA-N 464.931 3.992 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cc2)cc1[N+](=O)[O-] 9631574 UGZJTOYCQUURQM-NRFANRHFSA-N 481.486 3.944 5 40 JHBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 9640677 TZXTUHKWLVASFW-UHFFFAOYSA-N 496.457 3.584 5 40 JHBB O=C(c1ccc([N+](=O)[O-])s1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1 22997449 PINURGVJYIXCGN-UHFFFAOYSA-N 450.517 3.774 5 40 JHBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 89633477 DBELOEACZXTAJZ-DEOSSOPVSA-N 494.573 3.590 5 40 JHBB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)Nc2nnnn21 103419248 INLBSJUQLIQDSW-GOSISDBHSA-N 466.864 3.983 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)CCc1ccccc1 103628974 HJNHKGAFNVLXKX-BXVZCJGGSA-N 496.523 3.527 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 9662672 KYOJZVJTLPRNPL-UHFFFAOYSA-N 491.444 3.541 5 40 JHBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 10296371 PJXCFARANYNMDO-INIZCTEOSA-N 457.237 3.745 5 40 JHBB CCOC(=O)C1=C(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=O)N[C@@H]1c1cccs1 13147545 CRBWGHWWTNESHJ-HXUWFJFHSA-N 497.485 3.944 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13591828 SDLRNEKMDVIMAG-TUGCOKMYSA-N 454.486 3.898 5 40 JHBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])N2CCCC2)cc1 23744545 RKBTVPBRXWYFRY-QFIPXVFZSA-N 462.572 3.539 5 40 JHBB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 89633462 JXWISVARYZWZOC-XMMPIXPASA-N 494.573 3.590 5 40 JHBB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)C(=O)[C@H]12 100744781 XAIPPTIVYPTSJP-KPFBPEDLSA-N 482.876 3.990 5 40 JHBB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224677588 ORAFDIGFLVLMJP-HNNXBMFYSA-N 462.344 3.842 5 40 JHBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cccc1[N+](=O)[O-] 408561116 GRHCZDJZJVWKGK-UHFFFAOYSA-N 455.920 3.508 5 40 JHBB Cc1cc(=O)oc2cc(OCC=C3Oc4ccc([N+](=O)[O-])cc4[C@@H]3N3CCOCC3)ccc12 2049286291 XSQRMLHBCDBDOT-DEOSSOPVSA-N 450.447 3.738 5 40 JHBB O=C(O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2230262 HGERIPXNNFUNHH-UHFFFAOYSA-N 465.447 3.781 5 40 JHBB Cc1c([N+](=O)[O-])cnn1CCc1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2731193 FMIOIXYBSIMOMQ-UHFFFAOYSA-N 462.898 3.975 5 40 JHBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 9403210 PXZNFQCHERPSAT-UHFFFAOYSA-N 487.818 3.899 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13786691 ABYRMNMCPPHIFQ-HKBOAZHASA-N 460.402 3.554 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 32857897 OGIHJFHZBZMRLO-FQEVSTJZSA-N 472.929 3.668 5 40 JHBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)N(Cc1ccccc1)CC(F)(F)F 34887427 LQXFPDNFHKNULM-UHFFFAOYSA-N 487.482 3.856 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(OC)c1 101254859 HLTCSMOQGKPPNR-OLFWJLLRSA-N 488.544 3.540 5 40 JHBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)cc1 223166278 ALVSLCAYGWZIOG-PKTZIBPZSA-N 479.562 3.555 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223813212 BJMDWHORNLYYHI-GOSISDBHSA-N 469.538 3.767 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1Cl 408665319 DQLPFJWAOIZGLW-LLVKDONJSA-N 496.701 3.546 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c(C)cc1Br 408670405 PUJLAKJHAKVUHC-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680474 GHWCWZCDUHGROI-HZVDNRATSA-N 453.882 3.837 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269591 QAAOGBDCMMVCGA-UHFFFAOYSA-N 469.567 3.549 5 40 JHBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1OC 22257487 CMNROLUORAWFKU-UHFFFAOYSA-N 470.482 3.786 5 40 JHBB CCN(CC)C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 28294130 OKOKHGSMRURRIV-NSHDSACASA-N 487.753 3.537 5 40 JHBB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225172573 IPNXYNFUKBDWCA-KRWDZBQOSA-N 492.579 3.735 5 40 JHBB Cc1ccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 8715696 LTLIJUBYPFCADJ-KRWDZBQOSA-N 465.487 3.806 5 40 JHBB O=C(NCc1ccnc(N2CCCC2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12545862 SZDZCDCFBOLMCZ-UHFFFAOYSA-N 478.475 3.641 5 40 JHBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc(F)cc1 12583081 OACUZCDLDNJOHK-LJQANCHMSA-N 461.519 3.746 5 40 JHBB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 19856210 WPDDVGRQWAITQW-UHFFFAOYSA-N 496.545 3.569 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 32857895 OGIHJFHZBZMRLO-HXUWFJFHSA-N 472.929 3.668 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 35808765 AFPXBVCNGJEGMX-VAPDBKPJSA-N 457.486 3.979 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 101127275 CEFWHDCPWNQIKV-ZLNRFVROSA-N 475.457 3.663 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=C(C)C[C@H]2C1=O 408642131 DNMMXRDAMHHQHX-YPAWHYETSA-N 475.501 3.955 5 40 JHBB Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328513 KWWGEPOBLRDYGW-UHFFFAOYSA-N 453.524 3.912 5 40 JHBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(CC(=O)O)cc3)cc2[N+](=O)[O-])CC1 20153107 DCDGOIVYVOSEIY-UHFFFAOYSA-N 456.524 3.585 5 40 JHBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223734357 AJICOEPFYXBEDL-VWLOTQADSA-N 475.545 3.922 5 40 JHBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408685186 OXVAWFOPHUPTMX-POAQFYNOSA-N 463.490 3.565 5 40 JHBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408737723 OEOHBHPDOUNKCS-GOSISDBHSA-N 466.475 3.985 5 40 JHBB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2cnc3ccccc32)c2cccc([N+](=O)[O-])c2)cc1 4091089 XIEBRAYKEBQUAD-HXUWFJFHSA-N 466.519 3.509 5 40 JHBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 8831540 QPLAFFNNNNTSDI-UHFFFAOYSA-N 453.509 3.505 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cccc1[N+](=O)[O-] 8897827 WLOSTYWJVLQVIG-UHFFFAOYSA-N 493.545 3.585 5 40 JHBB O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1cccc([N+](=O)[O-])c1 8922158 KSVVJVBRAZZCDM-UHFFFAOYSA-N 466.402 3.552 5 40 JHBB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064687 QSZVYFRIYVEZST-UHFFFAOYSA-N 469.548 3.682 5 40 JHBB O=C(COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 9539709 TUVVWROBIHVHEF-UHFFFAOYSA-N 455.433 3.654 5 40 JHBB Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12800143 GMQLHTOGHGVWDT-UHFFFAOYSA-N 457.552 3.592 5 40 JHBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1 15391448 ZQFNYYDJWORIMK-UHFFFAOYSA-N 496.910 3.913 5 40 JHBB Cn1ccnc1C(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 60100072 WIBRVSRYXHHWSW-UHFFFAOYSA-N 459.428 3.905 5 40 JHBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OC(C)(C)C 107786988 FDMKDWLUZIKTFF-DHDCSXOGSA-N 487.465 3.643 5 40 JHBB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222614537 PUGKRANOMBHWOJ-GHTZIAJQSA-N 471.554 3.747 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 9191366 HJIMKDBJRTYDEA-CQSZACIVSA-N 467.931 3.686 5 40 JHBB CCn1c(SCC(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccs1 9545944 XAKZTJAHZXTIRO-UHFFFAOYSA-N 481.943 3.862 5 40 JHBB COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1nccn1C 17591353 SWBGAHVNUPSNSN-HXUWFJFHSA-N 473.555 3.615 5 40 JHBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22271671 XPIVISWLVYNGRW-JOCHJYFZSA-N 469.519 3.522 5 40 JHBB O=C(CCSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 32903223 MADJLNOPCAWWHE-UHFFFAOYSA-N 452.540 3.892 5 40 JHBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 108288850 UTIYSQSLXMJQSW-QHHAFSJGSA-N 478.244 3.676 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225171927 QURLSKNRLPFJPZ-KRWDZBQOSA-N 487.528 3.988 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 248273902 REYINSAEJLLHPS-LNRXMEIDSA-N 475.501 3.734 5 40 JHBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1 408650223 LYYBDGXXMCXYKR-UHFFFAOYSA-N 469.862 3.846 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408660042 WHDJSLYSFLPUFT-OLHXEVPXSA-N 499.523 3.667 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408690015 ZJEIMNNYOZKVPT-CFSSXQINSA-N 498.879 3.911 5 40 JHBB Cc1cccc2oc3cc(NCCCN(C)CCO)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9462114 FTOGEAMRVWXYEE-UHFFFAOYSA-N 457.530 3.975 5 40 JHBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 9489256 PVJUCSOYEJNSRU-UHFFFAOYSA-N 469.501 3.933 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2)CC1 9895723 UZRCSSSMUARSHM-OAQYLSRUSA-N 457.552 3.668 5 40 JHBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)cc1[N+](=O)[O-] 21762866 FPSZDQMUGACNLU-UHFFFAOYSA-N 470.379 3.546 5 40 JHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c(O)n2n1 23157632 UNZZDEWXHALRJA-IBGZPJMESA-N 450.524 3.625 5 40 JHBB COc1ccc(NC(=O)CCN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 26343349 HHTDSKCRHBUKEG-UHFFFAOYSA-N 481.578 3.873 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224697941 BIOOJALQBWVIMD-INIZCTEOSA-N 473.501 3.597 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408640176 AOSUTNXYMDIUGK-UHFFFAOYSA-N 463.833 3.785 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408640687 BMJGZYZVRZRGRQ-IQVOZAENSA-N 481.892 3.686 5 40 JHBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8832164 PAVZFRJFWMVVIE-UHFFFAOYSA-N 458.478 3.726 5 40 JHBB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9392139 KDLHUEIUPKQCFC-IBGZPJMESA-N 454.464 3.551 5 40 JHBB COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nccn1C 12550718 VKJRIRHYWLBIBA-KRWDZBQOSA-N 470.429 3.832 5 40 JHBB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 13112697 QXYJNVSABZBVJH-QGZVFWFLSA-N 487.578 3.514 5 40 JHBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 13857187 RLCNWXBCBHJUKV-UHFFFAOYSA-N 455.444 3.711 5 40 JHBB O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(I)cc2)cc1 17155719 KCPQTVLOVTYRNJ-OAHLLOKOSA-N 476.317 3.636 5 40 JHBB Cn1nnnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364919 IUTIPXHKWBELBS-UHFFFAOYSA-N 473.565 3.751 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 101095678 IIKLQEGSDUZIGC-SMIHKQSGSA-N 489.484 3.972 5 40 JHBB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408562153 NLRSHGMISBQLDH-UHFFFAOYSA-N 467.503 3.672 5 40 JHBB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9671214 QIVVCWMDIALVFI-UHFFFAOYSA-N 468.491 3.578 5 40 JHBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451345 YYEFLTVSQBGRQO-UHFFFAOYSA-N 486.575 3.983 5 40 JHBB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 12510517 GTRZDUORDPAQKA-UHFFFAOYSA-N 476.489 3.945 5 40 JHBB CCCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(N)n(CCCC)c(=O)[nH]c1=O 13010084 AXFDODYNXLCXNG-UHFFFAOYSA-N 469.498 3.534 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13816048 BYOKQPLVILKYTH-DEJKCJRPSA-N 472.526 3.809 5 40 JHBB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 23502241 QCGCQBDCVITFOJ-KRWDZBQOSA-N 455.511 3.943 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 26116383 QOPYGYFNHGWJTC-UHFFFAOYSA-N 465.553 3.752 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223671450 SFHKVYVQXZJOQO-FCHUYYIVSA-N 482.518 3.794 5 40 JHBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21 408535728 WCCKWWUSAAHLSH-IUXPMGMMSA-N 458.883 3.675 5 40 JHBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Br 408665511 MHFJCDNHBSMPPQ-UHFFFAOYSA-N 478.299 3.956 5 40 JHBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4)n3N)n2)cc1[N+](=O)[O-] 409150980 FQWJHTJJFDUWDD-UHFFFAOYSA-N 467.536 3.730 5 40 JHBB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9120661 UGYFLLQKTMIHDZ-UHFFFAOYSA-N 450.476 3.775 5 40 JHBB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)N(Cc1ccccc1F)C1CC1 12787328 ISFUCGDKIWIQAU-UHFFFAOYSA-N 495.960 3.979 5 40 JHBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20153102 SGGPGQCMHPAYRP-UHFFFAOYSA-N 456.524 3.965 5 40 JHBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2[N+](=O)[O-])cc1 32124924 XQIVHSFFLSUERK-MOSHPQCFSA-N 499.570 3.950 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1F 33743330 WPXBKCPOWASHRJ-CQSZACIVSA-N 486.529 3.876 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cccs1 101135346 LZOCWNUDZQIADE-QLYXXIJNSA-N 464.547 3.593 5 40 JHBB CCCCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2091645 ZSRQHBNJOLHOFB-JYFHCDHNSA-N 490.560 3.968 5 40 JHBB biogenic O=C1NC(=S)N(c2ccccc2Cl)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 9252820 SGHRLOKZQMRVFJ-AUSIDOKSSA-N 484.965 3.988 5 40 JHBB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)n1 9562367 JVVOANYGWYPFMF-UHFFFAOYSA-N 464.265 3.895 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2S[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16916669 JGLYBDZZEPNPNC-QHCPKHFHSA-N 496.570 3.602 5 40 JHBB CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCc1ccccc1[N+](=O)[O-] 22066390 ODHZCLLHYDWSIV-MRXNPFEDSA-N 461.323 3.948 5 40 JHBB O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 33532216 FMINODWDDJRDNL-QHCPKHFHSA-N 459.502 3.790 5 40 JHBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223667847 IJKYVRDEPLCOPT-NHCUHLMSSA-N 452.492 3.785 5 40 JHBB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 224935388 JNALTFWMLPQJNI-UHFFFAOYSA-N 474.366 3.807 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 