smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2425641 YYGSYJHNSBXEPB-OAHLLOKOSA-N 427.508 4.962 5 40 IJBB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8984388 FQBDWCIHHANRIN-LBPRGKRZSA-N 443.916 4.826 5 40 IJBB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc([N+](=O)[O-])c1 14409836 TWQXFMQZCSDBIB-UHFFFAOYSA-N 433.493 4.757 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 15882473 MTPVBCWBMHFKJV-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216402287 GJGRNRNVGPQLFB-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 408686256 RFDWDMKEAWDJLR-QFIPXVFZSA-N 427.453 4.830 5 40 IJBB CCCOc1ccc2ccccc2c1CN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 17281627 KNHLEQDYTQIMNM-UHFFFAOYSA-N 428.510 4.577 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 19161503 NDNAMKJVCXIXJA-UHFFFAOYSA-N 428.798 4.517 5 40 IJBB CCOc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c([N+](=O)[O-])cc1OC 21046947 PLFIQGDMPKBDCQ-UHFFFAOYSA-N 428.441 4.686 5 40 IJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1 408688119 VTCNGRXCOIPIKI-JOCHJYFZSA-N 427.453 4.830 5 40 IJBB CCN1C(=O)c2cccc3c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4Cl)ccc1c23 3223859 IZQITMIAZISLBB-UHFFFAOYSA-N 440.799 4.542 5 40 IJBB O=C(N/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1CCCCC1)c1ccccc1 8441266 PUVZRLBCPZDNQN-HEHNFIMWSA-N 445.475 4.638 5 40 IJBB Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1C 12658098 FPXUJPKJJCXDJN-UHFFFAOYSA-N 433.464 4.619 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12928033 SUTJFTGYKLXTCF-UHFFFAOYSA-N 446.385 4.546 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc([N+](=O)[O-])cc3)nc21 2352791 SSHYJISBDPCBQR-UHFFFAOYSA-N 444.491 4.719 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1[N+](=O)[O-] 12769579 VASPUVQGEWMSJI-UHFFFAOYSA-N 435.484 4.621 5 40 IJBB Cc1cccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409180097 PCJGZEYROHCEDP-VWLOTQADSA-N 446.459 4.789 5 40 IJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2n[nH]c(C)n2)C(=O)O)cc1 409191476 IHQLBHMBSVJDAV-LICLKQGHSA-N 428.495 4.699 5 40 IJBB COc1ccccc1-n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2378265 LGDNRRBGLSOJJM-UHFFFAOYSA-N 447.498 4.898 5 40 IJBB O=C(NCc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015959 PAENQDFBWSZUCR-UHFFFAOYSA-N 432.785 4.943 5 40 IJBB CCC(=O)Oc1cn(-c2ccc(OC)c(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 9123892 ZHQZKDRDNWYTGW-UHFFFAOYSA-N 444.491 4.721 5 40 IJBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 9190300 LBHWZFMNSNCZRJ-UHFFFAOYSA-N 425.807 4.682 5 40 IJBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)cc1 12529124 FNAMXMYIHYVVBV-UHFFFAOYSA-N 438.509 4.970 5 40 IJBB CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC)cc1NC(=O)c1ccccc1 892305 XCLRGKDGANPFSG-UHFFFAOYSA-N 449.463 4.897 5 40 IJBB COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(-c4ccc(C)cc4)nc3oc2c1 2327318 YDQFLIMGIVQTLO-UHFFFAOYSA-N 438.483 4.730 5 40 IJBB O=C(OCc1ccccc1)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 2762285 QENKFOJWYJOILI-UHFFFAOYSA-N 433.463 4.861 5 40 IJBB Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442018 JOZXJASEYJQFSU-UHFFFAOYSA-N 437.456 4.912 5 40 IJBB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc([N+](=O)[O-])cc1Cl 12752919 FHMCVUADARGCMK-UHFFFAOYSA-N 425.876 4.876 5 40 IJBB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13135045 UJIICLOCLZEUQP-GFCCVEGCSA-N 443.506 4.609 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)cc1OC 9327945 WGMMUFYMZZBUDJ-UHFFFAOYSA-N 436.471 4.572 5 40 IJBB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc([N+](=O)[O-])c1 12321921 OAPPNENKHDAKQA-UHFFFAOYSA-N 441.509 4.508 5 40 IJBB Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-] 20483638 SGQANNJPABHGES-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1csc(Sc2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2[N+](=O)[O-])n1 3433260 YAASBFOSQKDFGO-SFHVURJKSA-N 442.566 4.544 5 40 IJBB CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16161256 HUMBXVJAUPZWQX-UHFFFAOYSA-N 430.629 4.668 5 40 IJBB O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 706432 JYERYIXEYYAAGL-UHFFFAOYSA-N 436.533 4.905 5 40 IJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2298030 OKWYQXKZKGYTBS-UHFFFAOYSA-N 427.508 4.873 5 40 IJBB COc1c(Br)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 8832282 AEFWGYIUSLEIOZ-UHFFFAOYSA-N 444.079 4.689 5 40 IJBB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)cc1 12441917 POPLCNDRBCVSKK-UHFFFAOYSA-N 433.493 4.702 5 40 IJBB CC(C)N(Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16575388 CAXYVNLIFSVRCA-UHFFFAOYSA-N 440.521 4.773 5 40 IJBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCCCC1 44086856 AMOWXGUJAXDRQR-UHFFFAOYSA-N 436.537 4.861 5 40 IJBB C[C@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1C(=O)OC(C)(C)C 72297199 JRUYLNHDNSTICF-ZDUSSCGKSA-N 449.891 4.590 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 2415768 RKMIXTYSGPGPCX-AWEZNQCLSA-N 443.507 4.580 5 40 IJBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1 2697167 PGMOKPXIUVCHPT-CXSMSNRLSA-N 426.472 4.591 5 40 IJBB COc1ccc(-c2cnn3c(-c4cccc([N+](=O)[O-])c4)c(-n4nc(C)cc4C)cnc23)cc1 8873582 GJRGOTLCECFAPJ-UHFFFAOYSA-N 440.463 4.783 5 40 IJBB Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])n1 24647102 RYAGOXWXFZBFAT-OAHLLOKOSA-N 427.507 4.765 5 40 IJBB CC[C@H](C)c1ccc([C@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)cc1 36619120 FUFNLYARMARKCG-HOTGVXAUSA-N 444.495 4.704 5 40 IJBB COc1cc(C(=O)O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408636930 WFSFFFVPZLXCGF-UHFFFAOYSA-N 436.136 4.875 5 40 IJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 3325388 MVJNKPKSQRGHNQ-CQSZACIVSA-N 440.477 4.906 5 40 IJBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1cccc(C(F)(F)F)c1 13028215 OREZGIKUMUOFMY-UHFFFAOYSA-N 439.393 4.963 5 40 IJBB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13112205 OMTCZNGRTXLPIY-CYBMUJFWSA-N 434.481 4.956 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13135117 HSAFBWBIMQDDDZ-UHFFFAOYSA-N 445.522 4.567 5 40 IJBB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 17159464 PIUOATMXBMVOEM-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408555886 ZKAQUDARZBWJSI-UHFFFAOYSA-N 435.432 4.531 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c([N+](=O)[O-])c1 2404427 NTZGNENQBYWQER-LBPRGKRZSA-N 446.442 4.610 5 40 IJBB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10672673 ZTGJCLYCMJYASM-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N[C@H](C)CCc2ccccc2)cc1 14128675 CVLRVJKOAOJCNU-GOSISDBHSA-N 434.492 4.787 5 40 IJBB COc1ccc(NC(=O)[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)cc1Cl 23042882 UDCRBSXKMIGASS-IBGZPJMESA-N 427.844 4.719 5 40 IJBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)c1 95470781 GVWZYBXCCHBUPF-UHFFFAOYSA-N 425.238 4.928 5 40 IJBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2ccccc2F)CC1 408927556 XJOITDQPWBYECM-RELWKKBWSA-N 431.467 4.623 5 40 IJBB Cc1ccc2cccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2n1 409181540 CVLVBDALYLOLEU-UHFFFAOYSA-N 448.456 4.503 5 40 IJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1C(=O)c1ccccc1 39744395 RUDCJSWUPSKMHH-UHFFFAOYSA-N 430.445 4.597 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)s1 39752370 WMGKJEJKBWFYPD-UHFFFAOYSA-N 449.448 4.519 5 40 IJBB COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC(C)C 980001 AVABCTBLPQZSTA-WQRHYEAKSA-N 428.466 4.627 5 40 IJBB O=c1c2ccccc2nc2c3ccccc3n3c(=O)c4ccccc4nc3c3ccccc3n12 2105833 LKRKXBHLLCUZPP-UHFFFAOYSA-N 440.462 4.877 5 40 IJBB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nc(C)c(C)s1)C3=O 8827406 YCJSYXBBVIAZDS-IBGZPJMESA-N 447.472 4.833 5 40 IJBB COc1ccc(C)cc1-n1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)c(C)nc21 8871127 TYIYSCDXCPACNF-UHFFFAOYSA-N 441.535 4.955 5 40 IJBB COc1ccc2c(=O)c3c(nc(-c4cccc([N+](=O)[O-])c4)n4c5ccccc5nc34)oc2c1 9002146 IHDLPOKAJGZIRD-UHFFFAOYSA-N 438.399 4.726 5 40 IJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccccc1F 11614649 MZBDDBHNXPJXEN-QFIPXVFZSA-N 430.479 4.582 5 40 IJBB Cc1ccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 19927333 KQHCMJRJDZGXQE-UHFFFAOYSA-N 433.873 4.802 5 40 IJBB CCC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176971 CSGAZPLMVOKIPH-HSZRJFAPSA-N 432.432 4.724 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)cc2[N+](=O)[O-])CC1 20142662 NFQYEKXUKQOPKS-UHFFFAOYSA-N 435.480 4.836 5 40 IJBB COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 24987344 YVJSKYCYRKDLDF-IBGZPJMESA-N 432.432 4.548 5 40 IJBB COC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc([N+](=O)[O-])c1 3298182 UXBOBYFBAYJFQK-UHFFFAOYSA-N 437.477 4.636 5 40 IJBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 9440084 KTQYGHJNIHPMKI-UHFFFAOYSA-N 443.488 4.845 5 40 IJBB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 28288755 UDBVNEVBIKYPBL-VWLOTQADSA-N 445.475 4.712 5 40 IJBB O=[N+]([O-])c1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100045986 BALQLWQVHHNXPW-FRKPEAEDSA-N 434.320 4.889 5 40 IJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 107851949 ZWDJMMAVPPZSBI-UHFFFAOYSA-N 431.857 4.644 5 40 IJBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409162982 KFVNORHKWUMRCA-SXGWCWSVSA-N 445.884 4.540 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 409241901 PDYQSZXWTCWNDW-FYJGNVAPSA-N 443.459 4.575 5 40 IJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 8837920 SAECPGVEFLJJHH-YKSBVNFPSA-N 429.432 4.608 5 40 IJBB N=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc2c(c1)OCO2 16450579 VNLGEVOHCBHZHU-OSCZZGPHSA-N 435.417 4.639 5 40 IJBB O=[N+]([O-])c1ccccc1NCCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 100202367 LDBGPNWMVUCZPY-UHFFFAOYSA-N 443.338 4.734 5 40 IJBB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c12 409353128 HEPBRQHCYAHEPV-GRSHGNNSSA-N 435.461 4.558 5 40 IJBB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 25423153 WQCXDPWPFMRHNX-UHFFFAOYSA-N 430.423 4.948 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222634426 RPFGMBYKVVQZPW-SKOKVVANSA-N 436.493 4.848 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 10187585 ULVLBAMRDZCBIQ-FMIVXFBMSA-N 434.452 4.985 5 40 IJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc(C(F)(F)F)n(C)n5)nc34)c12 17103218 ZYUZCPFCHGQADZ-UHFFFAOYSA-N 439.373 4.553 5 40 IJBB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 19630632 MGSASESLRPPMSM-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Nc1ccc(F)c(Cl)c1 89769889 NBNAOLDAFOLUMT-UHFFFAOYSA-N 427.885 4.696 5 40 IJBB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 138770114 USIXQCUDQQDGQX-UHFFFAOYSA-N 441.443 4.914 5 40 IJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 409013621 CFCXIGBVBZYHBA-LICLKQGHSA-N 441.802 4.740 5 40 IJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 2253427 UQJCIEGVWWQSCG-UHFFFAOYSA-N 439.519 4.661 5 40 IJBB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 4013087 BGCYRLBZZNVBQP-UHFFFAOYSA-N 446.481 4.716 5 40 IJBB CCOc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c([N+](=O)[O-])c1 9444181 GUHWBNXVPAROFM-UHFFFAOYSA-N 430.464 4.573 5 40 IJBB Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2)n1 13401539 TUXRLOLBCZKKDA-UHFFFAOYSA-N 426.523 4.716 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 17097206 JCLWMGXEMQBNHY-FNORWQNLSA-N 430.829 4.932 5 40 IJBB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1F 58174733 UWLXMTXBEHLMFY-FQEVSTJZSA-N 441.846 4.887 5 40 IJBB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccccc1 95971815 AJFGDFYGIQTZGI-CYBMUJFWSA-N 425.391 4.616 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408671812 LHVWHJVHLYKYFN-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)c(C)c2)cc1 822229 XCUCXXGMZJVQHJ-HZHRSRAPSA-N 429.476 4.930 5 40 IJBB COc1ccc(Cn2c(-c3ccccc3Cl)nc3oc4ccccc4c(=O)c3c2=O)cc1 2352822 IARLMZVFLWMMCQ-UHFFFAOYSA-N 444.874 4.880 5 40 IJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)N1CCc2ccccc2C1 9441531 XFVZXQHGYFIIOP-UHFFFAOYSA-N 444.516 4.611 5 40 IJBB Cc1cc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)ccc1[N+](=O)[O-] 13012493 JGNXVMZFZKRHFY-UHFFFAOYSA-N 435.505 4.724 5 40 IJBB Cc1c(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] 15125405 NZHVKMHYTZYJSB-UHFFFAOYSA-N 432.196 4.735 5 40 IJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)ccc1Cl 17095287 HNVKVPXXLHGRKG-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 19927452 NNTVENALGSCWID-UHFFFAOYSA-N 439.280 4.991 5 40 IJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2308316 WXBBRSZUWPQSPG-UHFFFAOYSA-N 431.499 4.835 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Br 2753466 ZKYOIMLHRVWHRD-FPYGCLRLSA-N 426.064 4.772 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 9287733 JBDNENXGOGSNMV-LJQANCHMSA-N 436.807 4.693 5 40 IJBB COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9469277 MLYSDGRCOLNKIV-UHFFFAOYSA-N 444.702 4.526 5 40 IJBB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 12226056 KRKFWSOEPTVBPL-UHFFFAOYSA-N 427.766 4.868 5 40 IJBB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)COc1ccccc1[N+](=O)[O-] 12818430 UXTDGEYMLPVVOU-UHFFFAOYSA-N 445.269 4.655 5 40 IJBB Cc1cc(C)cc(NC(=O)c2c(N)n(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 226819958 LBGPUZXOFBKUAP-UHFFFAOYSA-N 428.448 4.689 5 40 IJBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1[N+](=O)[O-] 9014147 FZVHLFSWMWQPON-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ncc(-c2ccc(F)cc2)o1 11497398 IKQJCKABZVDQIE-UHFFFAOYSA-N 428.419 4.692 5 40 IJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nnc(C)o2)C(=O)O)cc1 408632026 BZUJTAKLSILHBE-LICLKQGHSA-N 429.479 4.964 5 40 IJBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccccc1Sc1ccc(Cl)cc1 3303669 ABBPELWYNZGKDF-UHFFFAOYSA-N 432.841 4.788 5 40 IJBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)NC2CCCCC2)C1 8636104 VWAGPMLAWAVPOL-IEBWSBKVSA-N 439.585 4.606 5 40 IJBB biogenic,in-vitro Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCc1ccccc1)C3=O 9347672 DQNFWCWQZIEEIF-QHCPKHFHSA-N 440.455 4.798 5 40 IJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 12561618 XMWZKNZIBMDOBD-YKSBVNFPSA-N 429.432 4.608 5 40 IJBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 23384807 RHEIFBUQCCRRNV-XMMPIXPASA-N 431.492 4.924 5 40 IJBB CCCN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409353049 YAEIRFQEELDPEK-LICLKQGHSA-N 429.410 4.742 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 27833311 LTMQPIBUMRCZCT-UHFFFAOYSA-N 444.310 4.946 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)cc1 40398811 HIHMHMFKFHGGBU-XDHUDOTRSA-N 429.520 4.520 5 40 IJBB CCOc1ccc(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408535141 XTAPUNHPWKRLOB-UHFFFAOYSA-N 431.448 4.548 5 40 IJBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N(CCO)c1ccccc1 408977565 WRMLRSGRCHEZAC-UHFFFAOYSA-N 445.482 4.519 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 2434711 FJJFTKZPCASRJN-AWEZNQCLSA-N 443.507 4.580 5 40 IJBB CC(C)Cn1c(-c2ccc(Cl)cc2Cl)nc2c(c(=O)c3ccccc3n2C)c1=O 9302965 KRMIPXAPKCJCQP-UHFFFAOYSA-N 428.319 4.878 5 40 IJBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11073823 UNCDFTMMMHHDNV-UHFFFAOYSA-N 426.270 4.768 5 40 IJBB CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC 12796824 MDEOMWKTJWXSQP-CQSZACIVSA-N 441.509 4.632 5 40 IJBB Cc1cc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n2nc(C)c(-c3ccccc3)c2n1 2217118 DWMUCJSIAQJBSV-UHFFFAOYSA-N 433.493 4.652 5 40 IJBB Cc1csc(Sc2ccc(C(=O)OCc3nc(C(C)(C)C)no3)cc2[N+](=O)[O-])n1 40051177 WYGVVPXDDQKQKD-UHFFFAOYSA-N 434.499 4.548 5 40 IJBB O=[N+]([O-])c1ccc(Nc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 100511310 WOSYJLYORHUVDG-UHFFFAOYSA-N 440.328 4.807 5 40 IJBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 214319551 HPACRYXWHNBKDJ-UDWIEESQSA-N 437.452 4.820 5 40 IJBB COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c(OC)c1 2235086 ZJNYLMIKPTUXCS-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)cnc32)cc1 2303453 RPKLZUAEMUTHEE-UHFFFAOYSA-N 447.498 4.731 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 9161399 VMEZCIRVHZAMFN-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2n1 5881948 GBMSCNJGXUBIFL-UHFFFAOYSA-N 428.901 4.560 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cc1F 8832255 GKBUYEASJBXEBR-QHHAFSJGSA-N 446.603 4.644 5 40 IJBB Cc1nc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]c1-c1ccccc1 9191749 RTDPAKSSGIMRKH-UHFFFAOYSA-N 425.495 4.634 5 40 IJBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14271958 PYDPTPNJMINIDI-UHFFFAOYSA-N 443.463 4.959 5 40 IJBB COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1-c1ccc(CO)o1 20140552 WHUBZVSMJGIUAX-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c1 20796065 UUBFQOANSXYGIH-KRWDZBQOSA-N 445.504 4.546 5 40 IJBB O=C1CCc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)n3)ccc2N1 21833658 UHENNEZUZONGNG-UHFFFAOYSA-N 428.857 4.509 5 40 IJBB COCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2439037 PKMCGEGXGOJSHN-UHFFFAOYSA-N 448.519 4.513 5 40 IJBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1C[C@H]1CCCO1 2620398 QGVQIDPLUGPHON-OAHLLOKOSA-N 431.539 4.777 5 40 IJBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)oc2c1 9064896 TUKPOJVBOGSNLQ-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB O=[N+]([O-])c1ccc(/C=C\[C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 15947380 KBNAAPDHVVBNHO-OMCJBDSBSA-N 446.532 4.984 5 40 IJBB CC1=C(C(=O)OC(C)C)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 9289249 IAYJICHGIWOWDZ-LJQANCHMSA-N 426.860 4.838 5 40 IJBB O=[N+]([O-])c1cccc(/C=C\[C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1 15947372 OAXGUCMUDYFMLK-YUQDSPFASA-N 446.532 4.984 5 40 IJBB Cc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 35074710 QIBWGXKYLRYKPJ-UHFFFAOYSA-N 438.490 4.900 5 40 IJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c(C)c1 408695328 PYUOOSOYHYKSQG-UHFFFAOYSA-N 431.427 4.851 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1 214700008 OWXKTTZYLJQOIY-XDHOZWIPSA-N 449.444 4.530 5 40 IJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408560288 YMJMMTRICFVNFF-UHFFFAOYSA-N 441.871 4.886 5 40 IJBB COc1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c([N+](=O)[O-])cc1OC 3370488 QBXNKWZSSYKOFM-UHFFFAOYSA-N 444.484 4.654 5 40 IJBB CC(C)(C)CNc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] 13632936 SMFFLOFPXHCNAG-UHFFFAOYSA-N 436.512 4.761 5 40 IJBB CCOc1ccc(Nc2nc(Nc3ccc(OC)cc3OC)nc(C)c2[N+](=O)[O-])cc1 16691778 WGQWQFJWAYAQHM-UHFFFAOYSA-N 425.445 4.596 5 40 IJBB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17095024 USTPYKNKEWFCQQ-UHFFFAOYSA-N 426.542 4.835 5 40 IJBB COC(=O)c1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(c1)Oc1nc3ccccc3nc1O2 984204 GMIAIXBMHKRQTP-UHFFFAOYSA-N 445.387 4.802 5 40 IJBB O=C1NC(S)=N/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 1220700 IGWNLLMCDZHXFC-IZZDOVSWSA-N 443.790 4.816 5 40 IJBB aggregator CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2359021 WKZFOIKWXARRGF-NRFANRHFSA-N 445.471 4.865 5 40 IJBB Cc1cc(C)c2oc(-c3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3O)nc2c1 9420561 BCXBWSJYGPIGTH-UHFFFAOYSA-N 433.420 4.743 5 40 IJBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235505 BZRDBWFKZFPAMA-UHFFFAOYSA-N 431.901 4.643 5 40 IJBB COC(=O)c1ccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13749683 IRIFTAIIXPTRIT-GGAORHGYSA-N 429.432 4.624 5 40 IJBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F 16228291 HZTQYBJERTUVAB-UHFFFAOYSA-N 425.460 4.523 5 40 IJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1C 409359591 NBJZTSPKFKJJSO-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8741177 FXZXUWQRXODLNR-UHFFFAOYSA-N 429.436 4.651 5 40 IJBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCCc1c[nH]c2ccccc12 8790851 GIOYKNPTIPKEMU-MRXNPFEDSA-N 426.472 4.554 5 40 IJBB biogenic O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(N2CCCCC2)cc1 9155432 FFOBXHJBPKOJNS-UHFFFAOYSA-N 428.539 4.926 5 40 IJBB COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1Cl 14716654 FPGSKDUPCYGYCH-UHFFFAOYSA-N 433.892 4.754 5 40 IJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 17097714 QUHHXJNHWVLZJR-UHFFFAOYSA-N 431.857 4.644 5 40 IJBB COc1ccc(Br)cc1CSCc1cc([N+](=O)[O-])cc2c1OCOC2 19218605 UAZCMOVTIIXPAS-UHFFFAOYSA-N 426.288 4.666 5 40 IJBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1ccc(Cl)cc1Cl 14900826 WKJORCQCECCLJA-UHFFFAOYSA-N 434.283 4.587 5 40 IJBB CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C 409183045 QMUSYNYRWPELDS-HSZRJFAPSA-N 432.432 4.643 5 40 IJBB CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409221132 LHASWHXQYKKZAX-YBFXNURJSA-N 428.466 4.629 5 40 IJBB CCOP(=O)(OCC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 8868927 SNKKBKNTAYEYPA-UHFFFAOYSA-N 445.412 4.677 5 40 IJBB O=C(Nc1ccccc1C(=O)OCC(=O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 10219567 PARSZLGRYXNIGP-UHFFFAOYSA-N 444.871 4.807 5 40 IJBB Cc1ccc(-c2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)n2-c2ccccc2)cc1 16769696 VVFJRLGQIMVHTB-UHFFFAOYSA-N 445.504 4.926 5 40 IJBB Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] 36611138 OONYATIMMUZOSM-KRWDZBQOSA-N 443.507 4.738 5 40 IJBB Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224006142 LCBIMQYAPZJBPM-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409181020 YJSUTLKVYUOQNF-RUZDIDTESA-N 446.459 4.789 5 40 IJBB O=C(OCCCCCCCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4991630 PMOWJGDORYSNKC-UHFFFAOYSA-N 444.440 4.857 5 40 IJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 19928278 RTSALPFSGODVFU-UHFFFAOYSA-N 445.932 4.874 5 40 IJBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(Cl)c1 108979823 SCLQNVBXVPUIPR-UHFFFAOYSA-N 442.947 4.509 5 40 IJBB CCCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)n[nH]1 408631845 MEWDVOULYLHKEH-DHDCSXOGSA-N 434.861 4.797 5 40 IJBB Cc1cc(C)c2oc(-c3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 9340213 FSNWMGJSBKTZHN-UHFFFAOYSA-N 433.420 4.743 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 14128921 PXTCFOZNYHGWSO-INIZCTEOSA-N 434.448 4.879 5 40 IJBB CCOc1ccccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 16045572 PRBPGPFJUYVSSO-UHFFFAOYSA-N 433.493 4.929 5 40 IJBB CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(O)c([N+](=O)[O-])c1 16322987 IYFJJTDVCUSZMT-UHFFFAOYSA-N 438.234 4.521 5 40 IJBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 22239301 SAFUDDPKDOOQRG-MRXNPFEDSA-N 427.529 4.984 5 40 IJBB COc1ccc(CCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 408905950 BGETZEURGQYJNS-CJLVFECKSA-N 432.476 4.512 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 2462578 PCAIBVHXWRZHFH-MLCYQJTMSA-N 429.498 4.965 5 40 IJBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)c(C)nc32)cc1 2313705 NQAXNZHFNWKORP-UHFFFAOYSA-N 441.535 4.581 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2405627 ABTJXNPWVXBOIZ-HNNXBMFYSA-N 427.508 4.631 5 40 IJBB C[C@@H]1C[N+](Cc2ccccc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 226701278 NECWCHVSDQSFPJ-AZSVPQILSA-N 432.584 4.918 5 40 IJBB COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408542451 JNEQZATXPHMTOA-VURMDHGXSA-N 442.340 4.679 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409168697 ROSHHWXKAKPSBX-GZTJUZNOSA-N 439.811 4.614 5 40 IJBB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16044838 PTZOFLJJMRNFBC-SNVBAGLBSA-N 428.388 4.504 5 40 IJBB Cc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 16789479 AJGZDFKNFPXCHL-UHFFFAOYSA-N 431.477 4.521 5 40 IJBB CCc1cc(N[C@H](C)c2nc(-c3ccccc3OC)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 72307644 MAVQKIURHKKOAU-CQSZACIVSA-N 446.467 4.846 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1-c1cccc(Cl)c1 976471 JJXPOORLSAZLDM-LBPRGKRZSA-N 431.905 4.565 5 40 IJBB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2616945 GQLLBVRWDVFHCU-NSHDSACASA-N 449.945 4.831 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C)n1-c1cccc(Cl)c1 6280779 JJXPOORLSAZLDM-GFCCVEGCSA-N 431.905 4.565 5 40 IJBB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc([N+](=O)[O-])cc3)c2c1 9308186 FGTQDYZNHBYEGF-AWNIVKPZSA-N 438.443 4.954 5 40 IJBB COc1cccc(C2(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCCC2)c1 13566032 FQEHWPFASMXLQY-UHFFFAOYSA-N 426.516 4.749 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OC 106722151 ZNKQNCQELIOWPD-SXGWCWSVSA-N 434.857 4.502 5 40 IJBB C[C@@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@@H]3[C@@H](C(=O)N(c3ccccc3)c3ccccc3)[C@@H]12 606303128 JNMZYVOWRZCJKC-XZYAAEDUSA-N 446.503 4.531 5 40 IJBB COc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 10254289 AQMOMIGYCSDHNW-VMPITWQZSA-N 446.488 4.855 5 40 IJBB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 19927540 CFFPYQAOKAOHNV-UHFFFAOYSA-N 438.296 4.726 5 40 IJBB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 25535002 WSUNPMAWFMWNEQ-VXGBXAGGSA-N 441.709 4.998 5 40 IJBB Cn1ccnc1[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 29068818 SNWKPANSYCETLB-JOCHJYFZSA-N 427.464 4.591 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031972 PMFDPILGNOMNMT-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 8396172 IYRPCQSGTJAFMV-BUVRLJJBSA-N 435.483 4.833 5 40 IJBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC 408638589 SIIUITUSBGUARO-UHFFFAOYSA-N 432.889 4.510 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 2302603 RXRRMUDZCBXADP-UHFFFAOYSA-N 447.498 4.649 5 40 IJBB COc1cc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)cc1[N+](=O)[O-] 9096939 KILYSIUJGRBPTN-UHFFFAOYSA-N 446.887 4.559 5 40 IJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 32118889 HMRUPCRFLVBMGX-UHFFFAOYSA-N 428.539 4.982 5 40 IJBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])cc1C 408918051 FNRUCCWREOJEFG-PGAZUGQPSA-N 438.483 4.782 5 40 IJBB Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142614 LIQKKIQIEPMLFQ-UHFFFAOYSA-N 435.480 4.898 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 216050687 HEJXOCLHWIHYJQ-UHFFFAOYSA-N 438.296 4.726 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 224527397 WTRGXKXWQGBNRG-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cc(OC)ccc1OC 408831253 QLCHEVAKSJIQRH-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1CCc1ccccc1 2311135 SULQFVPYKRKCPS-UHFFFAOYSA-N 445.526 4.780 5 40 IJBB Cc1c(O)ccc2c1oc1c(-c3ccccc3OCC(=O)O)c3c(O)nn(C(C)C)c3nc12 79501704 PDPIZWGFOORIAQ-UHFFFAOYSA-N 447.447 4.762 5 40 IJBB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 17095017 VYYZWRVNIQGQLO-UHFFFAOYSA-N 426.542 4.637 5 40 IJBB Cc1c(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cccc1[N+](=O)[O-] 3222084 WXDORVXFCWDKEN-UHFFFAOYSA-N 447.472 4.975 5 40 IJBB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2)cc1 6973578 CBBWFONUKFKTPV-UHFFFAOYSA-N 426.856 4.869 5 40 IJBB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C 14405411 VBSRURRSDAEOML-UHFFFAOYSA-N 435.484 4.713 5 40 IJBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610263 IXFWUXYPMYSZEB-UHFFFAOYSA-N 437.843 4.633 5 40 IJBB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408675635 KALKGCIENZGPBY-UHFFFAOYSA-N 429.432 4.653 5 40 IJBB O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 409332729 LTTSLCACRAVDNU-WNXIRNOKSA-N 442.471 4.988 5 40 IJBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2052039 DXGWQWYXSUCUDO-UYRXBGFRSA-N 448.818 4.812 5 40 IJBB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9466948 JDMPXJBABPCRQK-UHFFFAOYSA-N 449.385 4.600 5 40 IJBB COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20140673 NKDGIGLMSFGWQO-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223797588 HMBNRFQSUZNTAN-FQEVSTJZSA-N 445.947 4.514 5 40 IJBB CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])cc1C(C)=O 408583974 ZAGBNXXJJFJAGS-UHFFFAOYSA-N 432.889 4.792 5 40 IJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccccc1OCc1ccc(Cl)cc1Cl 409317096 NZONNJAZSGYTET-VURMDHGXSA-N 434.235 4.852 5 40 IJBB CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 3404106 DXMVUBDUPBJFLH-QFIPXVFZSA-N 428.492 4.704 5 40 IJBB Cc1ccc(C(=O)c2noc(-c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 3848928 WLBRJGCWYZJBEZ-UHFFFAOYSA-N 448.456 4.622 5 