409126379 OPRGGCIMVSAYPZ-IBGZPJMESA-N 486.529 3.720 5 40 JHBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 409304238 QODAYGOUNZLREX-TWGQIWQCSA-N 480.477 3.999 5 40 JHBB COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 2050348 BMYFLUKWOYNMQI-KRWDZBQOSA-N 472.376 3.617 5 40 JHBB Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 9465876 ZLPYNAHAIIJWSE-UHFFFAOYSA-N 463.317 3.681 5 40 JHBB COc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)ccc2c1 11122081 YWRWTMNLAVVUKX-UHFFFAOYSA-N 497.573 3.782 5 40 JHBB O=C1N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 16185267 OWKLQGXVSGXMJO-OAQYLSRUSA-N 464.503 3.797 5 40 JHBB O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)CC1 57233537 ZZOPMJVCBCOALN-UHFFFAOYSA-N 491.617 3.941 5 40 JHBB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)c([N+](=O)[O-])c2)CC1 89382739 FVSVPJAXACYUEA-UHFFFAOYSA-N 483.546 3.902 5 40 JHBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408648777 KFTDCVTZCXQKRN-RFVSGWPVSA-N 481.892 3.686 5 40 JHBB Cc1cc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 3486654 HIRMGYDWHRELFT-UHFFFAOYSA-N 495.517 3.974 5 40 JHBB COc1cccc(-c2csc(N3C[C@@H](C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3=O)n2)c1 9581270 GNWIPBDZSVHYQF-INIZCTEOSA-N 453.476 3.823 5 40 JHBB O=C1C[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccc(F)cc2N1 22193980 NURQEZBCXRLKIG-HNNXBMFYSA-N 466.391 3.527 5 40 JHBB O=C(CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 138727198 LUEBVFOUBSNOGF-UHFFFAOYSA-N 453.373 3.904 5 40 JHBB CCC1(CC)C[C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c2ccccc2O1 222737112 IXTDHIGOQKTEDJ-GOSISDBHSA-N 475.567 3.868 5 40 JHBB CCc1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2OC)cc1 409350359 RGKQBEIDEMSYJG-YRNVUSSQSA-N 466.450 3.555 5 40 JHBB COc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1886044 FWCDVACSHKTJGD-SHQCIBLASA-N 496.523 3.970 5 40 JHBB biogenic CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 35442691 XSJDIULODSAWCU-FIXSFTCYSA-N 483.613 3.652 5 40 JHBB biogenic,in-vitro O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(OC(F)(F)F)cc1 96594242 CZHYJJRXCRXWCP-LFIBNONCSA-N 481.408 3.960 5 40 JHBB CCCCn1/c(=N/C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102918732 IUDHXPFYUIVKMZ-RMLRFSFXSA-N 472.545 3.984 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 103537292 XEGAXJKTILVQBK-JZKQXPBHSA-N 455.829 3.562 5 40 JHBB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224304657 KFAIXPWIKNYJMR-SFHVURJKSA-N 463.918 3.579 5 40 JHBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408655559 DJDFZFXGVVQARC-UHFFFAOYSA-N 485.493 3.698 5 40 JHBB O=C1S[C@@H](Nc2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 2318158 WYNJIVXESDIIMY-CQSZACIVSA-N 469.260 3.833 5 40 JHBB O=[N+]([O-])c1cccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298160 SWTFNAWYKDRIPY-MRXNPFEDSA-N 457.237 3.745 5 40 JHBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15999082 XDZQKYCZRXQFDB-CBPXPLCBSA-N 455.426 3.586 5 40 JHBB CCn1c(CCn2nc([N+](=O)[O-])cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 20214393 JNDQGRMIXQRDFV-UHFFFAOYSA-N 484.369 3.991 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222817541 WTSOQGSHUCVCLG-HNNXBMFYSA-N 477.945 3.968 5 40 JHBB COc1ccc(CNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1OC 224822327 OTLVWNJSEBVFCP-UHFFFAOYSA-N 499.545 3.508 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccccc3)C(=O)[C@@H]2C1 408660210 WMTHFCMMEOKLPX-ORYQWCPZSA-N 461.474 3.565 5 40 JHBB COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O[C@H](C)C(=O)O 409246201 GJQMTQACJIHPQQ-HJPCULJESA-N 458.448 3.692 5 40 JHBB CCOC(=O)[C@]1(C)C(Br)=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 9089844 YHJWRPJDVNZNHZ-FQEVSTJZSA-N 460.284 3.982 5 40 JHBB Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742233 CELOGRHIQTVTGP-UHFFFAOYSA-N 463.541 3.610 5 40 JHBB CCCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101160798 FTFNDIGHHPHRBE-NFFVHWSESA-N 458.518 3.757 5 40 JHBB Cc1c(O[C@@H](C)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc2c1oc(=O)c1ccccc12 137961442 GXTFVQZVTBUXLF-GBESFXJTSA-N 470.525 3.830 5 40 JHBB C[C@H](CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O)c1ccccc1 224936102 WIPIMMXSVKCXHQ-OAHLLOKOSA-N 453.948 3.714 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1C 408559135 VSWOKSXENGLOHY-UHFFFAOYSA-N 461.540 3.650 5 40 JHBB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 1770480 MLPHHJSRWUHCTK-UHFFFAOYSA-N 455.477 3.653 5 40 JHBB C[C@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1 5807961 JKIZXGSZFOUAAJ-NSOVKSMOSA-N 474.686 3.752 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCc3ccccc3)C2=O)[C@@H]1c1ccccc1 9452177 AZKYTBZECQIAGU-WNCULLNHSA-N 484.512 3.636 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C[C@H]1CCCO1 12494815 KKOHCFYUWGVJQM-CRAIPNDOSA-N 468.539 3.855 5 40 JHBB CCOc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])cc1OC 12993457 DCLWNEMKJYMBLG-UHFFFAOYSA-N 458.496 3.701 5 40 JHBB CCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 58160386 ZTCQIUCTPOHIJT-UHFFFAOYSA-N 463.332 3.517 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223655584 KOTYFXSSFKZFMB-NRFANRHFSA-N 491.610 3.941 5 40 JHBB CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 10021779 ALWDWYIFPFRNAD-UHFFFAOYSA-N 475.567 3.585 5 40 JHBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C 13129227 SUVPEJRCMBHKGD-UHFFFAOYSA-N 457.483 3.746 5 40 JHBB CCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1 16700023 XRWXSKHXWMWNMM-DEDYPNTBSA-N 460.471 3.933 5 40 JHBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181955 WBCNNCQGMFGFOQ-FDDCHVKYSA-N 486.619 3.887 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(Cl)cc1 103628053 OXPYOCHVEDDBKL-MEFGMAGPSA-N 464.909 3.801 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408648685 KBUIZDBPMLHJBW-LJHODMEESA-N 483.908 3.910 5 40 JHBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 409242455 VCWQSAZRXJQTCX-DEDYPNTBSA-N 490.472 3.957 5 40 JHBB COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)c1 409272808 SMKPJKCXLVEZFW-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCc2cc(=O)oc3c(C)c(C)ccc23)c([N+](=O)[O-])c1 9129363 VOQKCMDBCLNGNH-UHFFFAOYSA-N 460.508 3.928 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102738666 IIKLQEGSDUZIGC-TZRRMPRUSA-N 489.484 3.972 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408650749 BNSBAWVQSLEAMI-ORYQWCPZSA-N 491.500 3.541 5 40 JHBB NCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 9113803 TWDFDVIVXTVFIZ-UHFFFAOYSA-N 469.346 3.546 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 9244373 SGGDDFVLESAOHC-JBXUNAHCSA-N 479.492 3.863 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 12640485 OFQFDXJDMMCLGA-UHFFFAOYSA-N 462.432 3.942 5 40 JHBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 22715736 WGRRPYDZOVGFHN-UHFFFAOYSA-N 470.379 3.546 5 40 JHBB CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)CC(=O)Nc1c(Cl)cccc1Cl 24988188 HTLARJGZJNDMFW-UHFFFAOYSA-N 483.308 3.572 5 40 JHBB C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 100744496 SNQNQZOEFKLICC-VHKYSDTDSA-N 450.447 3.560 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408640052 ADWFNAZDCJBGIP-IQVOZAENSA-N 481.892 3.686 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408668957 RMNMGUVIPUTFME-MAODMQOUSA-N 491.500 3.541 5 40 JHBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)C(C)(C)C 409176919 AYHOWVPJDFZGBB-UHFFFAOYSA-N 474.853 3.829 5 40 JHBB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(Br)ccc21 8920443 XEYRVXKOAZSNKE-NRFANRHFSA-N 477.311 3.973 5 40 JHBB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 9630832 JZKYFNXTJLPVMT-UHFFFAOYSA-N 490.534 3.772 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9833891 HSHCANVGBMXDMS-ACJLOTCBSA-N 456.430 3.843 5 40 JHBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21004243 KYGOCZBJBSRXHJ-UHFFFAOYSA-N 486.572 3.979 5 40 JHBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)o1 108988668 OSANCLKNPSGJSA-NDENLUEZSA-N 477.429 3.646 5 40 JHBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 169703573 SWDHZKXTZGDMIV-WFXMLNOXSA-N 475.379 3.959 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCCC1 205859624 SSSCWBURDZMJHH-YBFXNURJSA-N 498.473 3.954 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1C 408556418 IHXSVGXLMHOSTM-QGZVFWFLSA-N 461.540 3.650 5 40 JHBB CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1[N+](=O)[O-] 1105797 CXIGKBZHAOPYRS-JOCHJYFZSA-N 477.477 3.647 5 40 JHBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 19171215 RJAZDUONLNAYOO-ONBPZOJHSA-N 484.512 3.666 5 40 JHBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 20006397 VKESBVGKKITVCU-FQEVSTJZSA-N 489.937 3.785 5 40 JHBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181959 WBCNNCQGMFGFOQ-JPYJTQIMSA-N 486.619 3.887 5 40 JHBB CCN(CC)C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 28294129 OKOKHGSMRURRIV-LLVKDONJSA-N 487.753 3.537 5 40 JHBB COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 62572116 MHHLSTSCBZIMKZ-UHFFFAOYSA-N 483.553 3.722 5 40 JHBB O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F 98003807 YPRRFXPETKMPCU-VSERLBFKSA-N 453.325 3.955 5 40 JHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 107823210 JWYSQIMZCPWHIY-VQHVLOKHSA-N 454.395 3.996 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 223710956 UYDFEHVWQIGETB-UHFFFAOYSA-N 455.920 3.750 5 40 JHBB O=C(Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1Cl 225535231 XVAAKOQJQCYEKI-UHFFFAOYSA-N 474.307 3.806 5 40 JHBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2OC)cc1 409318027 UKMAKZCGHGTNRM-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1nnc(-c2ccccc2)o1 3450101 NHVXQNQPSAVOLF-QGZVFWFLSA-N 490.925 3.893 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O 9129376 FVCCLCFGVHSKBQ-HYBUGGRVSA-N 450.495 3.642 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O 10434122 QVPJGYKEVSVVCA-UHFFFAOYSA-N 467.547 3.898 5 40 JHBB COc1ccccc1[C@H](c1nnnn1CCC(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505359 VUBWYUCGJCTMOB-HSZRJFAPSA-N 465.558 3.548 5 40 JHBB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 13856373 WHTIDCHHOSZRDG-LJQANCHMSA-N 467.547 3.928 5 40 JHBB CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 14273750 XLRLFUGBIBFDSB-UHFFFAOYSA-N 497.621 3.821 5 40 JHBB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)nc(S)n1c3ccccc3nc21 15953230 QYJWKZILKVHCOR-UHFFFAOYSA-N 482.613 3.876 5 40 JHBB COc1ccc(CCn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4cccc(C)c4nc32)cc1 101283511 GZIZSZTYOURXLV-UHFFFAOYSA-N 485.588 3.751 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106770217 RCDKLGOSNIKVSI-UNOMPAQXSA-N 498.517 3.840 5 40 JHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCN(CC(=O)N2CCCC2)CC1 24757652 LEIHSQCPZRTCTH-XMMPIXPASA-N 499.999 3.558 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccccc1 100820981 WNMOYOGNONVXHV-ZXPTYKNPSA-N 492.535 3.810 5 40 JHBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 409129082 IPJPFKGPHZCZHO-UHFFFAOYSA-N 485.518 3.836 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O 409350467 RWRAOLBDCPHCPK-RGVLZGJSSA-N 470.459 3.838 5 40 JHBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 13633038 QWWQVCQVSAUCRV-UHFFFAOYSA-N 465.337 3.701 5 40 JHBB Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 16311741 AETPTRLRERDMQZ-UHFFFAOYSA-N 458.478 3.726 5 40 JHBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253580 KUGRADVDQIVAAE-UHFFFAOYSA-N 485.518 3.831 5 40 JHBB CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C(=O)O 59487140 VKIGNVXGHQZJJY-UHFFFAOYSA-N 462.370 3.811 5 40 JHBB 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CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2c1CCCC2 3428371 HRYZHSOFCIVYOV-UHFFFAOYSA-N 492.506 3.525 5 40 JHBB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc(C)c1CC 8685313 WYSXQXPBMHKBCV-UHFFFAOYSA-N 480.495 3.517 5 40 JHBB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3ccccc3[N+](=O)[O-])scc12 9381504 SPPBXHUJEKFUBO-UHFFFAOYSA-N 482.449 3.924 5 40 JHBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 14271949 DXGYGLANFGQNIT-UHFFFAOYSA-N 459.890 3.719 5 40 JHBB CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16575675 OXDCNPRVRNXGJF-UHFFFAOYSA-N 462.959 3.872 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1 19929359 JOJPOMGNTAEPQQ-UHFFFAOYSA-N 454.512 3.871 5 40 JHBB CCN(CC)C(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 28294137 HFXMXXHKQUVZGZ-GFCCVEGCSA-N 472.782 3.638 5 40 JHBB CCCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102811268 PLJZHTRWYNZFFU-QLYXXIJNSA-N 464.547 3.819 5 40 JHBB 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Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1C 408665989 ZUNHEPXHFJKXQS-POCHDABASA-N 475.501 3.649 5 40 JHBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409342916 FXQBFRXLBLFIDJ-YWEYNIOJSA-N 485.365 