40 IJBB biogenic CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 14405267 BCXJUENHUKZKEO-UHFFFAOYSA-N 435.484 4.713 5 40 IJBB COc1ccc(NC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)c([N+](=O)[O-])c1 72260250 NKQWYEZVKDIRQS-UHFFFAOYSA-N 441.443 4.878 5 40 IJBB COc1ccc(-c2noc(-c3ccc(NCc4ccccc4OC)c([N+](=O)[O-])c3)n2)cc1 8586918 NSVDTLDPXWSCBK-UHFFFAOYSA-N 432.436 4.941 5 40 IJBB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10314873 JQZJSHJAHVMSCX-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 13095811 VMUXRBUEMMQJRQ-UHFFFAOYSA-N 426.207 4.629 5 40 IJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 16227007 FSMZNBIMLTUXDX-UHFFFAOYSA-N 435.461 4.898 5 40 IJBB COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 1166914 MJUDFZQXZJPCBJ-SXGWCWSVSA-N 449.282 4.602 5 40 IJBB Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)c1 40398733 XEWVRMVHPGKJOZ-UHFFFAOYSA-N 427.891 4.960 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225024529 SKWUUEJJIFXNCQ-YADHBBJMSA-N 433.537 4.696 5 40 IJBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408562753 SACKCSFXWHKUPL-FCQUAONHSA-N 425.510 4.765 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 408643226 QOSRZMIAJCZFDT-KRWDZBQOSA-N 431.448 4.687 5 40 IJBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 408923435 CPBTVZSPFVFJGJ-HKOYGPOVSA-N 431.467 4.623 5 40 IJBB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8687615 BJENLVAGPSSPAG-JOCHJYFZSA-N 429.388 4.998 5 40 IJBB aggregator O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2ccccc2Br)s1 12791250 KJGSFTQMXGGSMB-UHFFFAOYSA-N 432.299 4.586 5 40 IJBB COc1ccc(NC(=O)[C@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)cc1Cl 23042883 UDCRBSXKMIGASS-LJQANCHMSA-N 427.844 4.719 5 40 IJBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 33941956 PZXSRHJKEUNMJI-UHFFFAOYSA-N 443.488 4.845 5 40 IJBB COc1cc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1 11128346 YLZLXLWOQMLWAQ-UHFFFAOYSA-N 432.904 4.750 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(CCc1ccccc1)CCc1ccccc1 15982220 XEEMOGFXZGUXEJ-FQEVSTJZSA-N 447.535 4.718 5 40 IJBB COc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 408810320 KHXBHUNHSJCYBM-ZROIWOOFSA-N 435.255 4.607 5 40 IJBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 1962730 BKJOOUPHFAANJJ-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9283934 XVFQGYKKLFPCNJ-SECBINFHSA-N 447.658 4.504 5 40 IJBB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C 10120456 LXZKIQAWDNBJRP-UHFFFAOYSA-N 431.448 4.715 5 40 IJBB O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2030754 FENOYOLGZCBVFT-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2434270 SFQXZSHKCCBIQB-MRXNPFEDSA-N 427.508 4.517 5 40 IJBB Cc1ccc2nc(NC(=O)[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)sc2c1 3429692 CFYMAWQRJLZGNR-KRWDZBQOSA-N 446.916 4.559 5 40 IJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)CC1 20142858 ZQIZKTDOOJSXTI-UHFFFAOYSA-N 435.480 4.836 5 40 IJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 57313364 PTYGYDRCECKTJB-UHFFFAOYSA-N 432.864 4.953 5 40 IJBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1[N+](=O)[O-] 2629654 INNBGWQKDCFQEK-UHFFFAOYSA-N 431.404 4.507 5 40 IJBB COc1ccc2c(C)cc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc2c1 9714396 DVOLDBJAYBQSHC-CYBMUJFWSA-N 427.482 4.588 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 13897808 KCGNRNQUNPOCII-QHCPKHFHSA-N 433.489 4.621 5 40 IJBB O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 100528113 UEVWNWCIDININE-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB O=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 16769232 YDWHXUVMMXSOSO-UHFFFAOYSA-N 434.315 4.540 5 40 IJBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC 225757043 YCXIWZYZQZYFPF-UHFFFAOYSA-N 426.469 4.621 5 40 IJBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1 408696069 VTOAOGMTZWXAAU-UHFFFAOYSA-N 447.426 4.633 5 40 IJBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCS[C@H]1c1ccc2c3c(cccc13)CC2 8834481 CJRLJNCTPTWBNT-QFIPXVFZSA-N 435.461 4.643 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 9553896 KCGNRNQUNPOCII-HSZRJFAPSA-N 433.489 4.621 5 40 IJBB COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1 12532787 ROFUIKMJGYYEAN-UHFFFAOYSA-N 433.873 4.801 5 40 IJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142798 BNCPYIFMFNPJOI-UHFFFAOYSA-N 435.480 4.898 5 40 IJBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20609871 CFTGYQKIZPTVQA-UHFFFAOYSA-N 442.479 4.571 5 40 IJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 408906497 BZXOKGUYWZNXGR-UHFFFAOYSA-N 447.472 4.801 5 40 IJBB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 409197696 MGMRQGYAQXSWRU-XDOYNYLZSA-N 431.901 4.763 5 40 IJBB CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409251774 WCGMKOYNGGRMTB-XNTDXEJSSA-N 435.358 4.709 5 40 IJBB COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCc1ccccc1F 669557 NYDAUCOENAIRMK-NDENLUEZSA-N 448.406 4.666 5 40 IJBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2502532 OJGVAUZCUVHLRE-HXUWFJFHSA-N 429.885 4.563 5 40 IJBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408552600 KENVWXIULGCVOU-UHFFFAOYSA-N 449.459 4.921 5 40 IJBB Cc1cccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409180094 PCJGZEYROHCEDP-RUZDIDTESA-N 446.459 4.789 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2[C@H](C)c2ccccc2)cc1 2346660 BNPIMNVCQBCVII-QGZVFWFLSA-N 437.499 4.533 5 40 IJBB COc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] 3442644 WURGZZDWJZJQPI-UHFFFAOYSA-N 436.445 4.590 5 40 IJBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 5395375 BSMLWDXWNTWPJV-UHFFFAOYSA-N 442.236 4.764 5 40 IJBB Nc1c(Br)cc2[nH]c(=O)c3cc(Br)ccc3c2c1Br 8627890 ULWPPXBIYOKUPE-UHFFFAOYSA-N 446.924 4.551 5 40 IJBB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 8818355 UHLUCINLQCFLMV-UHFFFAOYSA-N 432.432 4.944 5 40 IJBB COc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 10187615 HLRIOMJIRNCPDP-DHZHZOJOSA-N 446.488 4.855 5 40 IJBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 19927291 HEDRZLSDSSQLOD-UHFFFAOYSA-N 447.314 4.611 5 40 IJBB COc1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)cc1[N+](=O)[O-] 9119645 FGICITDCRGOETH-UHFFFAOYSA-N 435.811 4.710 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 33698579 MIJMIPPHMREABD-LQDNNDEMSA-N 444.874 4.819 5 40 IJBB Cc1c(C)n(Cc2ccccc2)c2ccc(-c3nnc(CCn4cc([N+](=O)[O-])cn4)o3)cc12 2791688 IVTLLWNWXKMODU-UHFFFAOYSA-N 442.479 4.704 5 40 IJBB COc1ccc(C(=O)OCC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)cc1[N+](=O)[O-] 13004717 IRINJLJZHRGBFN-UHFFFAOYSA-N 440.496 4.952 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 17099806 CWWPPUPANRSFCR-JTQLQIEISA-N 435.933 4.812 5 40 IJBB COc1ccc(Br)cc1-c1nc(COc2ccc(C)nc2[N+](=O)[O-])cs1 18400691 QQKREILLZCROHY-UHFFFAOYSA-N 436.287 4.772 5 40 IJBB CCc1nc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 24147843 GRWTZIUIUKHRMV-UHFFFAOYSA-N 443.447 4.592 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1Cl 95470782 RBIYNRGEFVFPAR-UHFFFAOYSA-N 431.629 4.965 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N+](=O)[O-] 108240213 PFADXRRIBDXXHI-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408611611 UKSOKTXADVEONB-UHFFFAOYSA-N 427.932 4.767 5 40 IJBB Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)c(Cl)c1 408687529 UOBFBZBUKILTFK-UHFFFAOYSA-N 446.290 4.981 5 40 IJBB COc1cc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc(OC)c1OC 408977668 XDHBXYYWBAUIGX-UHFFFAOYSA-N 429.432 4.509 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1C 9226694 AFPMWZLHONEXAP-KRWDZBQOSA-N 433.464 4.870 5 40 IJBB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 9616785 LAFLNQOEPSGOIC-LBPRGKRZSA-N 445.526 4.708 5 40 IJBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC 12764739 WAEVUSSUDMBJNV-AWEZNQCLSA-N 441.509 4.632 5 40 IJBB O=C1N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409098264 PAKMHAIGERURPP-UDWIEESQSA-N 449.850 4.925 5 40 IJBB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 9381062 GHCSNHXWPNEZMH-UHFFFAOYSA-N 445.500 4.964 5 40 IJBB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 14272969 OGRQSDIOBJIJFC-UHFFFAOYSA-N 444.079 4.689 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 17101719 LMPXFYPSSAEPNE-WTDSWWLTSA-N 437.818 4.773 5 40 IJBB O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc2ccccc2c1 20095286 GENTZCMUMLWISV-UHFFFAOYSA-N 432.432 4.510 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 218408338 KIJLYAVTNBWCIK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=[N+]([O-])c1ccc2oc(-c3cc(I)ccc3Br)nc2c1 226248731 MMXHZCWNQQKYFB-UHFFFAOYSA-N 445.010 4.770 5 40 IJBB O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@]2(CCc3ccccc3O2)C1 577993287 YTQDKJZPQSFEHV-SANMLTNESA-N 446.453 4.569 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 2257556 KOXNZCWAOVOWEK-UHFFFAOYSA-N 447.498 4.649 5 40 IJBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 9125155 PBRYMMSESQMHDA-UHFFFAOYSA-N 445.504 4.718 5 40 IJBB COc1cc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)ccc1OC(F)F 13643734 CFJGOJJQVYOUOZ-UHFFFAOYSA-N 427.436 4.781 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224178011 XVPUCQVBUICMDJ-PKTZIBPZSA-N 441.516 4.958 5 40 IJBB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226341597 VKTAYQMIJKGXMP-QPJJXVBHSA-N 426.650 4.776 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 9316957 UXUHXIZLDSOURB-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 10010629 RWFOTUHUQZSMGZ-UHFFFAOYSA-N 440.393 4.634 5 40 IJBB Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2cc1Cl 16284270 RMEPFLXAFILXIX-UHFFFAOYSA-N 441.321 4.947 5 40 IJBB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17095001 YIPPEVLSEHKHTM-OAHLLOKOSA-N 426.542 4.835 5 40 IJBB O=C(/C=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 35375753 PBIZUFPQMPQVSN-PKNBQFBNSA-N 444.516 4.994 5 40 IJBB O=[N+]([O-])c1ccc2nc(NCCCNc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 59461260 QCUZTLIJMZXZDQ-UHFFFAOYSA-N 430.471 4.637 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 408917950 DCNOCYLOZJPPCV-LQDNNDEMSA-N 444.874 4.650 5 40 IJBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2502531 OJGVAUZCUVHLRE-FQEVSTJZSA-N 429.885 4.563 5 40 IJBB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408637784 ABSIYVNWTZSSMF-SFHVURJKSA-N 445.475 4.996 5 40 IJBB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3192773 WTPMMQQVKKTUBU-BOPFTXTBSA-N 439.221 4.962 5 40 IJBB COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c(OC)c1 6148259 UAVVDEZHSFQYIN-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1cccc(Cl)c1 9252619 IXJNZDQQZXSMFG-UHFFFAOYSA-N 427.891 4.866 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 408564146 SADBPSMLXBUKTI-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 12517160 WFPXLOAGJBHUHZ-CYBMUJFWSA-N 439.409 4.847 5 40 IJBB O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)NCc1ccc(F)cc1 12844365 DEKYQOIXZHPZNF-TWGQIWQCSA-N 437.383 4.764 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 13552444 INGNBOWBXDLSJJ-UJKMTWAASA-N 430.847 4.645 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1cc(Cl)ccc1O 95470814 XLWRXEHSEVOGHP-UHFFFAOYSA-N 447.628 4.670 5 40 IJBB O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 101127460 WOHVOOVYGXTEPL-OAQYLSRUSA-N 425.444 4.645 5 40 IJBB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408678556 SQFPAUKKDAHNDP-UHFFFAOYSA-N 429.432 4.653 5 40 IJBB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9166854 GUSINYJEBAONKL-GFCCVEGCSA-N 437.433 4.649 5 40 IJBB COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N32)cc1 9319565 RSBJEZXJRKBQLG-ZFFYZDHPSA-N 426.472 4.591 5 40 IJBB CSc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] 12628356 JDCYGZYHCDTQND-IBGZPJMESA-N 446.532 4.917 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 15633885 VAUIHBAVHCMSLK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 16284284 GCXFZBIVJKNOMJ-UHFFFAOYSA-N 441.321 4.947 5 40 IJBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32931845 MQZXHNQXMPOVTP-HRAATJIYSA-N 435.505 4.572 5 40 IJBB Cc1ccc(CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 214596984 JSOFYMDTIRGRAE-FYJGNVAPSA-N 433.489 4.990 5 40 IJBB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 408815996 KBPCHSWAGJOOKM-SXGWCWSVSA-N 449.282 4.602 5 40 IJBB COC(=O)c1cc(-c2nnc(-c3ccc(COc4ccccc4)cc3)o2)cc([N+](=O)[O-])c1 3534497 PZORMDSMNJCQTG-UHFFFAOYSA-N 431.404 4.677 5 40 IJBB Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 9190285 DYDWZELVSNFBPR-UHFFFAOYSA-N 448.479 4.991 5 40 IJBB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 59437943 NHNLYCKKGMLDAA-UHFFFAOYSA-N 434.688 4.690 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408633894 MWUXMPXCJILTSR-ODLFYWEKSA-N 437.433 4.958 5 40 IJBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCc1ccc(Cl)cc1Cl 3448403 UQUMZWXDDLFCSF-UHFFFAOYSA-N 449.246 4.635 5 40 IJBB Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1-c1cc2ccccc2oc1=O 10128865 OVXACJAICVZKSP-UHFFFAOYSA-N 430.416 4.694 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2Br)cc1 27260955 RXMIPBLWHSNYCS-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 408577331 YTTVGECBPDBQNU-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOC(=O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 2214473 CAKYRMDVHHZKNJ-UHFFFAOYSA-N 439.431 4.721 5 40 IJBB COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1[N+](=O)[O-] 10120366 DSCUNZPSUNVISE-UHFFFAOYSA-N 431.448 4.958 5 40 IJBB Cc1ccc2oc(=O)c3c(C)nc4[nH]n(-c5cc(Cl)ccc5Cl)c(=O)c4c3c2c1 20102568 MEQBWYCZBPPJMA-UHFFFAOYSA-N 426.259 4.897 5 40 IJBB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107847765 BYONWJJRTQVWBT-UHFFFAOYSA-N 431.857 4.644 5 40 IJBB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 223651633 SNWNPBGNTODRCB-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408737687 VDOBPRWKLLKMTK-UYRXBGFRSA-N 448.818 4.812 5 40 IJBB C[C@@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2330155 ZHPZYFRLPKFCEE-SFHVURJKSA-N 431.499 4.952 5 40 IJBB CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 