3.974 5 40 JHBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)o1 2747243 WFEWMOIMKVJQIO-KRWDZBQOSA-N 457.240 3.862 5 40 JHBB Cc1c(NS(=O)(=O)c2ccc(N(C)C3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8686659 BAYNTGHSPRWRGK-UHFFFAOYSA-N 499.593 3.962 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 9510078 WRSRYSHWBAPPMP-UHFFFAOYSA-N 497.957 3.691 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 12995892 XRGWZGLBPQXMPL-UHFFFAOYSA-N 471.560 3.778 5 40 JHBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 16399792 QXORLRUTFZREEK-UHFFFAOYSA-N 454.430 3.577 5 40 JHBB Cc1ccc(-c2csc3nc4c5ccccc5c(N5CCN(CCO)CC5)nn4c(=O)c23)cc1 19902838 XGWHTXHWJGRXHS-UHFFFAOYSA-N 471.586 3.547 5 40 JHBB COc1ccc2sc(N(CCN3CCOCC3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2c1 22998350 KRMXMBKSMSWKBB-VMPITWQZSA-N 468.535 3.592 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc(C)c1 101176905 GFRCJQZFNTVXML-OLFWJLLRSA-N 482.496 3.517 5 40 JHBB CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223872915 TUNCJQFKKQRILA-KRWDZBQOSA-N 475.552 3.605 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408688906 XCQOJYQXSPKCMS-ROUUACIJSA-N 486.868 3.889 5 40 JHBB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144896 OOBBZZGCEQMQKP-INIZCTEOSA-N 489.583 3.521 5 40 JHBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1 3117625 YITXDUPBSMZHAI-UHFFFAOYSA-N 487.291 3.716 5 40 JHBB CCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4900627 CMSFYVBZYCOCRI-UHFFFAOYSA-N 459.455 3.619 5 40 JHBB Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4n5nc(C)nc5c5ccccc5n34)CC2)c1 9860218 LGBBTVXEMGPCTQ-UHFFFAOYSA-N 482.592 3.522 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13591743 AFPXBVCNGJEGMX-UVWWXKGLSA-N 457.486 3.979 5 40 JHBB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 33410680 MBRYVARXVRRTKS-NSHDSACASA-N 492.920 3.738 5 40 JHBB COc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566858 POMWKCYUQMHMSG-AQZFEABFSA-N 488.338 3.521 5 40 JHBB Cc1cc([N+](=O)[O-])nn1CCc1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2730818 FXUNEORPNJGDOF-UHFFFAOYSA-N 462.898 3.975 5 40 JHBB COc1ccccc1N(CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1)C1=NS(=O)(=O)c2ccccc21 3583452 CHILATWSXCMIEL-UHFFFAOYSA-N 495.513 3.724 5 40 JHBB COc1ccc2cc(COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c(Cl)nc2c1 11674214 JCDULKODWRFIHM-UHFFFAOYSA-N 450.856 3.566 5 40 JHBB CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O 20095879 MTZBQEHUCMPFPF-UHFFFAOYSA-N 471.473 3.959 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646320 IRTQKSXCKTTXMA-VUEDXXQZSA-N 481.892 3.519 5 40 JHBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409136293 YIIPLZNUHRORKB-VCHYOVAHSA-N 458.448 3.693 5 40 JHBB C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 8432795 NZPXTGXZYJGVNK-SBOPJIEZSA-N 464.478 3.677 5 40 JHBB Cc1ccccc1-n1nnnc1Sc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 9119455 XETWSUABPIPHDG-UHFFFAOYSA-N 468.520 3.831 5 40 JHBB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 13563378 POVNYKWTLKQLQK-OAQYLSRUSA-N 479.558 3.901 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 14135624 SBADUNIQXJDBBW-UHFFFAOYSA-N 457.483 3.872 5 40 JHBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408646310 IQXIFVZGTFDABB-BVMWXJQXSA-N 475.501 3.563 5 40 JHBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1[N+](=O)[O-] 408671102 SRNRMYPNPMUSKH-LBPRGKRZSA-N 466.277 3.745 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408679815 FJBZOHDKRSLKMQ-CPLUKWAASA-N 453.882 3.837 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC 409228084 ZVXQZLLTUSBAOU-CAOOACKPSA-N 477.882 3.940 5 40 JHBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409368395 UEHDZVSOJJVAEL-ISQHLFTMSA-N 459.389 3.519 5 40 JHBB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1 9127932 XWPAYEILPOBRNB-LIRRHRJNSA-N 461.902 3.881 5 40 JHBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9466919 IKBOMELBFRSCJL-HXUWFJFHSA-N 477.864 3.929 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1Cl 9668648 SXJJCRDGLVAYES-CQSZACIVSA-N 467.931 3.605 5 40 JHBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 10370537 KKMJECWPFSGXPA-UHFFFAOYSA-N 455.920 3.750 5 40 JHBB C[C@H](OC(=O)c1ccccc1SCC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 17183885 GDBONTKJJLWSHM-LBPRGKRZSA-N 465.915 3.613 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408655856 RYLDUGRGBDIXHN-IAGOWNOFSA-N 469.881 3.664 5 40 JHBB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409153735 MWDBJNXKWCWMPK-LJQANCHMSA-N 468.539 3.581 5 40 JHBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)cc1 8628158 ONKHWZVQCUYVOK-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 9743810 HOTWXGWICCQTCT-UHFFFAOYSA-N 460.497 3.830 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 12805032 XTGHEOUNKHAPHT-UHFFFAOYSA-N 461.430 3.661 5 40 JHBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12918873 BQWYQYYGEYKHSI-UHFFFAOYSA-N 493.900 3.794 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CC[C@@H](N2CCCC2)C1 71874897 IOYWENPZCOFSFK-OAHLLOKOSA-N 450.948 3.724 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1cccc(C)c1 102918779 GONFOGDFQKXGAA-RMLRFSFXSA-N 472.545 3.840 5 40 JHBB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103461046 QLOIBOOOXUQHLZ-FQRRRRRDSA-N 459.502 3.852 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408649569 LJLCUBLETKORIN-FRMGNDQPSA-N 493.516 3.653 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685465 PNFRDCFYGSNLHQ-IQGAEYHTSA-N 498.333 3.946 5 40 JHBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc2ccccc12 409037474 NRPQJYGIPGNBSX-NLZIUFDSSA-N 499.548 3.860 5 40 JHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 9034118 XDEADLICNLNGPF-HNNXBMFYSA-N 467.499 3.536 5 40 JHBB biogenic Cc1sc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)nc1-c1ccccc1 13857285 HSMGJLYCYGTQCG-KRWDZBQOSA-N 465.487 3.806 5 40 JHBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 14273388 NQYHHVSAWLKLJI-UHFFFAOYSA-N 465.554 3.752 5 40 JHBB CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)C 16767672 HBKQNFSLXRLZBE-INIZCTEOSA-N 478.523 3.553 5 40 JHBB O=[N+]([O-])c1ccc(N2N=C3c4ccccc4C(Cl)=NN3[C@H]3CCCC[C@]32N2CCOCC2)cc1 20028287 CTTQAZGSWYRPNV-XUZZJYLKSA-N 480.956 3.964 5 40 JHBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 21998850 OQFXXKPAMNXGFM-UHFFFAOYSA-N 488.243 3.855 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(F)c(F)c1 101834434 HNOPCSNKHZBIGR-IADYIPOJSA-N 480.471 3.501 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1c(F)cccc1Cl 102920999 VNGVEHGECCNTCN-SGWCAAJKSA-N 482.899 3.940 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 408641648 CWZJZWBZRJULBT-IBGZPJMESA-N 488.452 3.593 5 40 JHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2112648 QUKUWAWACFICTC-QFIPXVFZSA-N 456.454 3.618 5 40 JHBB biogenic CN[C@@H]1C[C@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O 100384706 PBCZSGKMGDDXIJ-QTKDHMKNSA-N 482.540 3.845 5 40 JHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 216317748 IDJWISVSEVKGGE-UHFFFAOYSA-N 482.356 3.538 5 40 JHBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408657138 GEXWYDNPXVLNIS-XMCHAPAWSA-N 479.489 3.624 5 40 JHBB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409334106 RSXFGBXWPVEGRQ-NRFANRHFSA-N 486.550 3.515 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1O 409343713 HWPAUQMSQPWGDL-RQZCQDPDSA-N 457.464 3.601 5 40 JHBB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 9090605 GOVRMJCIINQCRP-KRWDZBQOSA-N 457.430 3.796 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@H]32)cc1 9111478 WTXABRIVQCVUTO-VPBXCIAMSA-N 494.507 3.932 5 40 JHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1Br 95347368 ZUGMJLXHFYFDCQ-UHFFFAOYSA-N 463.313 3.833 5 40 JHBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc([N+](=O)[O-])ccc21 100821188 JMMQWACNUOTGOV-FCQUAONHSA-N 488.591 3.937 5 40 JHBB Cc1c(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862645 QESFVCKIGAMBQJ-UHFFFAOYSA-N 483.546 3.678 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225486216 GQVSKZVTNNOHKR-XLIONFOSSA-N 457.527 3.704 5 40 JHBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)n2nnc3ccccc32)cc1 248249162 OGWHSRIFGMCRDG-ZFFYZDHPSA-N 467.485 3.793 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408654298 QJQSAALNMUBHEG-PEYKTXOXSA-N 475.501 3.729 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409390078 IZYAQWYAXATDFO-UHFFFAOYSA-N 459.455 3.861 5 40 JHBB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9639836 RDDPWOTWRKZGRZ-UHFFFAOYSA-N 483.535 3.742 5 40 JHBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 14271014 RFQMKGMZXZTABK-UHFFFAOYSA-N 459.484 3.629 5 40 JHBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(C(C)(C)C)C2=O 102794053 FSYNNGJVBQNMLP-YPCHTBEXSA-N 468.554 3.788 5 40 JHBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 103530732 WEPDJTNPXHRBCG-MYLBCWQPSA-N 471.391 3.788 5 40 JHBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC 408570203 ZTTHTBLDOUQSQL-UPNLOYSTSA-N 490.354 3.768 5 40 JHBB CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 409315656 WHQMJSLZMJYTEX-UXBLZVDNSA-N 466.450 3.691 5 40 JHBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C(C)(C)C)cc1 9955207 RQMOPBOFCOZNHP-MRXNPFEDSA-N 455.511 3.913 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 19928868 CDSSXRBSSFBUDO-UHFFFAOYSA-N 457.512 3.930 5 40 JHBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22714135 FKKIGTVMBRRPNW-UHFFFAOYSA-N 477.955 3.821 5 40 JHBB COc1cc(CNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])ccc1OCc1cccnc1 31711254 ISGJFEZDZKTSDP-UHFFFAOYSA-N 483.477 3.533 5 40 JHBB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 40149398 CQWZMVCMCVDNDP-NSHDSACASA-N 492.863 3.792 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 102742419 GOQVYQHWNBCKBV-WXFUMESZSA-N 489.484 3.659 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 2628135 MUZAVBDMFIUSMI-UHFFFAOYSA-N 499.501 3.508 5 40 JHBB CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2 12522549 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O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 409213027 RXEUGNNJLOVZCF-UDWIEESQSA-N 490.447 3.844 5 40 JHBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409238784 LFHGIWZZDVBMQB-FYJGNVAPSA-N 487.472 3.876 5 40 JHBB CCOc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)cc1 9347661 MQZFSOVLVACKSQ-UHFFFAOYSA-N 479.591 3.995 5 40 JHBB COCCNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 12523306 NPCPLWRNPLMSJO-UHFFFAOYSA-N 467.522 3.892 5 40 JHBB Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 12747928 YNVJURPVWISINH-UHFFFAOYSA-N 471.560 3.778 5 40 JHBB CCN1CCN(c2cc(N3CCN(C(=O)c4c(F)cccc4F)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 15021654 WNOGZYWMPDKDOF-INIZCTEOSA-N 491.514 3.505 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18037001 HVSLJCNNKSPPCA-QHAWAJNXSA-N 460.402 3.554 5 40 JHBB O=C(NCc1ccc(Cn2cccn2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26394524 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491.547 3.741 5 40 JHBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064933 MVZXDUSXRXCMEN-UHFFFAOYSA-N 471.322 3.571 5 40 JHBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCNCC1)cc1oc3ccccc3[nH]c12 101028818 ZKMIVOLXJXJFTC-UHFFFAOYSA-N 454.530 3.648 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101099461 VDAKYGSZMPGTIK-UHFFFAOYSA-N 485.494 3.694 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 260949370 WXXWBQPPBPBOPQ-QGZVFWFLSA-N 477.583 3.550 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 409138091 ZUDMXOGYNQUZHH-KKSFZXQISA-N 496.593 3.820 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409165595 ABCRMZYALCNDED-OVCLIPMQSA-N 463.855 3.637 5 40 JHBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nc(C)n1 1770349 MUTUMYZUFVBDOL-UHFFFAOYSA-N 461.887 3.708 5 40 JHBB Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c2ccccc2c1=O 2212077 YRPXIXHQKHCCNH-UHFFFAOYSA-N 485.500 3.598 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NC(C)C)cc3c3ccnc2c31 8792337 GYAFUFZMHGOBRF-CQSZACIVSA-N 459.502 3.901 5 40 JHBB biogenic Cc1onc(C(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1Cn1cc([N+](=O)[O-])cn1 22712208 XXGVPJVHPUINLZ-UHFFFAOYSA-N 476.280 3.940 5 40 JHBB O=C(c1ccc([N+](=O)[O-])o1)N(CCCN1CCOCC1)c1nc2ccc(Cl)cc2s1 22997669 IPELXGHVVJFQQS-UHFFFAOYSA-N 450.904 3.820 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)CC(C)C 103629689 CVQNGTAYMSJTKW-GNVQSUKOSA-N 472.545 3.542 5 40 JHBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)cc1 223166217 ALVSLCAYGWZIOG-DHIUTWEWSA-N 479.562 3.555 5 40 JHBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 408561144 QYHPZSNWJREUHV-UHFFFAOYSA-N 467.931 3.605 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 408576901 YQEUSFFYTOJGHT-UHFFFAOYSA-N 469.538 3.797 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408678787 DAWVORHONRVEDX-HDICACEKSA-N 484.852 3.665 5 40 JHBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409179414 MZNLRELPMAYZDY-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409348170 OAZUAGZUDDKAJI-GFCCVEGCSA-N 474.930 3.599 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccccc1Oc1ccccc1 8826449 YADAPTPFNHOBMT-UHFFFAOYSA-N 451.435 3.587 5 40 JHBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 10128417 ZISOKDDAUJDGJF-NRFANRHFSA-N 453.520 3.740 5 40 JHBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 224199410 BUIFTVRZFZTRNL-HKOYGPOVSA-N 495.557 3.581 5 40 JHBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 248129906 WTXABRIVQCVUTO-ROHNOIKCSA-N 494.507 3.932 5 40 JHBB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 408559761 YQPGRKQSIJQSSA-UHFFFAOYSA-N 481.958 3.995 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c([N+](=O)[O-])c1 408575527 VLHKXDNTLUFHOC-UHFFFAOYSA-N 494.460 3.902 5 40 JHBB COCCn1c(-c2cccc(OC)c2)nc2oc3ccc(Br)cc3c(=O)c2c1=O 2223393 YSXNNWBQTWOLJS-UHFFFAOYSA-N 457.280 3.587 5 40 JHBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(C(=O)c2ccco2)CC1 8877879 CJFVMVCLJZICAF-UHFFFAOYSA-N 476.492 3.783 5 40 JHBB biogenic O=C(Cn1nc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCCCC1 9191245 HHDKLAQSXQMDRK-UHFFFAOYSA-N 475.549 3.975 5 40 JHBB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)c1 9540068 INFDFQWUFSZKIE-OUKQBFOZSA-N 489.513 3.747 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1ccc(CO)o1 20153329 AMIUITQFGYGWFR-UHFFFAOYSA-N 496.545 3.619 5 40 JHBB CCn1c(COc2ccc([N+](=O)[O-])c(C)c2)nnc1SCC(=O)Nc1ccc(OC)cc1 20214528 RFEWYVSAAWIWDT-UHFFFAOYSA-N 457.512 3.833 5 40 JHBB O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)c1ccccc1 24830810 UBOPEIXCECCFLK-UHFFFAOYSA-N 458.518 3.977 5 40 JHBB CCCn1/c(=N\C(=O)c2cc3ccccc3o2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103001448 GVWMTLRMZYFISA-NFFVHWSESA-N 470.485 3.723 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205868416 XVUPGHSWRGNERB-FYJGNVAPSA-N 497.529 3.841 5 40 JHBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 408573937 FWRYPTNUCPBPPM-UHFFFAOYSA-N 471.491 3.974 5 40 JHBB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408639754 YPYHAFQRERZETH-IBGZPJMESA-N 482.489 3.721 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408676638 BBOVRRAOSBTFCT-HZVDNRATSA-N 453.882 3.837 5 40 JHBB COc1cccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)c1 8715723 NHGQAAXWCSIZEV-MRXNPFEDSA-N 481.486 3.506 5 40 JHBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20153147 BRSCRIKOPHZAML-UHFFFAOYSA-N 496.545 3.619 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1Sc2nc(O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]21 32594617 QUNSVPWAELURHX-QLFBSQMISA-N 455.473 3.537 5 40 JHBB CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 33776646 TZOHKCVDXVTFPI-UHFFFAOYSA-N 468.554 3.573 5 40 JHBB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286295 STPVLJBXGWJJOT-HSZRJFAPSA-N 462.506 3.555 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408679348 DUTDGQUMTYENRB-IQGAEYHTSA-N 451.866 3.613 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 409138090 ZUDMXOGYNQUZHH-IIBYNOLFSA-N 496.593 3.820 5 40 JHBB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)c1 3309192 GHSINUGFPHEMTE-OAQYLSRUSA-N 484.486 3.544 5 40 JHBB C[C@@H]1Cc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(Cc3ccccc3)c(=O)c2S1 11726606 PPYMNALJHFQLMV-CQSZACIVSA-N 468.560 3.967 5 40 JHBB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12557452 IMKSELRPAZOVFP-GOSISDBHSA-N 452.511 3.746 5 40 JHBB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 19867731 CNZNEKLZWRJLNW-UHFFFAOYSA-N 451.932 3.737 5 40 JHBB Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1Br 62399583 BTRKYHKIDKLMQI-UHFFFAOYSA-N 484.354 3.975 5 40 JHBB CC[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-] 107931655 SEJIRDKCJGZEGU-SHLUWWQESA-N 477.857 3.898 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccco4)cc3c3ccnc2c31 8792273 QUZPKRMJNVBCNA-UHFFFAOYSA-N 483.480 3.897 5 40 JHBB biogenic C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9562865 HBJPTYLOCBJIST-ZDUSSCGKSA-N 475.504 3.641 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccc(F)cc12 13606960 HPRJXULVRAQMKH-KXVHNFKESA-N 489.459 3.838 5 40 JHBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 33408457 SLSKUFUNSCUENG-CYBMUJFWSA-N 488.957 3.907 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36311787 BYOKQPLVILKYTH-HXKBJWFLSA-N 472.526 3.809 5 40 JHBB COC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619175 CJWSPOVWGOEWFT-UHFFFAOYSA-N 466.479 3.923 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC(Nc2ccc(F)cc2)CC1 40158238 ZGVCVXWOBAEGTD-UHFFFAOYSA-N 462.547 3.989 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103462261 ZVLKSWDBHGRLPT-SSGKUCQKSA-N 459.502 3.853 5 40 JHBB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 223137555 WPHDCMQLQRMLIA-HNAYVOBHSA-N 463.556 3.588 5 40 JHBB O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccc([N+](=O)[O-])cc5)CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]64 226047039 DQSHVYJZUYBCIX-BHYZMEMNSA-N 470.549 3.716 5 40 JHBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)c([N+](=O)[O-])c1 408573848 OTJCJANTZHTZQM-UHFFFAOYSA-N 469.538 3.931 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408658971 VJCYSWWBHJMFAK-VQTJNVASSA-N 481.892 3.830 5 40 JHBB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1F 409201393 MQUPAPBLJBTWSZ-LPYMAVHISA-N 490.447 3.844 5 40 JHBB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 3220416 VJRHQYSCCFUOME-UHFFFAOYSA-N 478.848 3.743 5 40 JHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 8449395 RQDQODUHRLLFHB-UHFFFAOYSA-N 494.372 3.703 5 40 JHBB Cc1c(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 8687106 ISNDZBHOIDJLRT-AWEZNQCLSA-N 463.498 3.909 5 40 JHBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1cccnc1 9860233 VCDIPIHVIZPMDF-UHFFFAOYSA-N 462.517 3.626 5 40 JHBB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C 13129252 INTMYCICSCEZAK-UHFFFAOYSA-N 457.527 3.936 5 40 JHBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17051347 SZVWIBQKEDTMQR-UHFFFAOYSA-N 459.911 3.548 5 40 JHBB Cc1onc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)c1Cn1cc([N+](=O)[O-])cn1 22712215 KPEFPRZUUMMTQW-UHFFFAOYSA-N 476.280 3.940 5 40 JHBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)[C@@H]12 409179764 UVRDSUDHKGEIHV-QQNJPBSNSA-N 456.429 3.874 5 40 JHBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Br)c1OC(C)=O 3053511 YQGHXYIUOOEYSN-NVNXTCNLSA-N 461.224 3.636 5 40 JHBB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 9714757 SUXJMMLCUDYNAQ-UHFFFAOYSA-N 499.501 3.590 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 16038333 JODXSVQUIIKLOV-NEWJYFPISA-N 480.480 3.623 5 40 JHBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854545 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RIIOIMDMPZNNJD-UHFFFAOYSA-N 474.583 3.766 5 40 JHBB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 12983690 LBWAEMWAHGYMDM-GFCCVEGCSA-N 450.421 3.820 5 40 JHBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32485852 RZTGBLKQRZGRCB-UHFFFAOYSA-N 490.398 3.670 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1F 101140555 NSHBHSJFNLHCPL-FAJYDZGRSA-N 476.508 3.671 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O 408630601 VNGFNDLVZNLKLL-UHFFFAOYSA-N 471.491 3.800 5 40 JHBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)ccc12 2092774 WKOSNIJSGRBXGT-UHFFFAOYSA-N 481.526 3.846 5 40 JHBB biogenic COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 2622301 WHTDJJSFXNPOED-UHFFFAOYSA-N 453.476 3.607 5 40 JHBB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 10021977 BVPGVFVGGROMBL-LLVKDONJSA-N 471.388 3.572 5 40 JHBB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 18979698 HCLLGLXQPQWWCK-LBPRGKRZSA-N 483.399 3.786 5 40 JHBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(Cc4ccccc4)c3nc12 100707505 DKQFNEOUBZIBLQ-UHFFFAOYSA-N 490.972 3.972 5 40 JHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225085399 WNVJDARVTCEEHB-MSOLQXFVSA-N 457.527 3.623 5 40 JHBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br 408653227 DOSUOTSDDBJYQY-AWEZNQCLSA-N 490.310 3.509 5 40 JHBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 408672561 NUZDQLFQUQDQCQ-UHFFFAOYSA-N 486.477 3.704 5 40 JHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409146175 KAKCDFKPZKVFIB-OAHLLOKOSA-N 468.539 3.736 5 40 JHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3228060 PAGAYUOAJRQPQM-UHFFFAOYSA-N 452.488 3.699 5 40 JHBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 9226697 SIJHAZSXSBZBOF-KRWDZBQOSA-N 469.519 3.822 5 40 JHBB Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc(F)cc1 12583072 OACUZCDLDNJOHK-IBGZPJMESA-N 461.519 3.746 5 40 JHBB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12758520 OZSHXTHYMKURCJ-UHFFFAOYSA-N 450.289 3.603 5 40 JHBB COc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 16050985 QGLIVMRZYWWSFL-LBPRGKRZSA-N 456.373 3.962 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1F 33743331 WPXBKCPOWASHRJ-AWEZNQCLSA-N 486.529 3.876 5 40 JHBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225592745 ZHCHBMURVYEUDI-XMMPIXPASA-N 491.544 3.677 5 40 JHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23157669 DIDMCHPOZRVTKC-IBGZPJMESA-N 468.514 3.764 5 40 JHBB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 32752991 VCBADARSPKCSEF-UHFFFAOYSA-N 471.539 3.536 5 40 JHBB CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223726644 LIJXGDOGUXWLDF-FQEVSTJZSA-N 477.583 3.632 5 40 JHBB Cc1cccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)c1 224855929 HMTALAKRRRNZSO-UHFFFAOYSA-N 497.573 3.987 5 40 JHBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225663077 HDDFGJIUIUWYIQ-JXFKEZNVSA-N 475.517 3.843 5 40 JHBB CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 9030703 SYPUMSLOCIOCDO-UHFFFAOYSA-N 460.464 3.876 5 40 JHBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186958 WLKBDZBUHJYDGP-HNNXBMFYSA-N 464.550 3.572 5 40 JHBB COc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 14413122 BFXWELIQKNNHPZ-KRWDZBQOSA-N 499.545 3.685 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 20410914 IOOJQIAQWYPWBF-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102960702 JMOOMEDXBBTHEC-REWPJTCUSA-N 476.416 3.961 5 40 JHBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 840687 JQDKJRQQHYHITK-UHFFFAOYSA-N 459.911 3.760 5 40 JHBB CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 6547600 WEDOEAVBVSQXAI-JOCHJYFZSA-N 496.541 3.627 5 40 JHBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O 9129373 FVCCLCFGVHSKBQ-YKSBVNFPSA-N 450.495 3.642 5 40 JHBB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 15108301 KVVHTUOMGIGLFP-OAQYLSRUSA-N 464.478 3.549 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20533154 WDKSHQXVVHSSAZ-DEJKCJRPSA-N 490.516 3.948 5 40 JHBB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224890615 MMIJEEIUNWZKJH-MRXNPFEDSA-N 475.445 3.985 5 40 JHBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1[N+](=O)[O-] 408671727 UHZRXDGOXMVJSJ-LBPRGKRZSA-N 466.277 3.745 5 40 JHBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 14276217 JMGRPJNWHNTWMM-UHFFFAOYSA-N 485.566 3.687 5 40 JHBB O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 15674259 ZZMKSELNBXDQBX-WBVHZDCISA-N 450.373 3.851 5 40 JHBB biogenic,in-vitro O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399557 WLDCPGXKWFNADR-GFCCVEGCSA-N 489.275 3.793 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccccc1F 100820967 BONJTDCCPMQVNI-GDWJVWIDSA-N 496.498 3.754 5 40 JHBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)cc1 100869813 NKTSOHJDHISPLD-UHFFFAOYSA-N 463.541 3.610 5 40 JHBB CCCCn1/c(=N\C(=O)CCOc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628199 DSZJOHHFEUEBLP-GNVQSUKOSA-N 488.544 3.522 5 40 JHBB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408639755 YPYHAFQRERZETH-LJQANCHMSA-N 482.489 3.721 5 40 JHBB COc1ccc(C2=NN(C(=O)CNc3cc([N+](=O)[O-])ccc3OC)[C@@H](c3ccco3)C2)cc1 9368528 CPSAJGNLRYYSSD-HXUWFJFHSA-N 450.451 3.995 5 40 JHBB COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl 10331445 SXNPAVLAWCCIRT-JTQLQIEISA-N 462.311 3.703 5 40 JHBB CC1CCN(S(=O)(=O)c2ccc(SCCCn3c(=O)[nH]c4ccccc43)c([N+](=O)[O-])c2)CC1 12538978 VGACLRIOFWOIME-UHFFFAOYSA-N 490.607 3.841 5 40 JHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223031257 GSYBYHHAKGNJRX-SFTDATJTSA-N 454.508 3.877 5 40 JHBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224273511 BKTAXNTUYVRJBG-MRXNPFEDSA-N 477.945 3.825 5 40 JHBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224639461 SIYRDJALISVKRI-HNNXBMFYSA-N 463.918 3.578 5 40 JHBB CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224820718 POFHXDSTCUBYEV-UHFFFAOYSA-N 477.583 3.634 5 40 JHBB COc1cc(/C=C/C(=O)O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 226337365 LEPSNNLLCJLMHG-QPJJXVBHSA-N 455.204 3.885 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccco2)N2C=Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] 247999555 RSTJRUJDRXPOHC-GSPCLOLRSA-N 469.453 3.895 5 40 JHBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408565393 KGJMDEKBABPRQW-YLORPAJWSA-N 477.492 3.935 5 40 JHBB Cc1ccc(OCCNC(=O)c2cc(C(=O)NCCOc3ccc(C)cc3)cc([N+](=O)[O-])c2)cc1 8690731 IESBTURUBOXZOG-UHFFFAOYSA-N 477.517 3.829 5 40 JHBB O=C(Nc1nc(SCc2ccccc2)ns1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12565649 ACCMTFNCEPEZII-UHFFFAOYSA-N 457.537 3.828 5 40 JHBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br 22715727 MDHDWKJUBYRBED-UHFFFAOYSA-N 479.356 3.629 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c(C)c1 409181037 ZCVWYBWWPGXNBN-BKUYFWCQSA-N 496.545 3.723 5 40 JHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](CSCc1ccccc1)C(=O)O 2123344 FOPXWXBUEYWDQI-NRFANRHFSA-N 463.511 3.828 5 40 JHBB biogenic COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)c1 3309195 GHSINUGFPHEMTE-NRFANRHFSA-N 484.486 3.544 5 40 JHBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1COc2ccccc2O1 9540618 OYSJTKVIFXLOOV-INIZCTEOSA-N 471.491 3.656 5 40 JHBB CC[C@H](Sc1nnc(CC(=O)Nc2ccc(F)cc2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 18201383 YTCRZRMZZQGPAF-KRWDZBQOSA-N 472.502 3.553 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223675114 LMXLVSQZOJUPDV-LEWJYISDSA-N 452.492 3.785 5 40 JHBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 409369836 ZRDIMVPQUDVWQH-ZQFKLAOWSA-N 469.453 3.997 5 40 JHBB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3076346 UZHGGVFOHMQXPS-UHFFFAOYSA-N 461.022 3.986 5 40 JHBB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9015591 LFZMWXNNVAOHFT-UHFFFAOYSA-N 494.270 3.981 5 40 JHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9234669 HVSLJCNNKSPPCA-NJDAHSKKSA-N 460.402 3.554 5 40 JHBB Cc1cc(Cl)ccc1OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9613330 RQYQESPPSFXFOQ-UHFFFAOYSA-N 467.912 3.863 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1c(F)cccc1Cl 101176498 VNGVEHGECCNTCN-HFTWOUSFSA-N 482.899 3.940 5 40 JHBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223712854 AYGGLKVDNVMXAU-FQEVSTJZSA-N 471.554 3.747 5 40 JHBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 408657489 UIRAUMUHGYFQJA-INIZCTEOSA-N 457.442 3.828 5 40 JHBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408668211 CVMFEWLNVGUQMW-NIKGAXFTSA-N 480.473 3.569 5 40 JHBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408678769 CZKOXAYKXFWNJJ-IEBWSBKVSA-N 481.892 3.830 5 40 JHBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 1440959 BOHQMDAGJBLPAQ-UHFFFAOYSA-N 466.416 3.576 5 40 JHBB O=C(/C=C1\SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)Nc1ccc([N+](=O)[O-])cc1 16754405 BBWCELBOUVNXFL-DHDCSXOGSA-N 494.407 3.770 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)c([N+](=O)[O-])c1 19949890 UKLVMIYKBPGFCX-LJQANCHMSA-N 475.505 3.794 5 40 JHBB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 21841606 ZUTYUJFYBDXNCU-CYBMUJFWSA-N 466.416 3.795 5 40 JHBB COc1ccc(OC)c(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 22760454 ZBMPJQARGBEVME-UHFFFAOYSA-N 460.446 3.930 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 223157488 BMQZPGMLOIKYMN-DHIUTWEWSA-N 479.562 3.555 5 40 JHBB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 224059502 DZOYSUVRPYDJGR-UHFFFAOYSA-N 483.546 3.602 5 40 JHBB COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 2211739 CASCTVLLLTYSNC-NSHDSACASA-N 455.858 3.909 5 40 JHBB O=[N+]([O-])c1ccc(N2CCN(Cc3nnc(-c4ccc(Br)s4)o3)CC2)cc1 12527727 MEWVCRLDXMWPNL-UHFFFAOYSA-N 450.318 3.791 5 40 JHBB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 12634741 MWOCVCGGMQASTO-RYUDHWBXSA-N 485.415 3.960 5 40 JHBB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 19867917 JIYPEXHNEOGRDM-UHFFFAOYSA-N 451.932 3.737 5 40 JHBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20153319 BRFZYIRMXBIVDQ-UHFFFAOYSA-N 496.545 3.619 5 40 JHBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1nnnn1-c1ccc(C)cc1 22108217 PFEONXKQWVHEBZ-UHFFFAOYSA-N 489.536 3.668 5 40 JHBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 9119475 ZFKAXLAKFAPENY-DEOSSOPVSA-N 483.484 3.691 5 40 JHBB CCN(CC(=O)Nc1c(F)cccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 9125011 QLNQQNONVGWLIK-UHFFFAOYSA-N 482.509 3.513 5 40 JHBB C[C@H](NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 16576094 OUQNNVUCKBEEBH-KSKOPSKJSA-N 472.611 3.641 5 40 JHBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 32999799 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9647498 CQSAVCZAKQZYJJ-UGKGYDQZSA-N 485.610 3.955 5 40 JHBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186959 WLKBDZBUHJYDGP-OAHLLOKOSA-N 464.550 3.572 5 40 JHBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 20528435 JVXWPHUBUXAUIW-UHFFFAOYSA-N 474.945 3.960 5 40 JHBB O=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 20851301 LJVWNPNDLGXIDU-UHFFFAOYSA-N 498.539 3.840 5 40 JHBB C[C@H](C(=O)NC1CC1)N1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 62281974 OJDJRKSSAJJXJR-GOSISDBHSA-N 487.560 3.789 5 40 JHBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223675027 LMXLVSQZOJUPDV-SFTDATJTSA-N 452.492 3.785 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408683349 LHANGMDRKWJYJH-AFHBHXEDSA-N 451.866 3.613 5 40 JHBB Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409184434 XZQLGFKLTCQYIL-UHFFFAOYSA-N 461.386 3.969 5 40 JHBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccco1 9860227 ZGIQSHXZGUUKCH-UHFFFAOYSA-N 451.490 3.824 5 40 JHBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 16042332 VHNGMPJSBOXGEO-BVAGGSTKSA-N 466.497 3.961 5 40 JHBB biogenic Cc1ccc([C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2)cc1 20049343 CCUQAPFCQZPKHO-QHCPKHFHSA-N 453.520 3.575 5 40 JHBB COc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 22429744 JVLKQZWAQDXTMS-KRWDZBQOSA-N 469.519 3.676 5 40 JHBB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 22707751 ABFSSNIJAJVSOW-UHFFFAOYSA-N 471.583 3.713 5 40 JHBB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 408588567 GTTDATRLFFPXJN-UHFFFAOYSA-N 471.491 3.730 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408651619 NPIXEBNROYJPDJ-NJDAHSKKSA-N 463.490 3.789 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2F)n1C 409127208 GVODXQMJSNEGPV-IBGZPJMESA-N 486.529 3.720 5 40 JHBB COc1ccccc1CN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1877006 QQXLCBRLTRIJQU-KCWPFWIISA-N 496.523 3.970 5 40 JHBB biogenic CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1 19929477 BIZSTZAXYDNTRK-UHFFFAOYSA-N 454.512 3.871 5 40 JHBB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619511 GGNGCJMZENBLCV-UHFFFAOYSA-N 474.868 3.850 5 40 JHBB CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223483629 CSRXIZJPWRBETH-FXAWDEMLSA-N 477.583 3.951 5 40 JHBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccccc1 224771572 BXNVHZWQQBKJDZ-UHFFFAOYSA-N 455.492 3.676 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 224832109 ZDKWNIJVLAZYSP-UHFFFAOYSA-N 498.561 3.774 5 40 JHBB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 8773148 NOVKXHLIJDTQLK-UHFFFAOYSA-N 494.522 3.844 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3nnc4n3CCCCC4)c([N+](=O)[O-])c2)C1 9314452 UDYIZVQZMPMKNB-YLJYHZDGSA-N 488.614 3.675 5 40 JHBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(=O)NC(N)=O 9612804 BVIROPATCNTTLY-AOHITCTBSA-N 474.473 3.760 5 40 JHBB O=C(Nc1ccccc1CC[N+](=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405632 XTWCMWITYQRISJ-UHFFFAOYSA-N 457.840 3.927 5 40 JHBB COc1ccccc1CSc1nnc(Nc2ccc([N+](=O)[O-])cc2)c(=O)n1-n1cccc1 28534913 KVVDGISWJWAWGW-UHFFFAOYSA-N 450.480 3.704 5 40 JHBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 33873945 GZPHIFFZZCPQKR-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409356298 GBMVEICNGMSAIH-LZYBPNLTSA-N 463.265 3.982 5 40 JHBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765830 GXDIQPPTFSTBIU-UHFFFAOYSA-N 495.469 3.867 5 40 JHBB CCN(CC)C(=O)[C@@H](Oc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccccc1 9646918 MZRODIKFFRWMMJ-NRFANRHFSA-N 463.556 3.614 5 40 JHBB Cc1ccc([C@H](CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])N2CCOCC2)o1 24527770 IELVLEDNRZHAHZ-QFIPXVFZSA-N 486.550 3.782 5 40 JHBB CCc1ccc(C(=O)N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 25469320 BHSUGYJMRLYQNM-UHFFFAOYSA-N 453.542 3.702 5 40 JHBB O=C(COC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 32933361 HDRPXIMXAUAJQY-HNNXBMFYSA-N 490.797 3.952 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1OCC 102741382 NIGROIXRIPAWPU-RMLRFSFXSA-N 488.544 3.855 5 40 JHBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 223525154 UYETVLNPZSEWNA-UHFFFAOYSA-N 489.937 3.639 5 40 JHBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 408641870 DGRNVXHGFJBSHN-WQTXXOFMSA-N 491.500 3.573 5 40 JHBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408648207 JTHUOYUSFPTQQO-YFDDECCXSA-N 493.903 3.684 5 40 JHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 408666054 NNEHMRJMLAUIRA-UHFFFAOYSA-N 469.372 3.523 5 40 JHBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC(=O)NCc1ccco1 9127695 FUZNOPFXALNODT-UHFFFAOYSA-N 469.454 3.784 5 40 JHBB CCOc1ccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)cs2)cc1OC 9766829 LQEGMCATWJRYIY-UHFFFAOYSA-N 473.507 3.887 5 40 JHBB COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] 89637210 WPVRFZDCTWKWJM-UHFFFAOYSA-N 456.476 3.956 5 40 JHBB CC(=O)C1=NN(c2ccccc2)[C@](SCc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)S1 96191956 LAOFOKSEXBTGRG-NRFANRHFSA-N 458.565 3.927 5 40 JHBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(Cc4ccco4)c3nc12 101107967 NUQDKDMFUKOQKC-UHFFFAOYSA-N 473.920 3.662 5 40 JHBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 409353921 URUIBYVPWKQCTR-BKUYFWCQSA-N 496.545 3.723 5 40 JHBB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2447992 PCHWWYVHQUYFQM-OAQYLSRUSA-N 451.500 3.917 5 40 JHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 14271919 PQBMGHVOLVQFFO-JXMROGBWSA-N 465.510 3.855 5 40 JHBB Cc1c(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cccc1[N+](=O)[O-] 15391458 DZTOKQFWBUVRRE-UHFFFAOYSA-N 488.503 3.568 5 40 JHBB O=[N+]([O-])c1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)cc1 16429612 HHGRODSDKUYGMM-UHFFFAOYSA-N 459.553 3.515 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 20410912 SPEDFXRULOFVNH-UHFFFAOYSA-N 455.323 3.865 5 40 JHBB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1C(C)C 21849268 UIYREDBXVAYCLV-UHFFFAOYSA-N 485.562 3.640 5 40 JHBB CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCOCC1 32971748 UKEGXGYGGFCXIP-UHFFFAOYSA-N 480.609 3.895 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(F)cc1 101174582 RNPWDTFMJFFVSD-FAJYDZGRSA-N 476.508 3.671 5 40 JHBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 408700174 BODPPTPQBGFXGA-KRWDZBQOSA-N 461.540 3.766 5 40 JHBB O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc3cc(Br)cnc3n12 1065812 AWYATJYINICKTQ-PXNMLYILSA-N 469.276 3.783 5 40 JHBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 8831237 LGCQGSPVXIPKGQ-UHFFFAOYSA-N 450.455 3.903 5 40 JHBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(=O)n2c(n1)sc1ccccc12 9121253 HWHCDMQBWJZESG-UHFFFAOYSA-N 478.408 3.992 5 40 JHBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1Cl 21237564 ORVROXIULQUAQB-ZDUSSCGKSA-N 482.320 3.772 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646319 IRTQKSXCKTTXMA-PBFVBANWSA-N 481.892 3.519 5 40 JHBB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409351425 SXBWJGQVURKCCL-UHFFFAOYSA-N 488.957 3.829 5 40 JHBB Cc1ccc(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)cc1[N+](=O)[O-] 3295607 XDRSUPVOECMCCA-UHFFFAOYSA-N 486.513 3.981 5 40 JHBB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)Nc1ccccc1[N+](=O)[O-] 9443967 ZNPULWVXTGOPOI-UHFFFAOYSA-N 495.513 3.532 5 40 JHBB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 17919355 LYPNGYSKAYHGLJ-FSSWDIPSSA-N 463.421 3.794 5 40 JHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1 101193712 QQHOFMDTDRGQOR-VSKRKVRLSA-N 474.429 3.550 5 40 JHBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 223200547 ICNRTTXZFWCCAV-ZEQRLZLVSA-N 493.589 3.945 5 40 JHBB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2O1 225989988 OSIAERXYMXKVQU-DEOSSOPVSA-N 471.513 3.780 5 40 JHBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408649580 LJSLLYYRCYIHEO-WTPAXMCGSA-N 495.919 3.908 5 40 JHBB COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 918441 VLOYMFAYXOYTCL-UHFFFAOYSA-N 493.541 3.879 5 40 JHBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3413256 GCPYTOSDWKRVBQ-UHFFFAOYSA-N 495.941 3.608 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccc(-n2cccn2)cc1 8723867 NPIYGWYIVZMKAU-UHFFFAOYSA-N 455.540 3.610 5 40 JHBB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 8896996 MEOZDPRTLQIOCP-UHFFFAOYSA-N 489.985 3.680 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9562521 IRECQXLOUUYVCS-SFHVURJKSA-N 