2080092 OOOXSRREYCNUAM-NSHDSACASA-N 447.469 4.507 5 40 IJBB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2955875 GAHSAJMBXCYYOE-RGVLZGJSSA-N 448.818 4.812 5 40 IJBB COc1cc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8587035 SCOVWECRMDKIED-UHFFFAOYSA-N 440.456 4.692 5 40 IJBB aggregator O=c1[nH]nc(-c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc12 9191270 FFMMNBBLSAMRTH-UHFFFAOYSA-N 440.503 4.957 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20611840 DQXUFPZCJXDQHF-UHFFFAOYSA-N 445.834 4.736 5 40 IJBB CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc23)S[C@@H]2CCCC[C@@H]12 85344909 JGGOUPGQNMDPGI-AUUYWEPGSA-N 433.533 4.593 5 40 IJBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCOc1ccccc1 106764584 RGIJSUIJGDGDDZ-ZHZULCJRSA-N 436.445 4.970 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 408639106 FGZGGARDCLAVBY-KRWDZBQOSA-N 431.448 4.687 5 40 IJBB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12844817 LBEKPYOTYNOWPN-UHFFFAOYSA-N 438.387 4.703 5 40 IJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 19928810 WMGAPNCOGRVNAZ-UHFFFAOYSA-N 445.932 4.874 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224890275 ISBFXGIINWBZHM-UHFFFAOYSA-N 430.258 4.892 5 40 IJBB O=[N+]([O-])c1c(O)nc(/C=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)nc1O 409348403 SJWXSMNZGYODFG-HJWRWDBZSA-N 440.818 4.762 5 40 IJBB CC[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n12 9473212 GHWWMEVJZQFABI-LBPRGKRZSA-N 443.370 4.805 5 40 IJBB Cc1ccc(S[C@@]2(CN3CCCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 16310855 LEJWKCQVRFPBQJ-QHCPKHFHSA-N 426.538 4.804 5 40 IJBB COc1cc(OC)cc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 2240351 VUNLDKFJTUYBRJ-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB CCOc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1OC 12995212 QNEWDWSWIFVSJO-UHFFFAOYSA-N 441.509 4.632 5 40 IJBB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 8903232 SNTZXLLPPDOJCY-JXMROGBWSA-N 425.466 4.813 5 40 IJBB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 14009418 CFFFRPRUGHIGAZ-NCUBORBFSA-N 429.860 4.518 5 40 IJBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cccs1 17097712 NWXWGGXSWAETSN-UHFFFAOYSA-N 431.857 4.823 5 40 IJBB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 17139014 CUTMYWUUHOQCBJ-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140534 AFIJTIACKRATQX-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB Cc1ccc(C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cc1[N+](=O)[O-] 48339836 FKJAHYWBSXDWEJ-UHFFFAOYSA-N 440.297 4.903 5 40 IJBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)c(Cl)c1 59200733 CJTUTXWIALBVLL-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB Cc1ccc(C)c(-c2nn(CN(C)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c1 40083025 XCAVLUMKNVFFSL-UHFFFAOYSA-N 428.492 4.678 5 40 IJBB COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 169306031 PGMOKPXIUVCHPT-ZKGSSEMHSA-N 426.472 4.591 5 40 IJBB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408668301 DOTCQKXLRLTSSH-UHFFFAOYSA-N 443.459 4.773 5 40 IJBB CCOc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3o2)cc1 6601781 BVCAJEYIWLRWJR-UHFFFAOYSA-N 448.391 4.962 5 40 IJBB CCC(=O)Oc1cn(Cc2ccc(OC)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871205 SSAWUSJOPFMBET-UHFFFAOYSA-N 428.492 4.772 5 40 IJBB O=C(NCc1ccccc1Cl)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12553791 ZGZHAMCOEVPTOA-UHFFFAOYSA-N 441.837 4.800 5 40 IJBB Cc1ccc(OCCN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 12630494 MKVSCQLUOCQEDG-QFIPXVFZSA-N 439.899 4.905 5 40 IJBB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17095631 RSDUIIMXNNBOBH-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2s1 17095789 OFAFSQANHUSJDN-UHFFFAOYSA-N 428.470 4.594 5 40 IJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409313032 AZAUAGXKIQSCIF-BAQGIRSFSA-N 434.235 4.852 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 3393078 MEDPDBPDQAUWGN-OAHLLOKOSA-N 436.420 4.580 5 40 IJBB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8719423 PNNYERZLZJQQCD-LBPRGKRZSA-N 443.916 4.826 5 40 IJBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccc2c3c(cccc13)CC2 8834480 CJRLJNCTPTWBNT-JOCHJYFZSA-N 435.461 4.643 5 40 IJBB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)c([N+](=O)[O-])c3)s2)cs1 12984817 PYYDTUUKSYFUNP-UHFFFAOYSA-N 438.328 4.781 5 40 IJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1Cl 20610784 BVQRNOUUJYEELW-UHFFFAOYSA-N 437.843 4.551 5 40 IJBB O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc13)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503351 SCQUEJIIISJNOO-MSVKLTOBSA-N 446.462 4.625 5 40 IJBB C[C@H](NC(=O)c1ccccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccccc1 95971814 AJFGDFYGIQTZGI-ZDUSSCGKSA-N 425.391 4.616 5 40 IJBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 13946129 VIZSJVJNWNRBHA-UHFFFAOYSA-N 434.452 4.601 5 40 IJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222897269 MKXCPEITEIBVJI-LEWJYISDSA-N 438.509 4.641 5 40 IJBB Cc1cccc2c1N(CCCn1c3nc4ccccc4nc3c3cccc(C)c31)C(=O)C2=O 9253542 YVWJOOSDUAGRLQ-UHFFFAOYSA-N 434.499 4.974 5 40 IJBB COc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1 14361125 CLIMCCCXFZJFNL-UHFFFAOYSA-N 433.873 4.801 5 40 IJBB COc1c2c(cc3c1[C@H](CC(=O)c1ccc4c5c(cccc15)CC4)[N+](C)(C)CC3)OCO2 2106387 ZZBAZUAWNIQIJC-NRFANRHFSA-N 430.524 4.622 5 40 IJBB biogenic Cc1cc(C)c(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 8671185 SISAHFPIIUNNBK-AWEZNQCLSA-N 438.402 4.765 5 40 IJBB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 9427960 QBQDTGHRHZSQNH-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1 14153984 YTHJZYFNPAHQKW-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 16214654 OBXACMNPBXHDJB-UHFFFAOYSA-N 425.460 4.523 5 40 IJBB O=c1cc(CSc2nnc(NC[C@@H]3CCCO3)s2)c2c(ccc3ccccc32)o1 16330960 BUJPLHXTTYLYFA-HNNXBMFYSA-N 425.535 4.681 5 40 IJBB CN1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229375 GDCYIBRPNSLYSQ-UHFFFAOYSA-N 443.718 4.559 5 40 IJBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 214218985 IWXKHNVASMUMJJ-UDWIEESQSA-N 437.452 4.820 5 40 IJBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nn12 408575195 SMASQTAKPIWPDF-UHFFFAOYSA-N 446.448 4.582 5 40 IJBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)S2)cc1 408783641 PNGRTMQLCOFRJG-AFHVAHMMSA-N 437.477 4.722 5 40 IJBB O=C(O[C@@H]1CCCCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1709212 FSXPLCYBQWUSEB-WOJBJXKFSA-N 442.424 4.608 5 40 IJBB O=C1N(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)[C@]2(C[N+](=O)[O-])CCCN12 2635350 UQOHVZPFLKZWIE-IBGZPJMESA-N 435.267 4.629 5 40 IJBB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 15239892 WWCVMIPXMWNHFO-UHFFFAOYSA-N 437.411 4.801 5 40 IJBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 100054467 NCJIBBAKIPAWMQ-UHFFFAOYSA-N 444.363 4.597 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2299770 DKPAMBCLQJDCJN-UHFFFAOYSA-N 427.508 4.873 5 40 IJBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 12816015 CGEGSJUNHYWHDW-UHFFFAOYSA-N 433.367 4.533 5 40 IJBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 108991788 HVBPLNFJIIAHTL-OAHLLOKOSA-N 440.525 4.884 5 40 IJBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408801187 SAKRYHWLBRMQCX-UHFFFAOYSA-N 436.469 4.935 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408917952 DCNOCYLOZJPPCV-YCIYHOANSA-N 444.874 4.650 5 40 IJBB O=C(CNC(=O)c1ccc(Cl)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10000434 GKLHAADTIFNQFZ-UHFFFAOYSA-N 440.839 4.514 5 40 IJBB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3oc2=O)cc1 11866200 NJGVSKZMWXTTFE-UHFFFAOYSA-N 431.400 4.904 5 40 IJBB biogenic O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142762 KPLRDUYPDUPJHC-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222634297 RPFGMBYKVVQZPW-JDORSLCVSA-N 436.493 4.848 5 40 IJBB CCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2352401 NHOJHUWFNSAFQK-UHFFFAOYSA-N 443.459 4.858 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 3769592 VCUABMOSVCLROY-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 10022014 BENZILKSESQRKV-HNNXBMFYSA-N 438.867 4.699 5 40 IJBB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10059802 NJKYZRSTXAXTIQ-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB Cc1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2ncccc2o1 16250109 HTWBXGYUKGDFBO-UHFFFAOYSA-N 447.476 4.542 5 40 IJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2799136 CSDXJGAFIPYWFP-UHFFFAOYSA-N 428.235 4.864 5 40 IJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1nc2ccccc2s1 9662485 BJMUASAZIPMTAD-JTQLQIEISA-N 425.388 4.767 5 40 IJBB Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cccc1[N+](=O)[O-] 224032124 LXFSUHKNJWTDAH-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 408572588 KSXAXXIDJUVPIE-ZRDIBKRKSA-N 437.883 4.870 5 40 IJBB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408655281 GVPLVHYLLUFQPY-SFHVURJKSA-N 444.487 4.879 5 40 IJBB CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1 6159343 POUVSLSYKNNNJO-UHFFFAOYSA-N 426.513 4.663 5 40 IJBB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1Cl 14008909 WBYNKDJMHUVBHG-UHFFFAOYSA-N 425.253 4.584 5 40 IJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C(F)F)cc3C(F)F)nc12 17099468 BTUUDHFWZNWOQE-UHFFFAOYSA-N 435.410 4.624 5 40 IJBB O=[N+]([O-])c1cc(Oc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc([N+](=O)[O-])c1 100494806 RJZNLXIKJXGICO-UHFFFAOYSA-N 442.296 4.904 5 40 IJBB Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 223976351 QGOAZALNTZSAPJ-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 8902533 CQFVARPZQVADKK-UHFFFAOYSA-N 445.834 4.736 5 40 IJBB COc1ccc2c(C)cc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc2c1 9714393 DVOLDBJAYBQSHC-ZDUSSCGKSA-N 427.482 4.588 5 40 IJBB CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(-c3cn(C)nc3C)c21 36612852 JPUHZTHNOOZQCS-UHFFFAOYSA-N 446.508 4.826 5 40 IJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)cc2)cc1 2251826 CFIWENNVGFTWAZ-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc(Br)c1 2483537 PHVMPRPGJZAMSY-UHFFFAOYSA-N 445.298 4.542 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1Cl 8834535 JFHUWQMAKVPZEE-UHFFFAOYSA-N 447.926 4.992 5 40 IJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ccccc23)CC1 10139991 PLYZZVXQBGASSG-AWEZNQCLSA-N 426.904 4.936 5 40 IJBB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccccc12 12542401 CIPQETSZYKDDFT-NSHDSACASA-N 436.342 4.852 5 40 IJBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 19842994 QCDZSXCBVGMKDM-IBGZPJMESA-N 439.497 4.938 5 40 IJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 409180143 PQCMRTSZHSLTGZ-HXUWFJFHSA-N 440.795 4.937 5 40 IJBB COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 669088 KGNAFJBVOKUESF-ZDUSSCGKSA-N 446.525 4.611 5 40 IJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409174703 UGBTYQBZTDZMAM-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 409179341 MDRYAMJSURGGHZ-UHFFFAOYSA-N 430.869 4.642 5 40 IJBB COc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409265197 RHFBTIPSKFIDAP-UHFFFAOYSA-N 434.364 4.620 5 40 IJBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc(N2CCOCC2)cc1 3253789 BZEPXIKEFPIKNL-UHFFFAOYSA-N 440.499 4.625 5 40 IJBB Cn1c(C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 10115998 HAGSGRGYGJZHOF-LJQANCHMSA-N 434.883 4.849 5 40 IJBB O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16385860 LWOLYBKSQPFDKV-UHFFFAOYSA-N 447.190 4.586 5 40 IJBB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17098953 FTZTUJFFABNCER-UHFFFAOYSA-N 434.521 4.865 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 223943508 VUINROHRCFPYEC-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC 408565583 CLAGJUOEQYOVIR-FQEVSTJZSA-N 446.504 4.622 5 40 IJBB Cc1nc(SCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)c2c(C)c(C)sc2n1 16816310 WVJQUJSDCURLOX-UHFFFAOYSA-N 428.539 4.596 5 40 IJBB O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 869085 QKXOFYMFAUTSGM-UHFFFAOYSA-N 433.855 4.812 5 40 IJBB Cc1ccc(C2=NN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 8711531 LRDHIRTUXGJVMT-IBGZPJMESA-N 448.426 4.892 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 9111205 DVFDIMXIEJNIFU-JOCHJYFZSA-N 441.443 4.771 5 40 IJBB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 14270619 OSDLCFGQMVQWFU-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409212835 QYPUKZLYPINKLD-HVOBPNNYSA-N 444.465 4.541 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 9295946 KDQPQCAVMNQMLR-SXGWCWSVSA-N 434.857 4.589 5 40 IJBB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12564718 FJAVYIVARYBBGA-UHFFFAOYSA-N 442.928 4.643 5 40 IJBB CC(C)(C)c1ccc(OCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 15304399 NRBAJJZTMCKLRD-UHFFFAOYSA-N 446.447 4.677 5 40 IJBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc([N+](=O)[O-])c1 26780006 OONVIWMVRDRJKS-UHFFFAOYSA-N 446.872 4.693 5 40 IJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 1865323 RIUOYAHCZWZXBM-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 8837919 SAECPGVEFLJJHH-RDPSFJRHSA-N 429.432 4.608 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 9354724 YSMWBGBVLQQADJ-UHFFFAOYSA-N 433.445 4.696 5 40 IJBB CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccc(Cl)cc1 11614624 LEHBLFOWKJDHQU-NRFANRHFSA-N 432.907 4.706 5 40 IJBB O=C(Nc1ccc(I)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35084991 VAUBNZKIVHUAAB-UHFFFAOYSA-N 434.189 4.712 5 40 IJBB CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 108015015 OAVDLWDYUBLTLQ-QGZVFWFLSA-N 435.889 4.709 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1 408564555 WNLYYXMZQVFFGQ-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 15972905 JGFYJQXDUPSDIH-UHFFFAOYSA-N 439.468 4.596 5 40 IJBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20140573 ASJBGFKLMLNIBN-UHFFFAOYSA-N 430.800 4.776 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C 106722629 LQDWUHKLSHINPF-ODLFYWEKSA-N 428.466 4.627 5 40 IJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCCCC1 12561944 CGORIUHOELSYEZ-INIZCTEOSA-N 430.936 4.698 5 40 IJBB CC[C@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n32)CO1 13811469 IFPNKPCBUDUBKC-OAQYLSRUSA-N 436.566 4.520 5 40 IJBB Cc1c(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 25836533 INSVYVZYWLBDKF-ZDUSSCGKSA-N 443.301 4.685 5 40 IJBB CC(C)(C)NC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 3066810 KDJQICWLBJZQSU-HKWRFOASSA-N 433.464 4.540 5 40 IJBB O=c1nc(Cc2ccccc2)n(Cc2ccccc2C(F)(F)F)c2ccc([N+](=O)[O-])cc12 13028240 FGBUNHYPXIPGCH-UHFFFAOYSA-N 439.393 4.963 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32118653 SDKBKMDPDPIGSO-DUXPYHPUSA-N 446.699 4.787 5 40 IJBB O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 95480602 KYRWHRVSBIDOTA-UHFFFAOYSA-N 430.464 4.580 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408672146 LXXXLEQYGPUFRC-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409355175 CAXJHHLBNVYCKD-OVCLIPMQSA-N 437.260 4.821 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 835817 SPGYLLMFYPLILO-ZKKFKWFVSA-N 444.874 4.819 5 40 IJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2249084 ONPKSPHFWLIXOD-UHFFFAOYSA-N 439.519 4.775 5 40 IJBB O=C(Nc1ccc(I)cc1)c1cccc2nc3ccccc3nc12 25502170 BDXKTDYMSDVSCE-UHFFFAOYSA-N 425.229 4.640 5 40 IJBB Cc1cc(Cl)c(O)c(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(N)nc(S)nc3n2)c1 104311997 NWUPQDLJCSUAKH-UHFFFAOYSA-N 439.884 4.805 5 40 IJBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl 17094613 VWPZPZFLNFXNLY-UHFFFAOYSA-N 425.828 4.761 5 40 IJBB COc1c([N+](=O)[O-])cc(NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] 20528909 XKEHCLCHZHRIGS-UHFFFAOYSA-N 446.213 4.680 5 40 IJBB COc1ccccc1N(C(C)=O)c1nc(COc2ccc([N+](=O)[O-])cc2Cl)cs1 23552381 DODXVXNQCDMGPF-UHFFFAOYSA-N 433.873 4.977 5 40 IJBB O=C1CN(C(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c2ccccc2N1 3447782 YOZBGMHXZXKMLJ-UHFFFAOYSA-N 439.880 4.998 5 40 IJBB Cc1ccc2nc(N3CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)sc2c1 10166291 LSBPIXAYBVFIAG-UHFFFAOYSA-N 438.534 4.690 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 19646585 JYIFSUFZXPORGN-WUXMJOGZSA-N 447.834 4.701 5 40 IJBB COc1ccc(-c2nn3c(Nc4ccc(Cl)cc4)nc4ccccc4c3nc2=O)cc1 89453945 SGPOPUDGYCDAIJ-UHFFFAOYSA-N 429.867 4.710 5 40 IJBB CC[N+](CC)(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(OC)cc1C(C)(C)C 226071503 LTFZUMFYCFMQQF-NRFANRHFSA-N 445.580 4.697 5 40 IJBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 8903162 UXRSNQHXIJAIBM-UHFFFAOYSA-N 443.481 4.812 5 40 IJBB C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 12285488 BKGQDHJNBGUGPK-GFCUVTGDSA-N 429.395 4.654 5 40 IJBB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1Br 13382062 ITMJGQPIGLGDQR-UHFFFAOYSA-N 439.225 4.813 5 40 IJBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 27525536 QDAWKPFSKHNHEQ-UHFFFAOYSA-N 427.482 4.964 5 40 IJBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cc(Cl)ccc1Cl 59200747 CJWVJMSBTXSJMW-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1 3074376 UUPMSTILXVGQLT-UHFFFAOYSA-N 425.491 4.981 5 40 IJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2)c1 14269518 SGGWCEHLHIRNGF-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2341991 DGPJTQMLOFFYEB-UHFFFAOYSA-N 443.459 4.858 5 40 IJBB Cc1ccc(C2=NN(C(=O)CCN3CCC(C)CC3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 89632045 MKKHDYUSFYRMLG-XMMPIXPASA-N 434.540 4.703 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 9287737 JBDNENXGOGSNMV-IBGZPJMESA-N 436.807 4.693 5 40 IJBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9524248 PGMOKPXIUVCHPT-LIONHTAISA-N 426.472 4.591 5 40 IJBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32931843 MQZXHNQXMPOVTP-IIBYNOLFSA-N 435.505 4.572 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721956 NGFRFSHYYAFCHH-NEWJYFPISA-N 442.471 4.988 5 40 IJBB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 408736751 GXJDNFKRXROFGC-HSZRJFAPSA-N 447.491 4.688 5 40 IJBB COc1ccc(OC)c(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 9076555 DGSJULOVZUYMOA-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 9226441 PCXZGDDFSGZVHX-UHFFFAOYSA-N 425.807 4.682 5 40 IJBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cc(Br)ccc1Cl 9367645 QRMJWOQLSSPOBZ-UHFFFAOYSA-N 439.678 4.782 5 40 IJBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 725905 HMDFEIRWJLBQAN-UHFFFAOYSA-N 441.226 4.933 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C3=O 9357694 RXNMHFAUGOJPNU-NRFANRHFSA-N 430.416 4.656 5 40 IJBB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 19928043 RLYWCIXKIHUDDS-UHFFFAOYSA-N 442.497 4.521 5 40 IJBB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)Nc1ccccc1[N+](=O)[O-] 24991279 LABAFEDQCUPANZ-UHFFFAOYSA-N 444.491 4.706 5 40 IJBB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726753 DCFCZFPMXTXGMD-AUWJEWJLSA-N 425.249 4.844 5 40 IJBB CNc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 20837255 PFVWVCGIPGHCEP-UHFFFAOYSA-N 444.491 4.914 5 40 IJBB Cc1nc(-c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2)cs1 22319851 FFONMHNMKNMQDO-UHFFFAOYSA-N 439.540 4.903 5 40 IJBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 108243106 VBSYPCWXUCXQIN-UHFFFAOYSA-N 439.493 4.985 5 40 IJBB Cc1cc(N2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2)c2ccccc2n1 4395988 FLEYBKKTQCGMNN-UHFFFAOYSA-N 431.521 4.902 5 40 IJBB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9413813 NYPDSLUMJBLKBF-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1Cc1ccccc1Cl 9541998 HUFFXDSNLLPETB-UHFFFAOYSA-N 437.890 4.985 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1Cl 2255057 JPNVXYTVSMCBED-UHFFFAOYSA-N 447.926 4.910 5 40 IJBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1cccc(C)c1C 9355967 OQROUQPADMULFN-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c2)c1 40488344 MLYYLZRYBVDBCG-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c([N+](=O)[O-])c1 2404426 NTZGNENQBYWQER-GFCCVEGCSA-N 446.442 4.610 5 40 IJBB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc([N+](=O)[O-])c1 14409811 TVPXQYDNDAPOKX-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 16050543 KMMFHDIIQDLGNN-UHFFFAOYSA-N 430.416 4.938 5 40 IJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 21789019 PUDQYDDNXGBHDQ-UHFFFAOYSA-N 448.382 4.742 5 40 IJBB COc1ccc([C@@H]2CCCCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 1706541 MAFBUJOWFLDDIH-PKOBYXMFSA-N 429.469 4.894 5 40 IJBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccnc3cc(Cl)ccc23)c([N+](=O)[O-])c1 9127675 QTMAVCIQUZXILD-UHFFFAOYSA-N 435.889 4.619 5 40 IJBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14271873 VFKZVCGZGZNBCE-UHFFFAOYSA-N 446.960 4.920 5 40 IJBB O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccc(Cl)cc1 409246485 BWRVMGNZPXWOSU-MKMNVTDBSA-N 425.249 4.844 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)o2)cc1 8877387 KAFBBWBIIZXCPB-UHFFFAOYSA-N 447.379 4.589 5 40 IJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccc(F)cc1 11614647 OFFVRTYHWBTCJB-QFIPXVFZSA-N 430.479 4.582 5 40 IJBB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 13424516 QQAZXGQTUWEWKV-UHFFFAOYSA-N 445.504 4.632 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223358654 VEFOHXYIFVFNCN-YADHBBJMSA-N 445.504 4.546 5 40 IJBB Cc1ccc2oc(C(=O)Nc3cc(Oc4ccc(O)cc4)cc([N+](=O)[O-])c3)cc(=O)c2c1 973742 IUFGHMCORJNMFW-UHFFFAOYSA-N 432.388 4.760 5 40 IJBB CCOc1ccc(NC(=O)c2ccccc2NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 12137689 UFVYRCFKUJJAMS-INIZCTEOSA-N 449.463 4.652 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C 106739337 OSAFHYDPRMQAKO-JAIQZWGSSA-N 442.493 4.875 5 40 IJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c2ccccc12 226769123 UMMGDGLYXCASRB-UHFFFAOYSA-N 434.404 4.602 5 40 IJBB C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 3322808 UPROBGVUTAAOGS-MRXNPFEDSA-N 441.443 4.994 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12749542 WFWOMEVCXUKQQA-UHFFFAOYSA-N 433.873 4.853 5 40 IJBB CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccco2)cc1 15944875 NRSXDPHHUOZVNT-JCMHNJIXSA-N 448.475 5.000 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br 214995308 QCXZVTAGQDWIAI-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB Cc1ccccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409182438 KVSXSYNIZIKROZ-VWLOTQADSA-N 446.459 4.789 5 40 IJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)/C(=C/c1ccc(F)cc1)c1cccs1 8880119 DCDGWWFFQZGJSE-UFWORHAWSA-N 441.436 4.946 5 40 IJBB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 9616786 LAFLNQOEPSGOIC-GFCCVEGCSA-N 445.526 4.708 5 40 IJBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)c1 13533776 MVJGQZQVDYQQHP-OAQYLSRUSA-N 441.896 4.788 5 40 IJBB CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc23)S[C@H]2CCCC[C@H]12 85344903 JGGOUPGQNMDPGI-LIRRHRJNSA-N 433.533 4.593 5 40 IJBB Cc1ccc(C2=NN(C(=O)CCN3CCC(C)CC3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 89632043 MKKHDYUSFYRMLG-DEOSSOPVSA-N 434.540 4.703 5 40 IJBB O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Nc1ccc(Cl)cc1 89788331 RDKAIXYTRJNDSD-UHFFFAOYSA-N 433.917 4.651 5 40 IJBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9190296 WCDIDFSRUNWBFX-UHFFFAOYSA-N 429.436 4.651 5 40 IJBB Cc1nn(Cc2c(C(=O)N(C3CCCCC3)C3CCCCC3)noc2C)c(C)c1[N+](=O)[O-] 19638575 JABZJXQOGFIRBM-UHFFFAOYSA-N 443.548 4.860 5 40 IJBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1C(c1ccccc1)c1ccccc1 22714872 DANHIZGBKCRRDO-UHFFFAOYSA-N 441.487 4.695 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 409232414 HHVKNTUABWVTBJ-YBFXNURJSA-N 437.839 4.910 5 40 IJBB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)cc1C 9316543 BRKMPBUSYYQUJO-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 13969833 ILQRGDKXDYHFJK-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 19643169 SVPMSRHXILBZGH-UHFFFAOYSA-N 445.431 4.919 5 40 IJBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408918052 FNRUCCWREOJEFG-ZCOIRKDISA-N 438.483 4.782 5 40 IJBB COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc([N+](=O)[O-])c1 1097976 VXLDKOROXHISGY-UHFFFAOYSA-N 438.823 4.518 5 40 IJBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2408299 NNOYDCFAXMVZCK-UHFFFAOYSA-N 448.324 4.765 5 40 IJBB CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc23)C1 8766429 FPBZDWKLEZDOQK-UHFFFAOYSA-N 448.884 4.950 5 40 IJBB O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1cccc([N+](=O)[O-])c1 10233250 QJDZWYZHZLOCBX-UHFFFAOYSA-N 444.399 4.596 5 40 IJBB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 223643629 GRRYPHALTIKMTP-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB COc1cc(COc2ccc([N+](=O)[O-])cc2)c(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 2066609 YEGFQSZRIFTOSD-UHFFFAOYSA-N 440.408 4.678 5 40 IJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 9934691 CWNQQPKTFMQREG-UHFFFAOYSA-N 444.495 4.736 5 40 IJBB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl 14271066 ODYVDGCSHXXTHC-UHFFFAOYSA-N 448.715 4.999 5 40 IJBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl 15019005 PRBCLXSUCJTEBV-UHFFFAOYSA-N 440.264 4.839 5 40 IJBB CCOc1ccc(Nc2nc(Nc3cccc(/C=C/C(=O)O)c3)nc(C)c2[N+](=O)[O-])cc1 16691780 OQUAAJBLPSYDSL-KPKJPENVSA-N 435.440 4.677 5 40 IJBB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 59399013 ZAXUZEJCTRXOLA-NDENLUEZSA-N 448.818 4.812 5 40 IJBB COc1c(Br)cc(Br)cc1-c1nc2cc([N+](=O)[O-])ccc2o1 226237654 VPBXYXCKXZENKH-UHFFFAOYSA-N 428.036 4.937 5 40 IJBB CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2335978 ULDITCJRKFDSPU-OAQYLSRUSA-N 431.444 4.557 5 40 IJBB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 12657893 MVEWHXYCURKFJY-KRWDZBQOSA-N 447.491 4.953 5 40 IJBB Cc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])cc1C 12982789 AVSUFRDHYQKLJX-OAQYLSRUSA-N 427.551 4.921 5 40 IJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccco2)nc2ccccc12 35088100 IXJIMTLZOIBQSJ-UHFFFAOYSA-N 432.388 4.627 5 40 IJBB Cc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])cc1C 12982791 AVSUFRDHYQKLJX-NRFANRHFSA-N 427.551 4.921 5 40 IJBB COc1ccccc1CN(C)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 9638210 GPCQHBAXUMUBIK-UHFFFAOYSA-N 442.544 4.795 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408576671 YOCKZBOJNDATGS-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1cc(OC)cc([C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 12551363 CCRRNVLSCRYERH-SFHVURJKSA-N 436.390 4.566 5 40 IJBB CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])cc1OC 12796828 MDEOMWKTJWXSQP-AWEZNQCLSA-N 441.509 4.632 5 40 IJBB COCCCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 17185575 LOKASQWZYBGZMT-UHFFFAOYSA-N 439.855 4.778 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 19636136 BIUCTEMDJOIAES-NTEUORMPSA-N 442.519 4.569 5 40 IJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408607310 KTQDXBNLMMYMCO-UHFFFAOYSA-N 427.932 4.767 5 40 IJBB O=C(Nc1cccc2ccccc12)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409180350 RKPPKEBKAXHXSB-UHFFFAOYSA-N 432.457 4.833 5 40 IJBB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])o1 19929131 YPSUEXBBQYZXKI-UHFFFAOYSA-N 448.888 4.654 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-] 33625639 MEPWQOZYJDYGHE-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])cc1 1773900 HGBMHRIJAXWHED-XMMPIXPASA-N 429.476 4.899 5 40 IJBB biogenic CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 9823165 FDLDWNHUFYFUAB-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB CCCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 3066815 FJZQXSRKIHMMPW-JWGURIENSA-N 447.491 4.850 5 40 IJBB CCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2ccc(O)cc12 8856784 PGAXNYGVJCDMOB-UHFFFAOYSA-N 431.876 4.896 5 40 IJBB biogenic,in-vitro COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C\c1ccccc1 101185222 QZEOTAXTMIWQSQ-CHHVJCJISA-N 447.359 4.767 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024650 GDWYLLMUDJENMC-FGZHOGPDSA-N 433.537 4.696 5 40 IJBB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc([N+](=O)[O-])c1 409129999 MXVGJYBDTGCGIV-UHFFFAOYSA-N 433.493 4.757 5 40 