467.400 3.550 5 40 JHBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C 16322875 XMTXJTFOSKCRRN-UHFFFAOYSA-N 464.950 3.752 5 40 JHBB Cc1noc(/C=C\c2cc(I)c(O)c(I)c2)c1[N+](=O)[O-] 408543324 OUENPDAEQUQCHD-IHWYPQMZSA-N 498.014 3.976 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408640348 ATSVIVORHICHPF-UAOJZALGSA-N 483.908 3.910 5 40 JHBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408652061 OCROXBPKJJODSA-LATRNWQMSA-N 481.892 3.519 5 40 JHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 10697127 NOVXPEGVGKYYAO-KRWDZBQOSA-N 477.452 3.617 5 40 JHBB O=[N+]([O-])c1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)s1 16430820 BGZOIIAOVKITFY-UHFFFAOYSA-N 465.582 3.577 5 40 JHBB CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103462265 ZVLKSWDBHGRLPT-BXXSPATCSA-N 459.502 3.853 5 40 JHBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223238412 VSDDSBUHRRMKHZ-KKSFZXQISA-N 459.568 3.814 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223634184 XBJGVVVZSMIPST-RTWAWAEBSA-N 454.508 3.613 5 40 JHBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 12539687 ZFXPONVNTNQCPP-UHFFFAOYSA-N 451.310 3.500 5 40 JHBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O 13591327 NADLGOPYIYUZPN-AVRDEDQJSA-N 456.886 3.679 5 40 JHBB O=C1Oc2ccccc2[C@H]2c3sc(O)nc3S[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]12 35053016 QUNSVPWAELURHX-RBSFLKMASA-N 455.473 3.537 5 40 JHBB CCOc1ccc(Br)cc1[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408567626 QYAVBWJZJLUWKP-RJJVWVDVSA-N 472.339 3.902 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408570622 LQBDUTWAOLGDOV-DWSPACKXSA-N 477.492 3.982 5 40 JHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCc2ccccc2C1 9539622 MBKQXKODGARKJV-ZDUSSCGKSA-N 451.401 3.542 5 40 JHBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)s1 15391430 QBQSNOMSOULLMR-UHFFFAOYSA-N 482.883 3.523 5 40 JHBB Cc1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 19937863 KUULTCPHCIISMO-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 58218236 XHZYLVNYUJSNHL-INIZCTEOSA-N 451.527 3.916 5 40 JHBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(Cc4ccccc4Cl)c3nc12 101158024 KSTSQLVIMKYBCR-UHFFFAOYSA-N 490.972 3.972 5 40 JHBB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 107960596 VTERLZMBUKJFRF-ZDUSSCGKSA-N 488.957 3.907 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O 224855998 DILFRZJMMMVDJF-UHFFFAOYSA-N 485.537 3.981 5 40 JHBB NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 2799304 WKRPEKZGVULIFE-LJQANCHMSA-N 453.458 3.627 5 40 JHBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 32116403 QBYXHBVDUSGYOS-UHFFFAOYSA-N 475.118 3.952 5 40 JHBB O=[N+]([O-])c1c(Br)ccc(I)c1I 98211036 GLOILDQSOWYGIA-UHFFFAOYSA-N 453.799 3.567 5 40 JHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 409022385 MLSGOBOZXLDTSZ-XDHOZWIPSA-N 476.445 3.703 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O 10336226 DKIFTEZCGGMQNM-UHFFFAOYSA-N 489.978 3.511 5 40 JHBB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 57316416 MQVLBZZHHSPQLH-UHFFFAOYSA-N 467.536 3.759 5 40 JHBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225486159 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Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O 260836928 BMSPWOCRFXHOPJ-GFCCVEGCSA-N 495.970 3.868 5 40 JHBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1cccc2ccccc12 408602625 CWPJOSONNSHGRI-ZRDIBKRKSA-N 495.469 3.896 5 40 JHBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409353509 MHSSVXSKLXOHKO-UHFFFAOYSA-N 492.920 3.660 5 40 JHBB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8898573 OGUSJJFATTWWAJ-UHFFFAOYSA-N 488.972 3.591 5 40 JHBB C[C@@H]1CCCCN1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860263 FSSSAJAPGPVFJR-HXUWFJFHSA-N 496.619 3.906 5 40 JHBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1 15391434 BJVANEAPSOOYQD-UHFFFAOYSA-N 482.883 3.523 5 40 JHBB CC[C@H]1CCCCN1[C@@H](NC(=O)OCCn1c([N+](=O)[O-])cnc1C)C(Cl)(Cl)Cl 19204084 MGQYAPQDECRUOR-GXTWGEPZSA-N 456.758 3.787 5 40 JHBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccccc4Cl)c(=O)c3cc2c1=O 40399115 LHMNDLLAMZAIIT-UHFFFAOYSA-N 489.919 3.611 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccc(F)c1 102920085 CPRXADVAVAOEGY-XAYXJRQQSA-N 462.481 3.595 5 40 JHBB COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 205772744 SFFZTSUZLZPTQE-LZYBPNLTSA-N 459.392 3.505 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408666076 ZWVJALMLULXWKB-PMACEKPBSA-N 481.892 3.830 5 40 JHBB Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409141158 ULNFQYHTSSNFOA-FQEVSTJZSA-N 482.566 3.890 5 40 JHBB CCOc1ccc(NC(SCc2ccc([N+](=O)[O-])cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409370262 NSVMKSJHRBRPAN-UHFFFAOYSA-N 470.507 3.601 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4cccnc4)cc3c3ccnc2c31 8792428 BXJXGOYFZJBGFP-UHFFFAOYSA-N 494.507 3.699 5 40 JHBB biogenic CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 12522571 ZSMWQAGNBHROIK-HSZRJFAPSA-N 491.566 3.586 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN21 13607365 IAXLBQNFSIAZQD-IPVQETTRSA-N 484.512 3.907 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccco1)N1C=Cc3ccccc3[C@@H]21 35889570 SPBFLCXHVLOVJG-BJESRGMDSA-N 469.453 3.895 5 40 JHBB CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC 9290884 KBMNFIAZXLJDIB-UHFFFAOYSA-N 456.499 3.821 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 13396830 FXYCRPALNXTOED-LIKDZFNVSA-N 455.470 3.733 5 40 JHBB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 13575834 JBEWDCPWCKBLIH-UYRXBGFRSA-N 461.430 3.711 5 40 JHBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 28924126 QNQFIAQAIQVUHU-OAQYLSRUSA-N 454.870 3.845 5 40 JHBB CCCn1/c(=N/C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102918767 ALWDAIWAFHOFKF-WEMUOSSPSA-N 458.518 3.594 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222614612 PUGKRANOMBHWOJ-NQIIRXRSSA-N 471.554 3.747 5 40 JHBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1Cl 408552296 LMMQVKVIFPOWQK-UHFFFAOYSA-N 467.931 3.605 5 40 JHBB COc1ccc(NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 408977489 DSTFIQWQMZPEJI-HXUWFJFHSA-N 469.519 3.960 5 40 JHBB O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(I)cc2)c1 8834495 AQLWKQITPABURY-HNNXBMFYSA-N 476.317 3.636 5 40 JHBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NCc1ccccc1Cl)C(Cl)(Cl)Cl 12564796 GDTROMIWQVPIEM-CQSZACIVSA-N 485.155 3.965 5 40 JHBB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] 57316701 NKDQQURXQHKLCL-UHFFFAOYSA-N 490.866 3.950 5 40 JHBB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224890716 VBVGVQLEIXYWMO-OAHLLOKOSA-N 491.444 3.685 5 40 JHBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 409152310 AUCBAJYYEPYCJT-UHFFFAOYSA-N 463.903 3.875 5 40 JHBB COc1ccc2c(c1)c(C(=O)N1C[C@@H]3C[C@H](C1)Cn1c3ccc([N+](=O)[O-])c1=O)cn2C(C)C 888088998 BQLHKNZYGRUJMK-CVEARBPZSA-N 450.495 3.560 5 40 JHBB O=c1c2cc3c(=O)n(-c4nc(SCc5ccccc5)n[nH]4)ccc3nc2ccn1Cc1ccccn1 40398959 YUYGWDJKWPFTGG-UHFFFAOYSA-N 493.552 3.554 5 40 JHBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223705590 UJEUTPDHSYOGFS-FCHUYYIVSA-N 482.518 3.794 5 40 JHBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4198919 JSSFSCUABXCNCI-UHFFFAOYSA-N 460.464 3.958 5 40 JHBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1c1ccccc1 9187845 XLJRKLBIWWKJAI-SQJMNOBHSA-N 474.448 3.737 5 40 JHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1c(Cl)cccc1Cl 15278014 SHHWMTPIDZITRV-UHFFFAOYSA-N 454.266 3.534 5 40 JHBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 19171217 RJAZDUONLNAYOO-CLCZQPDDSA-N 484.512 3.666 5 40 JHBB Cn1c([C@H]2COc3ccccc3O2)nn(CN2CCSc3ccc([N+](=O)[O-])cc32)c1=S 40155493 OHJGIAMGSZWIEQ-QGZVFWFLSA-N 457.537 3.942 5 40 JHBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739213 WKFAHJOXFLKHLD-UNOMPAQXSA-N 470.463 3.576 5 40 JHBB CCc1ccc(CC)c(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 223212133 RODIRJLURQKBOY-UHFFFAOYSA-N 461.584 3.891 5 40 JHBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]1 409162827 IKUPKWMEYFSIJN-BJZITVGISA-N 474.587 3.627 5 40 JHBB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 9908217 WSVJFDCIBBJJCE-LJQANCHMSA-N 470.873 3.785 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 14279928 UCAPLNMGXHXTIC-HNNXBMFYSA-N 475.523 3.628 5 40 JHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 19868682 BOXSEZXJVKXCSD-UHFFFAOYSA-N 455.895 3.568 5 40 JHBB COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 24724383 UWEVCYQWJMRHJJ-UHFFFAOYSA-N 477.539 3.574 5 40 JHBB 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DBHLWIAUZRVDLN-IUXPMGMMSA-N 473.894 3.575 5 40 JHBB Cc1c(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1450870 NBBJIPDAOKGSNA-LJQANCHMSA-N 498.754 3.931 5 40 JHBB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)O2)cc1 8843065 DTHWOOFEAGQTRM-QHCPKHFHSA-N 497.485 3.610 5 40 JHBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 8896796 SYRWJHHQLQRRMJ-UHFFFAOYSA-N 489.557 3.684 5 40 JHBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1I 22741467 DYRKWBMAEGFGSJ-UHFFFAOYSA-N 484.300 3.936 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260939215 QWLHVTGYUDQILM-IERDGZPVSA-N 489.594 3.904 5 40 JHBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408651618 NPIXEBNROYJPDJ-HBMCJLEFSA-N 463.490 3.789 5 40 JHBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2247754 REHIOSBRHDPRSW-KRWDZBQOSA-N 469.501 3.559 5 40 JHBB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)nc1C 3273438 VNIMRHXWNGEDBL-UHFFFAOYSA-N 473.463 3.520 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 13145297 MUWPTCNVXAITTJ-UHFFFAOYSA-N 453.476 3.607 5 40 JHBB COc1ccc(Br)cc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16226763 WUVZEGPRXSDMBK-UHFFFAOYSA-N 454.708 3.982 5 40 JHBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 32124801 OCKYGTFGQNQRGB-YVLHZVERSA-N 461.477 3.824 5 40 JHBB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224807500 GLEAIPQXCAUYMK-HNNXBMFYSA-N 463.918 3.579 5 40 JHBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 21124456 VLBCHEGMYQMEIM-UHFFFAOYSA-N 456.808 3.711 5 40 JHBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157666 RNZHSBDHUKQEMZ-LJQANCHMSA-N 468.514 3.764 5 40 JHBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 14276105 CCUMVNZBJGXBGU-UHFFFAOYSA-N 485.566 3.925 5 40 JHBB O=C(c1cccnc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 20518797 RRANEJOVMWVIMH-DEJKCJRPSA-N 490.516 3.948 5 40 JHBB O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 22537768 SDGWNMAYODYIHY-UHFFFAOYSA-N 455.902 3.578 5 40 JHBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1Br 96594250 XINLFCJBEBIBHH-LFIBNONCSA-N 476.308 3.824 5 40 JHBB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 8685443 RBEWXWMKIUELTH-GFCCVEGCSA-N 452.305 3.834 5 40 JHBB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 9335497 UTIGAZVCMWPPHR-MRXNPFEDSA-N 495.513 3.530 5 40 JHBB Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12 9663534 VYRFUNNMNBCDDQ-SFHVURJKSA-N 463.446 3.659 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 32735904 HUHZHQHRPHUUHM-UHFFFAOYSA-N 475.596 3.562 5 40 JHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C 409350209 RCWHSTLPYGOGIR-WSVATBPTSA-N 455.448 3.615 5 40 JHBB O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 4017697 BDISFISBNFNQNK-AWEZNQCLSA-N 492.728 3.916 5 40 JHBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1OC 14410949 MYOUWMRZEIPZEW-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB COc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 22429756 FTYKQPQYIIRDRY-KRWDZBQOSA-N 499.545 3.685 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)c(Cl)c1 138904971 CODHWCCUTXCWLH-NSHDSACASA-N 496.701 3.546 5 40 JHBB O=C1[C@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1ON=C(c2cccc([N+](=O)[O-])c2)[C@@H]31 247351776 WEPDJTNPXHRBCG-KMBCLYMLSA-N 471.391 3.788 5 40 JHBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 408907523 QCAKFQWSFLOKPW-UHFFFAOYSA-N 461.521 3.813 5 40 JHBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccccc2)n1C 409130709 UHECQKLHTGBIPK-LJQANCHMSA-N 468.539 3.581 5 40 JHBB CC[C@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792182 QFKROVVZMIOOSL-AWEZNQCLSA-N 459.502 3.903 5 40 JHBB biogenic Cc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1 9127799 RHVGXDOHVIKRHP-UHFFFAOYSA-N 465.503 3.625 5 40 JHBB Cc1c(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] 16250129 CSKSDPKGFSUQCT-UHFFFAOYSA-N 497.455 3.667 5 40 JHBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18155767 CEFWHDCPWNQIKV-VABKMULXSA-N 475.457 3.663 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409126023 APFVNMLISFFEJG-LZYBPNLTSA-N 478.866 3.957 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C 409152362 KDNQXAZANDSSAE-IBGZPJMESA-N 468.539 3.581 5 40 JHBB Cc1cc(C)nc(Sc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])n1 409160905 KGPHVPAGIATSNL-YBFXNURJSA-N 461.528 