IJBB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 3287093 OCZWNNAFRJVUII-JOCHJYFZSA-N 434.448 4.757 5 40 IJBB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 13660015 QENKDXBYAVGPCK-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 13943433 SEBHKVSQVHUSHV-NDENLUEZSA-N 448.818 4.812 5 40 IJBB COc1cc(Br)c(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1OC 32831716 JHJGPFKQSCNAHX-XCVCLJGOSA-N 439.649 4.521 5 40 IJBB CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc23)S[C@@H]2CCCC[C@H]12 85344905 JGGOUPGQNMDPGI-IFXJQAMLSA-N 433.533 4.593 5 40 IJBB O=[N+]([O-])c1ccc(Oc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 104254440 SWTQBRKNHRBDLM-UHFFFAOYSA-N 442.296 4.904 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc2ccccc2c1Cl 3240327 RRBXBNFPCVUEMC-SNVBAGLBSA-N 434.857 4.656 5 40 IJBB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 12517161 WFPXLOAGJBHUHZ-ZDUSSCGKSA-N 439.409 4.847 5 40 IJBB CCc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 16161245 IFRPSGXYEIVIFM-UHFFFAOYSA-N 430.629 4.668 5 40 IJBB CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](O)c1cccc(OCc2ccccc2)c1 89621115 FGAAYEUWDZCUPF-HSZRJFAPSA-N 434.492 4.550 5 40 IJBB Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cccc1[N+](=O)[O-] 409267946 XCOUHBGGRAGMMM-DEOSSOPVSA-N 447.516 4.930 5 40 IJBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 8832187 ATGSCYHSCCFNRT-UHFFFAOYSA-N 445.479 4.778 5 40 IJBB COc1cc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2cc1Cl 9192633 ATSBWWMMGNHOLR-UHFFFAOYSA-N 432.889 4.719 5 40 IJBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409212272 PHJYNUCXAYYGAG-WJDWOHSUSA-N 433.283 4.636 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 879602 LUYGWVDBSGOOKN-DNGMOHDESA-N 427.526 4.558 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 10059778 KWYNUJKVCACJPF-FCHUYYIVSA-N 425.448 4.568 5 40 IJBB Cc1ccc(OCC(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)cc1 9414304 OGRXKTOWLXUVBE-UHFFFAOYSA-N 445.431 4.919 5 40 IJBB Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 12628281 CVWABZZYVRSHDW-UHFFFAOYSA-N 443.488 4.983 5 40 IJBB O=[N+]([O-])c1cc(C(Cl)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCO1 13512217 GZXZUKNZAAZDNI-UHFFFAOYSA-N 437.680 4.594 5 40 IJBB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17098377 QNALCRSPZMXHFJ-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 24442496 SPGAJBJBWHHMQM-FPYGCLRLSA-N 434.370 4.547 5 40 IJBB COc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)cs2)cc1 57352225 PZEFOBIZZSIMBV-UHFFFAOYSA-N 444.944 4.703 5 40 IJBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(F)(F)F 225770436 RJGOWGVRTRIJMW-UHFFFAOYSA-N 438.402 4.699 5 40 IJBB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 2983574 NWIVQNLURKRJGZ-CJLVFECKSA-N 444.443 4.706 5 40 IJBB COc1ccc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13856272 WJOOFAAGZGEAIP-UHFFFAOYSA-N 434.271 4.742 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 1001106 GYCOEWBCAZVTOA-DEOSSOPVSA-N 441.443 4.593 5 40 IJBB biogenic C[C@@H](NC(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 2617039 QDCUIKZTVAWBQI-MRXNPFEDSA-N 436.489 4.780 5 40 IJBB CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 9128658 LCEPOYFGMIAFIU-UHFFFAOYSA-N 441.480 4.642 5 40 IJBB O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)NCc3csc4c3CCCC4)cc12 12375240 CGRUSOAPBZKVRT-UHFFFAOYSA-N 442.518 4.913 5 40 IJBB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c1 20796070 UUBFQOANSXYGIH-QGZVFWFLSA-N 445.504 4.546 5 40 IJBB COc1cc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] 408554753 UEUFAEMKNXJLTN-UHFFFAOYSA-N 444.900 4.753 5 40 IJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccccc3OC(F)F)cc2)c1[N+](=O)[O-] 408605250 LHMORJXKYYURKK-DHZHZOJOSA-N 445.378 4.681 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409177861 IEIWSNKAEKGNFM-UHFFFAOYSA-N 430.869 4.642 5 40 IJBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409179494 RSJJFTIISCONHI-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409245595 WHSDDEQFUSPODV-HYARGMPZSA-N 443.459 4.575 5 40 IJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccccc1 2303047 SYRGMXXQDCOVPC-UHFFFAOYSA-N 445.526 4.953 5 40 IJBB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6444077 TXTVWYVNNACHPZ-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13112206 OMTCZNGRTXLPIY-ZDUSSCGKSA-N 434.481 4.956 5 40 IJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N[C@@H]1CCOc2ccccc21 27326384 IDNZSAYHUKCMIZ-LJQANCHMSA-N 440.528 4.768 5 40 IJBB Cc1ccc(-c2nn3c(SCCN(C(C)C)C(C)C)nc4ccccc4c3nc2=O)cc1 58046912 BFEYKVWYKNPQIS-UHFFFAOYSA-N 447.608 4.824 5 40 IJBB CN(c1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cc1)S(=O)(=O)c1cccs1 12978016 AETWPADCUWNCOH-UHFFFAOYSA-N 441.490 4.822 5 40 IJBB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 16899406 QBLMQABJFWWJLV-AWEZNQCLSA-N 445.806 4.709 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19631572 IOFSJKWMCDAMCI-HSZRJFAPSA-N 440.459 4.934 5 40 IJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 8997568 GVGMLBZPBVEISN-UHFFFAOYSA-N 448.870 4.645 5 40 IJBB CCC(=O)Oc1cn(Cc2ccccc2OC)c2nc(CC)n3c4ccccc4nc3c12 9124365 JZSOVNBTAYPTIA-UHFFFAOYSA-N 428.492 4.772 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408669540 HNZPKCLDXHVHSK-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408908772 YQUZLRTUYLEURK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=c1oc2c(c(Cl)c1Cc1ccccc1)c(=O)oc1c3c4c(cc12)CCCN4CCC3 6446339 PVIXBUMIPDWISW-UHFFFAOYSA-N 433.891 4.842 5 40 IJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 10187878 CTGGBFWUYLOUCA-UHFFFAOYSA-N 436.226 4.503 5 40 IJBB CCOC(=O)c1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)nc(O)n3)o2)c([N+](=O)[O-])c1 408720409 NXNZKGMFOZBTTC-SNAWJCMRSA-N 449.341 4.716 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 9306313 KAHBGJOSZNDYSF-LJQANCHMSA-N 439.541 4.626 5 40 IJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccc(F)cc1 11614648 OFFVRTYHWBTCJB-JOCHJYFZSA-N 430.479 4.582 5 40 IJBB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 33396898 YFZJKSRNKRSHCY-UHFFFAOYSA-N 425.466 4.811 5 40 IJBB CC(C)(C)C(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12523146 USGHCPYBRVJAEO-UHFFFAOYSA-N 427.504 4.778 5 40 IJBB O=C(OC[C@H]1CC1(Cl)Cl)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12950790 CJTXEVYWKSIGSG-LLVKDONJSA-N 428.655 4.830 5 40 IJBB O=C(O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 31715990 XNGAEWBIGCGDAO-DNQXCXABSA-N 432.476 4.566 5 40 IJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2246552 LILJTUPSHGSUBK-UHFFFAOYSA-N 448.324 4.702 5 40 IJBB CCCCCn1c([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc21 8740705 WRSAVSUWHWLHEM-AWEZNQCLSA-N 425.445 4.534 5 40 IJBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 14270728 ZTWVHUWNXSPSMF-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1cccc(Oc2ccccc2)c1 15980133 ABTDIZUDMXGUBH-UHFFFAOYSA-N 440.477 4.964 5 40 IJBB Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 30758393 GTORDHWHBIKLCH-KOEQRZSOSA-N 438.487 4.946 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409355113 BNIYEYUZFRGUBR-WTANOLMUSA-N 427.423 4.510 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 2754131 ZNXZPROGBHXQJC-SNVBAGLBSA-N 435.933 4.812 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38859717 SFFJWXFVGYVVCF-UHFFFAOYSA-N 432.318 4.516 5 40 IJBB CC[N+](CC)(CC)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705794 JVQTZEAYDQOSMZ-NSLDZCFVSA-N 431.685 4.973 5 40 IJBB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20412145 XSPTZRMBQHURJM-UHFFFAOYSA-N 437.496 4.937 5 40 IJBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 36093462 AXTRLTUNCLTTGE-HKWRFOASSA-N 425.469 4.546 5 40 IJBB CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 225865943 ZKEBNAWBEHZSPE-UHFFFAOYSA-N 427.501 4.554 5 40 IJBB COc1cc2c(cc1NC(=O)c1cccc(Cn3cc([N+](=O)[O-])cn3)c1)oc1ccccc12 2729410 JAFIUKYCCGPIAT-UHFFFAOYSA-N 442.431 5.000 5 40 IJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccnc1SCc1ccc([N+](=O)[O-])cc1 3350732 JQRHGAKCLXYKMW-UHFFFAOYSA-N 425.422 4.547 5 40 IJBB Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1C 60498015 YNXRBBAGXJEGFP-LJQANCHMSA-N 434.564 4.671 5 40 IJBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nc2ccccc2o1 408632915 HLFFXFJNVRMJQD-CPNJWEJPSA-N 425.466 4.944 5 40 IJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 408843538 LXSYBWZYCKYVHC-NTUHNPAUSA-N 429.797 4.716 5 40 IJBB O=[N+]([O-])c1ccc(N2N=N[C@@H](c3ccccc3)[C@]2(c2ccccc2)N2CCOCC2)cc1 4972184 ONWMVGCMRGVUNF-BJKOFHAPSA-N 429.480 4.709 5 40 IJBB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 8995714 SBFWGHNUZGYYAC-FPYGCLRLSA-N 439.821 4.629 5 40 IJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 9158226 BOUXTUYOOMQXSJ-ZDUSSCGKSA-N 433.899 4.917 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccccc2Br)o1 12418963 QOPAAHUONBXDQG-UHFFFAOYSA-N 447.241 4.790 5 40 IJBB O=C(c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)n1cc(CO)c2ccccc21 226767673 JJMAEIXATDSVHL-UHFFFAOYSA-N 441.237 4.753 5 40 IJBB Cc1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615907 KAYAJZWSKKXRMG-UHFFFAOYSA-N 437.456 4.533 5 40 IJBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1OC 79189125 XYJZCJAXTWBUBX-UHFFFAOYSA-N 449.463 4.603 5 40 IJBB biogenic COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408630794 BFEMNWDOZCKSJN-NVNXTCNLSA-N 433.829 4.525 5 40 IJBB O=C(CCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 2630148 KUNROIYXSHCXCT-UHFFFAOYSA-N 426.650 4.831 5 40 IJBB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3324238 AZKAXBCUANRTBH-UHFFFAOYSA-N 429.845 4.510 5 40 IJBB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177404 HZWXGNAOQIOOFP-CQSZACIVSA-N 435.465 4.555 5 40 IJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561648 SAECPGVEFLJJHH-GBXCKJPGSA-N 429.432 4.608 5 40 IJBB CC(C)C1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 72297636 HAHMUJIEWJKYIT-UHFFFAOYSA-N 427.467 4.725 5 40 IJBB Cn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(Br)ccc21 100846051 BKASHKJRSNHKJE-ZPHPHTNESA-N 448.323 4.866 5 40 IJBB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2292733 PZEHXVLZJPOISP-UHFFFAOYSA-N 435.219 4.905 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 9255104 XJGIYKOPRLWVNB-UHFFFAOYSA-N 448.504 4.884 5 40 IJBB C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84667948 BNKCONGRNDDQDW-ZDUSSCGKSA-N 448.310 4.835 5 40 IJBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408714051 HKVSUXQXSABLAY-UHFFFAOYSA-N 428.876 4.868 5 40 IJBB CC(C)(C)NS(=O)(=O)c1ccc(SCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 13140745 JXTBAEDNAZPKGX-UHFFFAOYSA-N 432.926 4.756 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 59433436 UCVWPAVELXJTSG-AYIBLLACSA-N 438.483 4.864 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024683 GDWYLLMUDJENMC-YADHBBJMSA-N 433.537 4.696 5 40 IJBB COC(=O)Cc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2oc1=O 1105758 MZYWMJGGGRXEAL-UHFFFAOYSA-N 437.326 4.536 5 40 IJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 408841293 FFYAMSYDRXVSDZ-NTUHNPAUSA-N 429.797 4.716 5 40 IJBB CCC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176972 CSGAZPLMVOKIPH-QHCPKHFHSA-N 432.432 4.724 5 40 IJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2285189 AKOOAYCYXYIVRK-UHFFFAOYSA-N 427.508 4.655 5 40 IJBB O=C(Nc1ccccc1O)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 12565250 NKWKDDNARARZCG-UHFFFAOYSA-N 443.809 4.828 5 40 IJBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20609887 DVHPZKALMQESAP-UHFFFAOYSA-N 425.404 4.841 5 40 IJBB O=[N+]([O-])c1cc(Cl)ccc1NCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 101663515 SCWKVGPNBLAEHW-UHFFFAOYSA-N 449.729 4.607 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409341113 CQCRHOBVDMZBPU-LZYBPNLTSA-N 437.260 4.821 5 40 IJBB COc1cccc(Nc2nc(Nc3ccc(Cl)c(C(=O)O)c3)nc(C)c2[N+](=O)[O-])c1 8780900 JDBVTZYXEOUFIL-UHFFFAOYSA-N 429.820 4.541 5 40 IJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 9944290 JBUICIZQHYFPGG-JXMROGBWSA-N 437.452 4.705 5 40 IJBB CCOc1ccc(NC(=S)/C(=C(\O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2)cc1 12655697 UMYVGHMKCQMLTG-UHFFFAOYSA-O 436.513 4.913 5 40 IJBB CC[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 72318846 VFMGCPHWNHNGQA-GOSISDBHSA-N 434.500 4.537 5 40 IJBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)S2)cc1 408783643 PNGRTMQLCOFRJG-ZRELAVNMSA-N 437.477 4.722 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1c2ccccc2Sc2ccccc21 1057917 HLTDTPQRGZDIRP-SDNWHVSQSA-N 432.457 4.981 5 40 IJBB aggregator CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2359022 WKZFOIKWXARRGF-OAQYLSRUSA-N 445.471 4.865 5 40 IJBB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2432776 UEAGAYWEAGFGHK-UHFFFAOYSA-N 444.874 4.880 5 40 IJBB Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 8651076 FDRSMIAMEKLYAM-UHFFFAOYSA-N 443.504 4.688 5 40 IJBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1Cl 16751425 KXXYBTJSVQIQGW-UHFFFAOYSA-N 437.776 4.627 5 40 IJBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)nc(C)c2=O)cc1 101297251 SUDHTKYJKSRLRG-UHFFFAOYSA-N 440.459 4.677 5 40 IJBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N(Cc1ccccc1)Cc1ccccc1 2348576 BWOQIIJZDUKDPB-UHFFFAOYSA-N 426.904 4.762 5 40 IJBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)c1 9353211 BCQOFHLVIJZGJF-UHFFFAOYSA-N 447.498 4.535 5 40 IJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 32119009 YFAJZVWAKORNPH-UHFFFAOYSA-N 428.539 4.982 5 40 IJBB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 12442166 YBSBVLUTHCDYSR-UHFFFAOYSA-N 449.492 4.863 5 40 IJBB CCOc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 9461570 DSBLLIRLZCWBMC-UHFFFAOYSA-N 449.463 4.544 5 40 IJBB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 9829759 HUHAPOBPYAYVDU-UHFFFAOYSA-N 440.506 4.825 5 40 IJBB Cc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2c(=O)n1-c1ccccc1 23143761 ZLTLCRDDYUETNH-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB Cc1c(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cccc1[N+](=O)[O-] 33740994 WCCUWJVDZXGHCO-UHFFFAOYSA-N 432.933 4.674 5 40 IJBB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225083999 HHKWBDQUVJOBJL-UHFFFAOYSA-N 426.494 4.697 5 40 IJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408609910 PJLRYMBJEYFXBB-UHFFFAOYSA-N 441.871 4.886 5 40 IJBB O=c1cc(-c2ccccc2)c2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2o1 3350069 VUFXXZNCAWASPB-UHFFFAOYSA-N 431.400 4.814 5 40 IJBB CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 9259466 AURFFCAFAVVZSI-LICLKQGHSA-N 448.884 4.892 5 40 IJBB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 9281910 ANHJUHSFHOXLNV-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)o1 13640960 XIOGMJPBHRGXTG-UHFFFAOYSA-N 434.408 4.823 5 40 IJBB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1 33327492 JSINXZXNYIVPMM-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 1973285 PDOODUQRKWBMCH-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB O=c1oc(-c2cccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)c2)nc2ccccc12 2154274 OVVXBTVZDTYCKV-UHFFFAOYSA-N 444.446 4.673 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nc(C)c(C)s1)C3=O 8827408 VBOAWDAPHONDHZ-LJQANCHMSA-N 447.472 4.833 5 40 IJBB O=[N+]([O-])c1ccc2nc(SCc3nc4ccc(Cl)cn4c3Br)[nH]c2c1 9327402 PTEKBQAPQWUPHN-UHFFFAOYSA-N 438.694 4.827 5 40 IJBB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9493528 PHPLRBKCMJSSQB-QMMMGPOBSA-N 444.416 4.844 5 40 IJBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 10059771 KEBZSSMKBBSQKI-YADHBBJMSA-N 425.448 4.568 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 15410475 CBIFRUAITCRKSF-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cccs1 17097711 MZUXEZGRPHTGMI-UHFFFAOYSA-N 431.857 4.823 5 40 IJBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 20610942 BVPLEYLPFXGCQT-CSKARUKUSA-N 433.855 4.942 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 35242341 ZJSOMQZBRYPWBT-ZDUSSCGKSA-N 445.932 4.643 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2333379 KOLSFZHXAOUGKU-UHFFFAOYSA-N 441.491 4.593 5 40 IJBB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c2ccccc12 12897863 GUJFFICGKSICBK-KRWDZBQOSA-N 447.491 4.556 5 40 IJBB COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(-c4ccc(Cl)cc4)nc3oc2c1 2194961 QAZCXMVEZWVCSA-UHFFFAOYSA-N 444.874 4.880 5 40 IJBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2Br)cc1 27260940 GVZIUKWOQVKOGK-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38856358 FEOFENUXTBPAJT-UHFFFAOYSA-N 438.311 4.761 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 408637815 AFZFJGFVKNGGCR-SFHVURJKSA-N 445.475 4.996 5 40 IJBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2OC)cc1 6510976 DIURIYZWQHBUPT-UHFFFAOYSA-N 429.476 4.981 5 40 IJBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 9260910 UALPBKASMGNCSM-VAKHEIKFSA-N 429.454 4.626 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1Cc1ccccc1Cl 12527298 UVWHMDDXWPZALB-UHFFFAOYSA-N 442.906 4.692 5 40 IJBB O=c1[nH]c2cc(Br)c(Br)cc2c2ccc(Br)cc12 16953001 CEEMUAGAGOVOLG-UHFFFAOYSA-N 431.909 4.969 5 40 IJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(CN2CCOCC2)cc1 22358752 OROUUCRNCOILMW-UHFFFAOYSA-N 429.826 4.711 5 40 IJBB Cc1ccc(OC[C@@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCC2)c(C(C)(C)C)c1 226071750 MFRPAURBQGWJSB-QFIPXVFZSA-N 427.565 4.751 5 40 IJBB O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 1846019 DARCHGCFBMXFFD-UHFFFAOYSA-N 442.296 4.904 5 40 IJBB O=C(Nc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2271150 PGEKHQDXFYSANL-STZFKDTASA-N 427.416 4.751 5 40 IJBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)OCCO2 222657076 CAYAZZPJTOYMRA-HINJULBWSA-N 430.460 4.784 5 40 IJBB COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c(OC)c1 408840819 BWXIHELLIVLAIA-VGOFMYFVSA-N 444.852 4.825 5 40 IJBB CCOC(=O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 22076222 ALMUEAVJOKLJSV-UHFFFAOYSA-N 443.887 4.887 5 40 IJBB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 408920410 GNZHHIFWABSZPS-HKOYGPOVSA-N 431.467 4.623 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nccs1)C3=O 9328340 ISZYJXOVZBAYIE-SFHVURJKSA-N 433.445 4.524 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223358719 VEFOHXYIFVFNCN-FCHUYYIVSA-N 445.504 4.546 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224177955 XVPUCQVBUICMDJ-DHIUTWEWSA-N 441.516 4.958 5 40 IJBB O=C1N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409242357 RFHQYNWTMMXDMQ-DEDYPNTBSA-N 449.850 4.925 5 40 IJBB COc1cc(Cl)c(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 13880829 FIMAWGZPTBGNBL-IUXPMGMMSA-N 434.857 4.502 5 40 IJBB COc1ccc(N(C)C(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 408998055 HVUXNZVMQHITBL-UHFFFAOYSA-N 434.521 4.642 5 40 IJBB O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)Nc1ccc2c(c1)OCO2 2300283 YIVLWIOBCZVWII-QPJJXVBHSA-N 449.375 4.676 5 40 IJBB O=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)cc1 2789877 KXEMYNQMVJDVGN-UHFFFAOYSA-N 433.449 4.575 5 40 IJBB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 4575899 BKABMAUUXBWEBF-LJQANCHMSA-N 425.481 4.791 5 40 IJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 9111600 GYXVHJIRCCRLEK-GFCCVEGCSA-N 448.870 4.816 5 40 IJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)ccc1[N+](=O)[O-] 9703320 OYAVDBLYCRIELI-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 14082083 UHXIZKDLTRHHPZ-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl 17098226 FUPUJEDAUXBZEB-UHFFFAOYSA-N 432.914 4.807 5 40 IJBB O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 9469914 GKPGDAAWCHRZEX-NRFANRHFSA-N 437.839 4.744 5 40 IJBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C)nc2cc([N+](=O)[O-])ccc21 12591336 RKAGGRHJGJCNBW-UHFFFAOYSA-N 448.504 4.982 5 40 IJBB CC(C)c1cc(Br)ccc1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 95444933 XJPSGBHRTNNXSS-ZZXKWVIFSA-N 447.285 4.999 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409257886 UBNVFJSCVMOVLU-XMMPIXPASA-N 447.516 4.930 5 40 IJBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9668078 SWORZXBUEXVNLE-UHFFFAOYSA-N 427.464 4.991 5 40 IJBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1C 13633121 DAYMJGKPWMOTIF-UHFFFAOYSA-N 444.535 4.786 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33396823 WKAJIIQKMWYZRB-UHFFFAOYSA-N 446.828 4.543 5 40 IJBB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34689640 HALSHJASQADEBA-UHFFFAOYSA-N 446.282 4.744 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918352 JLFBKHVVHCZBJU-YCIYHOANSA-N 444.874 4.650 5 40 IJBB CCCN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409243794 UJNMKJPPKLGWHN-KGENOOAVSA-N 431.448 4.630 5 40 IJBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 8972212 QWQOSQSPCQLQLF-NDENLUEZSA-N 448.818 4.812 5 40 IJBB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 12870786 DCPFGJSOHSURRZ-LJQANCHMSA-N 433.942 4.957 5 40 IJBB O=C(N/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCC1)c1ccccc1 13304875 DWDKMQNIZBIIAF-XLNRJJMWSA-N 445.475 4.638 5 40 IJBB O=[N+]([O-])c1cccnc1Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 9120749 YNWRLGMBUXNHNG-UHFFFAOYSA-N 439.280 4.841 5 40 IJBB Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n2nc(C)c(-c3ccccc3)c2n1 9347976 ZVEZQTIDGHTHQE-UHFFFAOYSA-N 433.493 4.652 5 40 IJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2nc3c(F)cccc3s2)CC1 10166325 YHNBNCZNQGJALN-UHFFFAOYSA-N 442.497 4.521 5 40 IJBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12648426 FXFSVZSJHXEGJZ-MOSHPQCFSA-N 448.818 4.812 5 40 IJBB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9647119 LZJUYRZWZLDOHL-VIFPVBQESA-N 440.378 4.815 5 40 IJBB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10059805 SGZLPCHOFAAKHP-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1[N+](=O)[O-] 215101230 FOVZRSIUSGWCBQ-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB COc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc12 12485003 COVAEBRUTQHICL-UHFFFAOYSA-N 446.488 4.944 5 40 IJBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 14271076 FMBZYZSZWZPZDF-UHFFFAOYSA-N 448.715 4.999 5 40 IJBB COc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1OC 16992587 ZWVBEBFMLPVJEJ-UHFFFAOYSA-N 438.465 4.549 5 40 IJBB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2c1 20412373 STAHFKBVVWUXPK-UHFFFAOYSA-N 437.433 4.812 5 40 IJBB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 70010559 JQWHFHZWGWAKOC-UHFFFAOYSA-N 430.508 4.969 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(Cl)cc3Cl)nc12 10010674 HYJKMTXTWHBHIN-UHFFFAOYSA-N 442.280 4.846 5 40 IJBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372903 SJWBGFNWMCQBIQ-UHFFFAOYSA-N 442.475 4.926 5 40 IJBB Cc1ccc(-c2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)cc3sc(=O)oc23)cc1 16742464 HKDQOOBNJLPMBR-UHFFFAOYSA-N 437.429 4.723 5 40 IJBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 19629628 RXLIQKFNGJEBFR-UHFFFAOYSA-N 439.493 4.985 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223358777 VEFOHXYIFVFNCN-VXKWHMMOSA-N 445.504 4.546 5 40 IJBB O=C(O[C@H]1CCCCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1709213 FSXPLCYBQWUSEB-PMACEKPBSA-N 442.424 4.608 5 40 IJBB COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1OC 2220518 VXYUHWRJNVRCFI-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C 9064615 MGGBYUCLLPAUBJ-UHFFFAOYSA-N 440.437 4.507 5 40 IJBB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9190305 JUNRNRMGCVLZJX-UHFFFAOYSA-N 436.493 4.761 5 40 IJBB COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O 95470795 GRXMUSCXYFVVRN-UHFFFAOYSA-N 433.464 4.614 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409234997 AKPGPOXFVIUGFU-OEAKJJBVSA-N 443.459 4.575 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 808515 BLPZGRCOYZSZBK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(Nc1cccc(C(=O)Nc2ccccc2Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3101133 XSRAHEFLQBKVII-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB Cc1csc(Sc2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2[N+](=O)[O-])n1 3433263 YAASBFOSQKDFGO-GOSISDBHSA-N 442.566 4.544 5 40 IJBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224630824 KDPSLUNRKCWRMX-UHFFFAOYSA-N 439.704 4.779 5 40 IJBB CCc1nnc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)o1 408632454 QFCVMYUVLFAEOE-LFIBNONCSA-N 429.479 4.909 5 40 IJBB CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccs1 2662572 BBNRFZJQYHUXAU-SNVBAGLBSA-N 437.934 4.707 5 40 IJBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 16214948 WPBJOEMRJGASNH-UHFFFAOYSA-N 425.460 4.523 5 40 IJBB CC(C)(C)OC(=O)NCCCCCC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 5082022 VLMCTPFWZOAEEA-UHFFFAOYSA-N 425.481 4.937 5 40 IJBB CCC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 13955180 LUAZBDWMYYRXFW-UHFFFAOYSA-N 432.388 4.503 5 40 IJBB Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cccc1[N+](=O)[O-] 14412662 TWFWQZHLIIXHBQ-QFIPXVFZSA-N 437.477 4.523 5 40 IJBB CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc23)S[C@H]2CCCC[C@@H]12 85344907 JGGOUPGQNMDPGI-KUHUBIRLSA-N 433.533 4.593 5 40 IJBB Nc1cc2c(cc1Br)nc1cc(Br)c(=O)cc-1n2-c1ccccc1 3848525 FQRMMFXCLRKBDQ-UHFFFAOYSA-N 445.114 4.598 5 40 IJBB biogenic O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccccc1F 8792238 BZPXZBJKABURIR-UHFFFAOYSA-N 437.430 4.749 5 40 IJBB biogenic Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060317 DWQYBGOYPLVMPB-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 25535006 WSUNPMAWFMWNEQ-NEPJUHHUSA-N 441.709 4.998 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408918220 HSCDYRXYILKYCV-ZKKFKWFVSA-N 444.874 4.650 5 40 IJBB Cc1ccc(OCCN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 12630491 MKVSCQLUOCQEDG-JOCHJYFZSA-N 439.899 4.905 5 40 IJBB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1 17095288 AKYGEBXGLQTQIJ-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB Cc1nn(Cc2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 20011697 DOUXPPULMQZAJL-UHFFFAOYSA-N 433.512 4.699 5 40 IJBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408561381 IOKLMKNKJCQGCP-VZCXRCSSSA-N 446.872 4.756 5 40 IJBB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1CC 3280593 POODFUOUXWLLKO-UHFFFAOYSA-N 439.443 4.593 5 40 IJBB O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)Nc1ccccc1Sc1ccccc1 3445214 UDHJKOPNSXOMMV-UHFFFAOYSA-N 432.461 4.707 5 40 IJBB COc1cccc(CNC(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)c1 8877830 DCMCTYZPTBYHJZ-UHFFFAOYSA-N 433.467 4.531 5 40 IJBB biogenic CC(C)c1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2cnn(C(C)C)c2n1 10901781 QPGFONSSNWEONC-UHFFFAOYSA-N 429.908 4.969 5 40 IJBB Cn1ccnc1[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccc(F)c1 12601672 MFFYQUPRNWJZRX-QFIPXVFZSA-N 445.454 4.730 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 13002516 IFVFHJWZMAYYRK-UHFFFAOYSA-N 425.876 4.794 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 13550773 UZPYUKFZWIIQKV-XNTDXEJSSA-N 427.460 4.840 5 40 IJBB O=C(Nc1ccc(Br)cc1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 19642805 CIDKDICSKKEAOJ-UHFFFAOYSA-N 445.317 4.731 5 40 IJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)C(c1ccccc1)c1ccccc1 19647417 DQCCRRRILZACJQ-UHFFFAOYSA-N 448.529 4.850 5 40 IJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222897338 MKXCPEITEIBVJI-NHCUHLMSSA-N 438.509 4.641 5 40 IJBB O=C(Oc1ccccc1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 58423744 YHHAHUMASOCQIU-UHFFFAOYSA-N 429.782 4.588 5 40 IJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409212837 QYPUKZLYPINKLD-SGPNVBEDSA-N 444.465 4.541 5 40 IJBB Cc1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1F 12487025 OWKPVADVRBMVPD-UHFFFAOYSA-N 439.409 4.594 5 40 IJBB Cc1cc(C(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)c(C)[nH]2)cc(C)c1OC(F)F 89587301 WVXJWYAYJDMAMY-UHFFFAOYSA-N 444.438 4.784 5 40 IJBB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 107712552 HSWOMJDHMDVEOA-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 12756935 BOEOBQLHKWBBMH-MRXNPFEDSA-N 431.496 4.560 5 40 