3.923 5 40 JHBB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409368118 RVNWXPXRPDNGOI-PGAZUGQPSA-N 468.465 3.683 5 40 JHBB O=C(O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)ccc1Cl 9489294 CKQQDWOFFFHIDO-IYZJKTGWSA-N 474.856 3.823 5 40 JHBB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1 12764924 KDGYECWEIZTEHO-INIZCTEOSA-N 454.552 3.963 5 40 JHBB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1CC 13944990 MMCVAEIHBZWWBW-UHFFFAOYSA-N 453.524 3.925 5 40 JHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 34719850 FXYCRPALNXTOED-BQQUOAEZSA-N 455.470 3.733 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1cc2cc(F)ccc2s1 40135320 XPHGGJQBOULPBI-UHFFFAOYSA-N 451.501 3.582 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(F)cc1 102746525 WAFOGNXIVTZCIV-XAYXJRQQSA-N 462.481 3.595 5 40 JHBB Cc1ccc(-n2c(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 2632024 CAYICFHLNTWFIH-UHFFFAOYSA-N 474.498 3.651 5 40 JHBB CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 9235838 NEZXSVQJXLJOBR-WEVVVXLNSA-N 488.294 3.882 5 40 JHBB O=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 12437503 TVWNRXHUPRVBRJ-UHFFFAOYSA-N 498.539 3.840 5 40 JHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 16047114 HXFNQDYKTFQQHQ-GOSISDBHSA-N 450.495 3.848 5 40 JHBB COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 17783698 GOQVYQHWNBCKBV-SMIHKQSGSA-N 489.484 3.659 5 40 JHBB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 22998681 IBPVICGFGACISE-UHFFFAOYSA-N 462.553 3.562 5 40 JHBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)c3cccc(I)c3)cc21 408534551 VZLDSQOAXQJKEM-UHFFFAOYSA-N 480.262 3.608 5 40 JHBB O=C(COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 8861092 AOXXSZVFAWOJEY-UHFFFAOYSA-N 471.425 3.728 5 40 JHBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c([N+](=O)[O-])c1 24173756 JRZULOQYULZDMF-UHFFFAOYSA-N 463.903 3.695 5 40 JHBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 138531957 PNNKJXDRUVIAPA-GOSISDBHSA-N 453.495 3.563 5 40 JHBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223277412 IWNLIROGEGYNTI-KRWDZBQOSA-N 484.336 3.842 5 40 JHBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408570631 LQBDUTWAOLGDOV-LXISHSFJSA-N 477.492 3.982 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1Cl 408584392 PGMRDXXFLSVGPP-UHFFFAOYSA-N 467.931 3.686 5 40 JHBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409368515 AAQCRHGCDPTRGS-LQDNNDEMSA-N 455.426 3.688 5 40 JHBB Cc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3314063 OIYBASPPSQZTOX-UHFFFAOYSA-N 498.513 3.936 5 40 JHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(-c2cn3ccccc3n2)cc1 8746313 KIWLFEXVQXCHGS-UHFFFAOYSA-N 479.518 3.674 5 40 JHBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC 18086211 HTCXICINKGOFAI-SGNDLWITSA-N 489.484 3.972 5 40 JHBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 35851987 RDBXRFOLKKAKLB-CJRSTVEYSA-N 465.465 3.993 5 40 JHBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 409361638 QSPINDOUKZTJQN-VCHYOVAHSA-N 458.448 3.540 5 40 JHBB COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2229015 LXFQBIXTMBFIDN-UHFFFAOYSA-N 453.498 3.981 5 40 JHBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 9907853 WHTLUXFCRHGVTQ-UHFFFAOYSA-N 488.500 3.596 5 40 JHBB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 9908216 WSVJFDCIBBJJCE-IBGZPJMESA-N 470.873 3.785 5 40 JHBB O=C(COC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 32933362 HDRPXIMXAUAJQY-OAHLLOKOSA-N 490.797 3.952 5 40 JHBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 36189839 KWLLYQZMXTVBFM-VGOFMYFVSA-N 462.256 3.555 5 40 JHBB O=C(N[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 98092049 UQHMVDPPLJEJHZ-LJQANCHMSA-N 493.428 3.743 5 40 JHBB C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=N)c1ccccc1 101159022 AFZPVIPVJBSZKI-KRWDZBQOSA-N 467.504 3.807 5 40 JHBB CC1=C[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 101478195 QNPDOFCZLATMOX-CLAROIROSA-N 459.502 3.852 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccc(F)c(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103001469 QJQROTLDECVPIV-IADYIPOJSA-N 480.471 3.645 5 40 JHBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 408577728 RABZXLHJRWRWFU-UHFFFAOYSA-N 463.490 3.766 5 40 JHBB C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 8824732 DEGGSFXYTZIIJV-NSHDSACASA-N 463.418 3.946 5 40 JHBB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2c(ccc3ccccc32)oc1=O 9090356 VVYPZKUGMMXRJX-UHFFFAOYSA-N 498.944 3.873 5 40 JHBB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 9599931 FWVKHRNBQBPSHR-UHFFFAOYSA-N 471.520 3.940 5 40 JHBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(=O)NC(N)=O 9612805 BVIROPATCNTTLY-RGHBXIHOSA-N 474.473 3.760 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)c([N+](=O)[O-])c1 12561417 JPVZTPWISQDXHN-GOSISDBHSA-N 479.477 3.779 5 40 JHBB CC(=O)c1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 101621233 LHOPYEDKVQLXMD-JTHBVZDNSA-N 454.442 3.580 5 40 JHBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409305290 UXAYIEDSBMHELW-UTCJRWHESA-N 485.365 3.974 5 40 JHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723512 QCMWTPVHVCCPKT-UHFFFAOYSA-N 480.524 3.542 5 40 JHBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 13633000 YHYMXOZNVPSXRM-UHFFFAOYSA-N 478.549 3.849 5 40 JHBB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14827076 GZEOKEPCCDHDLS-LLVKDONJSA-N 467.912 3.944 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851529 VODICKRBOLSNKG-APDHKMKFSA-N 472.526 3.809 5 40 JHBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 44901259 UIETUZXJXCISBW-UHFFFAOYSA-N 481.939 3.991 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222888153 CAFRLJMGLXXGFN-UHFFFAOYSA-N 455.536 3.919 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409263345 KLWBSQXLFCCQOP-UHFFFAOYSA-N 470.463 3.645 5 40 JHBB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C 409344772 HCTSJMYZNIBUPA-UHFFFAOYSA-N 457.512 3.659 5 40 JHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NC4CC4)cc3c3ccnc2c31 8792349 GNJJEFDXDDKRLM-CYBMUJFWSA-N 457.486 3.655 5 40 JHBB biogenic COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 12017586 KLZMKBDOVNSZSV-XPWALMASSA-N 459.458 3.963 5 40 JHBB 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474.856 3.823 5 40 JHBB COc1cc(-c2cc(C(=O)O)c3c(-c4ccc([N+](=O)[O-])cc4)[nH]nc3n2)cc(OC)c1OC 20492153 WUSNMUFQZJYXKJ-UHFFFAOYSA-N 450.407 3.924 5 40 JHBB COCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 32994822 KHOYTVSHNYAHFK-LJQANCHMSA-N 480.546 3.746 5 40 JHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 103529760 JODXSVQUIIKLOV-KEZOAJOQSA-N 480.480 3.623 5 40 JHBB COCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2cc(OC)ccc2OC)cs1 6904816 WRCXPLSZPSREMG-UHFFFAOYSA-N 473.507 3.794 5 40 JHBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN21 13607368 IAXLBQNFSIAZQD-JPYYHWIRSA-N 484.512 3.907 5 40 JHBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)cc1I 13608752 YJZISJBAOIXXES-UHFFFAOYSA-N 481.290 3.905 5 40 JHBB O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 13731757 PAIAUZTXCXMHPH-UYRWNNBYSA-N 453.454 3.923 5 40 JHBB CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C 24578072 NEECYXQKVYEMDB-UHFFFAOYSA-N 464.887 3.720 5 40 JHBB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 35128825 LETGNGUCECDHOF-UHFFFAOYSA-N 482.581 3.591 5 40 JHBB N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101220264 CEJYNZYICACSAD-UHFFFAOYSA-N 469.932 3.760 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222811825 XGCIUMGFBDLVAE-UHFFFAOYSA-N 455.536 3.919 5 40 JHBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1Cl 408617928 FDRKKODKHDWXOI-OAHLLOKOSA-N 481.958 3.995 5 40 JHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 408664158 YVXIQOMWHDDEKK-IBGZPJMESA-N 489.440 3.949 5 40 JHBB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1 409043611 SBZDDLGGYHPQHC-VGOFMYFVSA-N 452.648 3.770 5 40 JHBB CC[C@H](Sc1nnc(CC(=O)Nc2ccc(F)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583196 PPDXFQCDXGWRMX-KRWDZBQOSA-N 472.502 3.553 5 40 JHBB Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br 20410931 OLKCLYKTZGZEBS-UHFFFAOYSA-N 479.356 3.629 5 40 JHBB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 22753256 KSWTZCPVZYHFTG-UHFFFAOYSA-N 494.529 3.897 5 40 JHBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2N)c2ccccc2)c([N+](=O)[O-])c1 36640282 AFGPEZZUZFKTHH-AWEZNQCLSA-N 452.418 3.699 5 40 JHBB CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 225087012 RGNZVIFWPGUWMJ-FQEVSTJZSA-N 477.583 3.589 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 225641777 MDKZJNGVVCNGCC-UHFFFAOYSA-N 463.581 3.582 5 40 JHBB C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408615943 DERDGUDOMQFASA-LJQANCHMSA-N 467.547 3.928 5 40 JHBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408688938 XGWQIUJQHKGHLG-YHBQJITHSA-N 498.879 3.911 5 40 JHBB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3432566 XKRZVPHYINMCBD-UHFFFAOYSA-N 488.449 3.606 5 40 JHBB CC1CCN(CCc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 9088006 KWRWXYSVOUTWAY-UHFFFAOYSA-N 451.527 3.773 5 40 JHBB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O 9587705 PFZLJAFGAIZHEH-AREMUKBSSA-N 456.454 3.685 5 40 JHBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3)cc3c(=O)n4cc(C)ccc4nc32)cc1 100851607 NYSZDNQPSAZOGT-UHFFFAOYSA-N 463.541 3.724 5 40 JHBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@H]2C1 408660208 WMTHFCMMEOKLPX-CZAAIQMYSA-N 461.474 3.565 5 40 JHBB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408666101 NTTQOWSNSXGSJO-UHFFFAOYSA-N 485.493 3.698 5 40 JHBB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136343 SNELPPATHFKRFK-HXUWFJFHSA-N 488.614 3.874 5 40 JHBB CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 2622506 ZQQRISRTNOQDDI-UHFFFAOYSA-N 474.491 3.844 5 40 JHBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 8993388 ZVLKSWDBHGRLPT-ODAXIHTASA-N 459.502 3.853 5 40 JHBB O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccccc1C(=O)NCCc1ccccc1 32932073 JSICPPWUYMZXMU-UHFFFAOYSA-N 457.490 3.946 5 40 JHBB O=C(NC[C@H]1CCCO1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 34260099 RTVXTEXVIGKRLB-ODAUKNCYSA-N 461.474 3.921 5 40 JHBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728730 UKPMIRHBJVMNEY-UNOMPAQXSA-N 470.463 3.576 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl 408672446 ZDKZRNYKBGFREE-LLVKDONJSA-N 496.701 3.546 5 40 JHBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9638248 DQPHYCULOKASCB-UHFFFAOYSA-N 460.398 3.619 5 40 JHBB Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 13503372 VNQMJESBVYNCLQ-UHFFFAOYSA-N 464.547 3.956 5 40 JHBB 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3.829 5 40 JHBB Cc1ccc(-c2nn(-c3cc([N+](=O)[O-])ccc3N3CCN(CCO)CC3)c(=O)c3ccccc23)cc1C 12462270 FEXBAQZAPNATFJ-UHFFFAOYSA-N 499.571 3.692 5 40 JHBB COc1ccc(S(=O)(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)cc1-n1cnnn1 15108449 KMFUAXNIZJWTHS-UHFFFAOYSA-N 499.961 3.853 5 40 JHBB O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 32740665 XWNLPCLHMLCINZ-UHFFFAOYSA-N 492.966 3.518 5 40 JHBB CCOc1ccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)c([N+](=O)[O-])c1 39612039 YQKWHJKFTCTRAK-HXUWFJFHSA-N 477.901 3.583 5 40 JHBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c([N+](=O)[O-])c1 40149397 OFLOINHXVCUQPJ-CQSZACIVSA-N 495.989 3.575 5 40 JHBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 100980249 WTXABRIVQCVUTO-OJJQZRKESA-N 494.507 3.932 5 40 JHBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1Cl 101176668 MDOMENQXJBLMAC-SLMZUGIISA-N 478.936 3.876 5 40 JHBB CC[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223726708 LIJXGDOGUXWLDF-HXUWFJFHSA-N 477.583 3.632 5 40 JHBB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144901 OOBBZZGCEQMQKP-MRXNPFEDSA-N 489.583 3.521 5 40 JHBB O=C(CSCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(Cl)cc1 3383771 OLIJTZROOKUNPU-UHFFFAOYSA-N 452.872 3.530 5 40 JHBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9601733 ILNAGUOGMFBWKN-UHFFFAOYSA-N 494.835 3.686 5 40 JHBB C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 20460987 BXMMTRFHOHTLKK-MRXNPFEDSA-N 457.483 3.807 5 40 JHBB CCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257482 AYIIYQPKIZBKHU-UHFFFAOYSA-N 470.482 3.788 5 40 JHBB O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307659 VODICKRBOLSNKG-HXKBJWFLSA-N 472.526 3.809 5 40 JHBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 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3.672 5 40 JHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224549407 DDOIFNUGWPEXLK-HXUWFJFHSA-N 457.527 3.562 5 40 JHBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408565624 LOTABWZHCNNEPS-VFHOHQAYSA-N 459.502 3.796 5 40 JHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccccc2)cc1 408641650 CWZJZWBZRJULBT-LJQANCHMSA-N 488.452 3.593 5 40 JHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(NC(C)=O)c1 408675322 VQEZJNSXTWSLIH-UHFFFAOYSA-N 470.511 3.571 5 40 JHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408683792 MEIXGIYLPPMLMW-KDURUIRLSA-N 484.306 3.866 5 40 JHBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 408706176 WRIQAHOZJZZFSS-UHFFFAOYSA-N 491.547 3.822 5 40 JHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2nc(-c3cccc(Br)c3)no2)CC1 9095360 MIVYFBVFKRBADP-UHFFFAOYSA-N 493.339 3.976 5 40 JHBB 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CCC1(CC)C[C@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 225832313 DNTSRCKRYDFKDA-IBGZPJMESA-N 475.567 3.868 5 40 JHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409131005 MOTGPQJQHWRUPJ-OAHLLOKOSA-N 468.539 3.736 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409354721 ALXAWNGZWRIHND-ZDUSSCGKSA-N 488.957 3.907 5 40 JHBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)no1 9444308 WWUKSLZEROXQRM-UHFFFAOYSA-N 471.495 3.545 5 40 JHBB CC(C)c1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)ccc12 12893490 JOWZHJFCPPPCHN-UHFFFAOYSA-N 474.491 3.638 5 40 JHBB COc1ccc(CCn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100752390 VWMZGNZZXMJTMI-IBGZPJMESA-N 493.567 3.871 5 40 JHBB biogenic C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc([N+](=O)[O-])ccc4n3C)cc2)C1 100815429 IBSFJJYHXVTZCF-DONQTUDOSA-N 488.591 3.556 5 40 JHBB CCOC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 102674469 CWBFOZNZYALHJC-KJWPAHLWSA-N 468.506 3.942 5 40 JHBB O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 142841948 MTJIZKBBRQHNMH-LWUPDDLQSA-N 481.533 3.933 5 40 JHBB CCC1(CC)C[C@H](NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc2O1 225131915 SQBCKYCLIUIJOP-SFHVURJKSA-N 491.566 3.568 5 40 JHBB COc1ccc([C@@H]2[C@H](C(=O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 248249160 OGWHSRIFGMCRDG-WSOYEBOPSA-N 467.485 3.793 5 40 JHBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)Nc1cccc(F)c1 409230286 CXTPVUYMCKOWMW-LHHJGKSTSA-N 451.819 3.768 5 40 JHBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2411930 GTYOQJDHDHQZGO-UHFFFAOYSA-N 471.517 3.806 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8824827 UODRKTOOSGTSHG-AWEZNQCLSA-N 489.440 3.588 5 40 JHBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 14572558 DSSOYKAVMUWXFC-LJQANCHMSA-N 491.548 3.643 5 40 JHBB O=C(Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cs1)NCc1ccccc1 22526013 WIYZOACCQVORIZ-UHFFFAOYSA-N 480.546 3.867 5 40 JHBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1C 101087571 APNPGGYVSAHXOW-JVCXMKTPSA-N 496.523 3.825 5 40 JHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 205774085 ZDLYZEXVYIFORZ-LZYBPNLTSA-N 459.392 3.505 5 40 JHBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 224074187 XYGFSJTVNRUNIY-UHFFFAOYSA-N 495.542 3.947 5 40 JHBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408640347 ATSVIVORHICHPF-JSNMRZPZSA-N 483.908 3.910 5 40 JHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408676562 ARZJLIFDZUXTCF-HOTGVXAUSA-N 486.868 3.889 5 40 JHBB O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 408929357 JBIDZMMTKNNYFL-AWNIVKPZSA-N 497.099 3.918 5 40 JHBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC)c1cccc([N+](=O)[O-])c1 8868271 CNYMFFDBNQFGIQ-AWEZNQCLSA-N 477.322 3.883 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 9339431 MVRVHHYTWOLINU-UHFFFAOYSA-N 456.908 3.823 5 40 JHBB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OCC 12522465 FLAZHYMDSUGVDV-UHFFFAOYSA-N 456.499 3.677 5 40 JHBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(CCOc3ccccc3)CC2)cc1[N+](=O)[O-] 12608584 FKEJSWHEMIOUAX-UHFFFAOYSA-N 488.544 3.704 5 40 JHBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17306446 VYSKXVGAZABUSY-OKILXGFUSA-N 495.579 3.752 5 40 JHBB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 33498930 IFNOGJMOWANJAP-UHFFFAOYSA-N 488.610 3.787 5 40 JHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 108107564 RBPBHXZPWVNXTM-HNNXBMFYSA-N 468.539 3.736 5 40 JHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222597401 GVDIKNQLICLZAA-IBGZPJMESA-N 477.945 3.968 5 40 JHBB CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566003 MODWHTDXURENOY-QFZRFWILSA-N 474.473 3.696 5 40 JHBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408683478 LHZHJXPWBCXGSA-DKSSEZFCSA-N 483.908 3.910 5 40 JHBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 409088263 KPVRDTFQDBVTTG-UDWIEESQSA-N 473.445 3.622 5 40 JHBB Cc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 409179084 NALBZWJAEURUEW-UHFFFAOYSA-N 484.442 3.684 5 40 JHBB CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl 3420265 WFSCMFGULGUTKT-UHFFFAOYSA-N 457.891 3.865 5 40 JHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCc3nccn3Cc3ccccc3)c([N+](=O)[O-])c2)C1 12559027 DCWLRXNRTFRDAD-LJQANCHMSA-N 483.594 3.915 5 40 JHBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 408641009 BZHWJAUMTLAELF-UHFFFAOYSA-N 463.833 3.785 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408677512 CADXUQJQOVBZGK-AFHBHXEDSA-N 453.882 3.837 5 40 JHBB COc1ccc(NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 408977488 DSTFIQWQMZPEJI-FQEVSTJZSA-N 469.519 3.960 5 40 JHBB O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F 409215983 CSQXWIAPYQVRLX-BOPFTXTBSA-N 450.382 3.525 5 40 JHBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409353006 FWVZYVKVGQLGNX-ZDLGFXPLSA-N 471.491 3.991 5 40 JHBB CCOC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409373257 STKBUTVSJVQQAN-XDJZYPBNSA-N 468.465 3.648 5 40 JHBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 12525853 DHPXVRICYBTXEN-UHFFFAOYSA-N 497.938 3.864 5 40 JHBB COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc(C(=O)O)c2)cc1 13119066 LYKZSBYLTDHBEE-BKUYFWCQSA-N 461.430 3.711 5 40 JHBB CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2)c(F)c1 14080959 BESAHHVCKSYCKQ-UHFFFAOYSA-N 483.525 3.821 5 40 JHBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 104270653 JJVDMHMUIJENGR-UHFFFAOYSA-N 451.479 3.788 5 40 JHBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223086679 ZUIREZBKQGHULY-GOSISDBHSA-N 457.527 3.624 5 40 JHBB CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260917211 CSRXIZJPWRBETH-XLIONFOSSA-N 477.583 3.951 5 40 JHBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129184 MDKAWFIEKHSDSV-LFVRLGFBSA-N 486.480 3.713 5 40 JHBB biogenic CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(CC(=O)c4ccccc4)CC3)nc21 28629296 SBGYGPXZDNZTNS-UHFFFAOYSA-N 486.536 3.503 5 40 JHBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@]2(C(=O)Nc3ccccc32)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 36498579 CZOFAXAGACQLKX-ZGZOUGAKSA-N 494.507 3.609 5 40 JHBB biogenic CC[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101484396 QLOIBOOOXUQHLZ-IQGNASQBSA-N 459.502 3.852 5 40 JHBB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408662150 MQXIBVZMXMCLQI-XQJWUKNNSA-N 471.849 3.964 5 40 JHBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NCCc1ccccc1 408713736 QZFZVRYQQUITJM-UHFFFAOYSA-N 469.519 3.685 5 40 JHBB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409132908 KXLJOWWUOLTQHC-OAQYLSRUSA-N 496.593 3.742 5 40 JHBB COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)SCC3)c1 12140645 JKTLMXCHDQVLCS-UHFFFAOYSA-N 470.532 3.528 5 40 JHBB O=C(c1ccccn1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36316842 ATMIMTQWQRBXKU-WTEVXDJOSA-N 472.526 3.809 5 40 JHBB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)s1 101720251 POMPJRPENCFXCC-FRCVOOFRSA-N 477.336 3.592 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2C)n1C 108127699 VHKONHMBFVUJIK-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223806446 JEZYMVMUVJTRBS-GOSISDBHSA-N 469.538 3.767 5 40 JHBB CCOc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408566130 MXRLJPUJFGMNGY-PRPYNDMISA-N 490.354 3.768 5 40 JHBB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 8680920 CORBFAXBRCSPIW-MRXNPFEDSA-N 472.548 3.758 5 40 JHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8973686 XOXBSHLHUGXKIX-QPJJXVBHSA-N 480.468 3.977 5 40 JHBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 9509964 IDRDYPGFRXBFSM-UHFFFAOYSA-N 490.582 3.877 5 40 JHBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1OC 19856517 NTRSNMGFIMIZGK-UHFFFAOYSA-N 485.518 3.754 5 40 JHBB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102697529 BYKKAIQZBYCVGK-KZNAEPCWSA-N 491.729 3.546 5 40 JHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccccc1)N1N=Cc3ccccc3[C@@H]21 248103091 KJXRNJPGFYUPPB-UARRHKHWSA-N 480.480 3.665 5 40 JHBB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O 408639294 FNKYNILKDNMYKP-WMZOPIPTSA-N 499.479 3.911 5 40 JHBB COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 14291152 YIHVTYWUNYTJIY-UHFFFAOYSA-N 460.918 3.814 5 40 JHBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181962 WBCNNCQGMFGFOQ-MBSDFSHPSA-N 486.619 3.887 5 40 JHBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 44848467 KXCIPHPRDSJINT-UHFFFAOYSA-N 451.548 3.832 5 40 JHBB COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc([N+](=O)[O-])c1O 102780572 XSEMFIXIFJNPFI-UHFFFAOYSA-N 459.495 3.541 5 40 JHBB Cc1cc(=O)oc2cc(OCC=C3Oc4ccc([N+](=O)[O-])cc4[C@H]3N3CCOCC3)ccc12 2049286292 XSQRMLHBCDBDOT-XMMPIXPASA-N 450.447 3.738 5 40 JHBB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3314143 TYSKQSJQIDRVGE-UHFFFAOYSA-N 470.503 3.861 5 40 JHBB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccccc1 408637876 AOWMUSVQZPCXPO-LJQANCHMSA-N 487.468 3.626 5 40 JHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 6878401 TUJVQJLWLXHNHE-UHFFFAOYSA-N 458.456 3.521 5 40 JHBB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8877499 NBRPKDFJTCHMCU-UHFFFAOYSA-N 481.442 3.770 5 40 JHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20451506 GQNLNOZMPZXIDQ-UHFFFAOYSA-N 496.383 3.846 5 40 JHBB CC(C)NS(=O)(=O)c1ccc(N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 24572693 DHHYHRNFCUSVNW-INIZCTEOSA-N 489.623 3.774 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26887506 YGTSUAKMYYDKCD-CVEARBPZSA-N 469.567 3.919 5 40 JHBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408660032 WHDJSLYSFLPUFT-CBKGXOFQSA-N 499.523 3.667 5 40 JHBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 409105375 IWRNBBMWDILTMI-VXLYETTFSA-N 487.490 3.686 5 40 JHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 409123720 IHTILELNVZXGDG-UHFFFAOYSA-N 455.492 3.746 5 40 JHBB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)Sc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 12760979 YBOGIXMLQRVTPK-QGZVFWFLSA-N 467.551 3.778 5 40 JHBB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272683 OPGPTWVARWWPCP-UHFFFAOYSA-N 462.441 3.557 5 40 JHBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21 16743988 LERGGWKDQGOEMP-MRXNPFEDSA-N 465.506 3.922 5 40 JHBB Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4ncnn34)c2)n1 36619391 FGYRUQADBZORSL-UHFFFAOYSA-N 468.477 3.813 5 40 JHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC([C@H](O)c4ccccc4)CC3)c([N+](=O)[O-])c2)C1 37205259 PQLZITQHAQZBGZ-MHECFPHRSA-N 473.595 3.965 5 40 JHBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cccc1[N+](=O)[O-] 57316422 ZUPASIOBMXKYFE-UHFFFAOYSA-N 483.594 3.725 5 40 JHBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(F)c1 108917764 PBXMLWQEBQPTOD-UHFFFAOYSA-N 471.558 3.561 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 224832736 HUNNAXKVHBZRJX-UHFFFAOYSA-N 473.551 3.800 5 40 JHBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224975134 WGXZGGMCXQLGTN-UHFFFAOYSA-N 490.582 3.779 5 40 JHBB COC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)CN(Cc3ccc([N+](=O)[O-])cc3)C(C)(C)C)c12 1314340 HEMKEGRAIBMAKZ-FQEVSTJZSA-N 469.538 3.832 5 40 JHBB O=C(Nc1ccccc1[N+](=O)[O-])C(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1[N+](=O)[O-] 12531779 ADOMWZHTSLZCOA-UHFFFAOYSA-N 476.401 3.893 5 40 JHBB C[N+]1(CCNC(=O)CCCCCCC(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1 13425496 GVVTYYJPBWHCCK-UHFFFAOYSA-P 452.728 3.601 5 40 JHBB Cc1nc2ccccc2c2c(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)c3ccccc3n12 22963152 ZFQHCVKWVCHYTB-UHFFFAOYSA-N 477.532 3.637 5 40 JHBB CCCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101152783 NQSCMVHFUCQBLF-OLFWJLLRSA-N 472.545 3.984 5 40 JHBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223816759 OWBCESOJKPWRNY-FQEVSTJZSA-N 475.517 3.845 5 40 JHBB CCC1(CC)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 223916700 ROISZQJXEGTIKD-IBGZPJMESA-N 461.540 3.560 5 40 JHBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 409123417 GYDLGQGZPYXRLZ-HNNXBMFYSA-N 468.539 3.562 5 40 JHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCC)cc1 2211640 IEMDFLVVRAZUHQ-UHFFFAOYSA-N 471.517 3.887 5 40 JHBB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3277705 SPIHGRRYAVYSIO-FQEVSTJZSA-N 482.518 3.655 5 40 JHBB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2C)no1 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