IJBB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 12924714 OZWVKXDRQOKBNC-OAQYLSRUSA-N 427.913 4.896 5 40 IJBB COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 89909834 OQYATFJIKPLPND-HNNXBMFYSA-N 427.482 4.577 5 40 IJBB COc1ccc(CCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 408922708 QXZOZYFVIBLLJA-CJLVFECKSA-N 432.476 4.512 5 40 IJBB O=C(N[C@@H](CCc1ccc([N+](=O)[O-])cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2243993 LNECVLOZWPLURT-QHCPKHFHSA-N 446.459 4.519 5 40 IJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(OCc2ccccc2)cc1 3348637 GTWQERHABMNTKP-UHFFFAOYSA-N 440.839 4.623 5 40 IJBB CC1=C(C(=O)OC(C)C)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 9289248 IAYJICHGIWOWDZ-IBGZPJMESA-N 426.860 4.838 5 40 IJBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NS(=O)(=O)c1ccccc1 10315215 VJNVWHWQYNSFET-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(F)cc1Cl 16699435 FTLBLQNXRRACFB-NSHDSACASA-N 432.791 4.831 5 40 IJBB COc1cc(/C=C2\SC(=S)N=C2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33155015 XOKYZMSXGFNSFX-CHHVJCJISA-N 433.423 4.633 5 40 IJBB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 19646805 FOUNFWATBRKHCV-UHFFFAOYSA-N 448.228 4.883 5 40 IJBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409130256 MHNYYKNSUPNZMQ-RIYZIHGNSA-N 441.303 4.680 5 40 IJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409208509 GKFARWOCYYVAQL-WOJGMQOQSA-N 444.465 4.543 5 40 IJBB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 9200073 CRZDZSQPJDAEDH-UHFFFAOYSA-N 446.488 4.889 5 40 IJBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 9708228 PLWSDSQPBPRFEZ-IBGZPJMESA-N 427.913 4.844 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1 17096757 KJFPZJDGTSVNFI-UHFFFAOYSA-N 430.283 4.637 5 40 IJBB Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 13305416 DHDLNRVNINVEDY-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 19642698 NAWMDEQZPGQPHO-UHFFFAOYSA-N 445.262 4.564 5 40 IJBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c(C)c1 408738228 QONJLMYUIXNHKD-QHCPKHFHSA-N 447.491 4.688 5 40 IJBB COc1cc(OC)cc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 6148250 MANYVNGKISUQEL-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)cc1 36619119 FUFNLYARMARKCG-CVEARBPZSA-N 444.495 4.704 5 40 IJBB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c(C)s1 40074234 MABLJRJZPFIDBT-KPZWWZAWSA-N 437.949 4.558 5 40 IJBB Cc1cc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)ccc1[N+](=O)[O-] 2791314 JKCBXARMLMTANF-UHFFFAOYSA-N 447.476 4.883 5 40 IJBB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 3430920 PXRPHEMKJXRGEJ-RMKNXTFCSA-N 436.295 4.792 5 40 IJBB aggregator CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1 9593976 KWESBEKFPVXHMV-GFCCVEGCSA-N 431.905 4.646 5 40 IJBB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408676270 MTPRTPDWZWKSGT-UHFFFAOYSA-N 429.432 4.735 5 40 IJBB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12561776 KEMKOUDZQRKCGN-UHFFFAOYSA-N 442.928 4.643 5 40 IJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 58244724 ZMUFHSVNPZKGSF-MRXNPFEDSA-N 441.509 4.689 5 40 IJBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 408604373 IKMZBZFRJMGVAI-GOSISDBHSA-N 449.916 4.644 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2298135 DQRUZZNRZHPCKW-UHFFFAOYSA-N 441.535 4.932 5 40 IJBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12561615 XMWZKNZIBMDOBD-RDPSFJRHSA-N 429.432 4.608 5 40 IJBB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 14738961 HEHFRMZSZMNJNI-UHFFFAOYSA-N 425.828 4.518 5 40 IJBB C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17527535 BAFSNDZIXXTIKW-DJTWPOEFSA-N 433.342 4.981 5 40 IJBB S=C(NCc1ccco1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 104541354 LSUPVNSHIQREIL-UHFFFAOYSA-N 436.500 4.959 5 40 IJBB Cc1nn(Cc2cccc(-c3n[nH]c(=S)n3CCc3ccccc3)c2)c(C)c1[N+](=O)[O-] 2793638 ZDGZUIKLKHPGDU-UHFFFAOYSA-N 434.525 4.620 5 40 IJBB O=C(COc1ccc(F)cc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414307 IAEDPUQRSLGOBJ-UHFFFAOYSA-N 449.394 4.750 5 40 IJBB CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 14273655 YUBGIDPEXDRMAW-UHFFFAOYSA-N 440.887 4.512 5 40 IJBB COc1ccc([C@@H](CC(=O)c2ccc(F)cc2)Cc2onc(C)c2[N+](=O)[O-])cc1OC 19872729 IWFUIFPWIGJWNQ-INIZCTEOSA-N 428.416 4.647 5 40 IJBB Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1C 408737186 LSXZVXPFTVVEQO-HSZRJFAPSA-N 447.491 4.688 5 40 IJBB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1cccc([N+](=O)[O-])c1 2247515 BONNVDZWDSRAQP-UHFFFAOYSA-N 436.431 4.619 5 40 IJBB COc1ccc(CCn2c(-c3ccc(C)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2364388 HFWWJDCGUYKYSN-UHFFFAOYSA-N 438.483 4.730 5 40 IJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 25534992 WSUNPMAWFMWNEQ-NWDGAFQWSA-N 441.709 4.998 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222851726 SYBHXKUOADQRRI-LEWJYISDSA-N 438.509 4.639 5 40 IJBB COc1ccc2c(=O)c3c(nc(-c4ccc([N+](=O)[O-])cc4)n4c5ccccc5nc34)oc2c1 9002143 ALZIOQZBSPOSTJ-UHFFFAOYSA-N 438.399 4.726 5 40 IJBB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 19630639 GYVCCHOYXMGRTH-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 3015412 LXHSMDOFVSAHQE-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17103104 BHAHJLDIDUGFAH-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB O=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 35668629 XJQWDHIXZLVEPA-UHFFFAOYSA-N 446.007 4.633 5 40 IJBB Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cccc1[N+](=O)[O-] 57243087 PVAIHVYYTVJCJP-UHFFFAOYSA-N 448.498 4.617 5 40 IJBB O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(I)c1O 81221226 FVWSDDOURNODEZ-UHFFFAOYSA-N 444.534 4.639 5 40 IJBB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100288362 YBJOVXXZHNZIQM-BQYQJAHWSA-N 429.776 4.729 5 40 IJBB COc1ccc(C)cc1NC(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)cc([N+](=O)[O-])c1 669866 YFQYMZOLUALUEE-UHFFFAOYSA-N 449.463 4.733 5 40 IJBB CCCCn1c(-c2cccc(Br)c2)nc2oc3ccccc3c(=O)c2c1=O 2342090 PZAIZZMSCVGXET-UHFFFAOYSA-N 425.282 4.733 5 40 IJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 4016005 LWDDOUINTHHAAH-LJQANCHMSA-N 446.257 4.795 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 10059775 KWYNUJKVCACJPF-YADHBBJMSA-N 425.448 4.568 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 12531365 BSXRYVYWOKXRAZ-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 58003723 GEXAOUXWLMYDNG-UHFFFAOYSA-N 443.529 4.505 5 40 IJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2235032 PYFKIQUGLYHYHL-UHFFFAOYSA-N 448.324 4.765 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2309023 JSXRETYEFMPAKR-UHFFFAOYSA-N 447.498 4.535 5 40 IJBB CCOC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c3ccccc3ccn12 13218767 XNKCXUOOZIXYHB-UHFFFAOYSA-N 438.421 4.632 5 40 IJBB COc1ccc(-c2c([N+](=O)[O-])c([N+](=O)[O-])c(-c3ccc(OC)cc3)c3nsnc23)cc1 2362797650 IALLASVJRDYITK-UHFFFAOYSA-N 438.421 4.859 5 40 IJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc(C(F)(F)F)c1 9404459 VZUYXAWSXGJAGZ-UHFFFAOYSA-N 434.399 4.798 5 40 IJBB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17097063 YUXUTUNKPPSKPC-UHFFFAOYSA-N 430.555 4.624 5 40 IJBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142986 MLMUGSQRZKUTGS-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 59477633 PNAVVGWFFZEKEO-DHZHZOJOSA-N 437.883 4.870 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 409189839 JEPDMOKVIHFNAN-KNTWBIPSSA-N 440.411 4.558 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc12 409359043 MOGRDMGZEYCROB-CIAFOILYSA-N 448.456 4.676 5 40 IJBB NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2760804 DPOQDVWVCBWSBS-UHFFFAOYSA-N 436.276 4.981 5 40 IJBB CC[N+](CC)(CC)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705793 JVQTZEAYDQOSMZ-XNQZQSBYSA-N 431.685 4.973 5 40 IJBB COc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc([N+](=O)[O-])cc1 17045823 PTWANMUZOAJHQM-FQEVSTJZSA-N 440.459 4.930 5 40 IJBB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538488 KGVNEXLSNKDKEI-IBGZPJMESA-N 447.557 4.518 5 40 IJBB Cc1nc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 409189558 QJKQSTBYEITIEF-CPSFFCFKSA-N 441.252 4.806 5 40 IJBB Cc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c([N+](=O)[O-])c1 2788713 KMKYALGLJWSCNM-UHFFFAOYSA-N 447.476 4.883 5 40 IJBB Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)[C@@H](F)C(F)(F)F)cc2[N+](=O)[O-])cc1 6245487 CGTBJXCDRBCMFT-AWEZNQCLSA-N 442.337 4.914 5 40 IJBB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13135046 UJIICLOCLZEUQP-LBPRGKRZSA-N 443.506 4.609 5 40 IJBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc([N+](=O)[O-])cc1)n1c3ccccc3nc21 9109196 HVYVOWPWODPTDR-UHFFFAOYSA-N 435.443 4.946 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(C)cc1)OC2=O 11851804 FJIFYBOBIPQWRT-OAQYLSRUSA-N 432.432 4.618 5 40 IJBB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 59365865 UELCISRTNFLYSE-UHFFFAOYSA-N 432.461 4.838 5 40 IJBB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] 59484376 BUQSQCYDCOZAJN-UHFFFAOYSA-N 435.267 4.707 5 40 IJBB CCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409180697 UJCDGRAMQAJRGP-QHCPKHFHSA-N 432.432 4.724 5 40 IJBB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474795 JOAZJBSQDPELNE-UHFFFAOYSA-N 437.525 4.954 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060272 RDNAJHPRTMPXRM-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 16292913 IBXZIIJLYPAIDE-IBGZPJMESA-N 446.459 4.792 5 40 IJBB Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1I 17097188 ZRKUGODICIJRCZ-UHFFFAOYSA-N 430.629 4.722 5 40 IJBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F 409073012 UNPYIJGQYHDORO-LICLKQGHSA-N 441.802 4.740 5 40 IJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1 3066757 HKCACSKCGOEAPR-UHFFFAOYSA-N 431.385 4.753 5 40 IJBB Cc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1[N+](=O)[O-] 12928466 NADPTXLAKIWKPY-UHFFFAOYSA-N 426.476 4.745 5 40 IJBB O=C(CSc1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 13131576 BYPDLFNUDGEONQ-UHFFFAOYSA-N 447.560 4.621 5 40 IJBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052733 PKEUJOQVASMDDV-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 408563099 IMZMSWZSAJNPQJ-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3239108 UGBITVWTMVUOON-UHFFFAOYSA-N 438.867 4.952 5 40 IJBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)(C)C)cc1 8691493 WGXNPTNIXGROQI-QNGOZBTKSA-N 447.491 4.849 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 10186530 YHZFTJZRKNFKOO-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCc1cccs1)c1ccccc1 15982063 KAERQQOQTZLGFA-GOSISDBHSA-N 446.326 4.888 5 40 IJBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408838729 HPEDCVPCLXUQQS-CPNJWEJPSA-N 448.818 4.812 5 40 IJBB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2095292 LZOBUMPQZZLGIG-IBGZPJMESA-N 441.480 4.554 5 40 IJBB biogenic CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 5070682 TZSILJTZDGVKQM-GOSISDBHSA-N 425.481 4.853 5 40 IJBB CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 9604239 KNYORZVFKOOUOG-UHFFFAOYSA-N 442.541 4.592 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2407008 PPBCZSWONMDXFS-INIZCTEOSA-N 441.535 4.825 5 40 IJBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9300137 GNCOKQSONDGTHH-JTHBVZDNSA-N 446.419 4.754 5 40 IJBB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 11198826 PFNPOKADZWBJEX-UHFFFAOYSA-N 437.253 4.924 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc21 2356202 CZFBDGNEDZJFIQ-UHFFFAOYSA-N 431.854 4.697 5 40 IJBB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 3300705 LBCKDSODVLQOMJ-UHFFFAOYSA-N 440.839 4.623 5 40 IJBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)o1 408631041 BRYAYCOANQUFLR-LZYBPNLTSA-N 447.856 4.833 5 40 IJBB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409365096 XJZJATDAJFNAMT-MOSHPQCFSA-N 440.477 4.693 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 2754130 ZNXZPROGBHXQJC-JTQLQIEISA-N 435.933 4.812 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)nc12 10010666 PSWFRSGITLEJKI-MRVPVSSYSA-N 442.280 4.926 5 40 IJBB O=c1cc(CSc2nnc(NC[C@H]3CCCO3)s2)c2c(ccc3ccccc32)o1 16330961 BUJPLHXTTYLYFA-OAHLLOKOSA-N 425.535 4.681 5 40 IJBB Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] 36611139 OONYATIMMUZOSM-QGZVFWFLSA-N 443.507 4.738 5 40 IJBB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 9404456 HJALVNYEBIMTDV-UHFFFAOYSA-N 438.509 4.959 5 40 IJBB Cc1ccccc1CSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1C 13566155 KMXNDKUSYBSVHC-UHFFFAOYSA-N 426.545 4.932 5 40 IJBB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 19642701 KUKGNJWVSMMJIL-UHFFFAOYSA-N 445.262 4.564 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 35146757 QOHHSJVTVWBKPO-UJKMTWAASA-N 430.847 4.645 5 40 IJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)N2CCCCC2)cc1 44086547 MPMPZUQCHIMGLQ-UHFFFAOYSA-N 436.537 4.861 5 40 IJBB O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 79482372 HNZOQONZEPWAMS-UHFFFAOYSA-N 444.491 4.970 5 40 IJBB Cc1c(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c2ccccc2n1Cc1ccccc1Cl 409348699 OPTCVOJLUUZCRR-ZHACJKMWSA-N 436.855 4.931 5 40 IJBB Cc1ccc2oc3cc(NCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 8964816 NNPXLZIPVKJQAH-UHFFFAOYSA-N 439.515 4.757 5 40 IJBB biogenic CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccs1 9539590 INNYEQIEVFZGSS-JTQLQIEISA-N 437.934 4.707 5 40 IJBB COc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 9829672 QJNOYSBKWRSBGM-JXMROGBWSA-N 446.488 4.855 5 40 IJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C 408544851 VPPNVXAJSUQOPE-ZRDIBKRKSA-N 437.452 4.786 5 40 IJBB O=C(CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1F 409217291 OSEZAYJSBHWCDF-OEAKJJBVSA-N 439.446 4.664 5 40 IJBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)cc1Cl 8902536 IPBDAHULTKQQNJ-UHFFFAOYSA-N 441.871 4.906 5 40 IJBB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9202133 RHKQZLQHOBGXBP-MRXNPFEDSA-N 432.432 4.584 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(C(F)(F)F)nc4ccccc34)o2)cc1 9256307 FZIBRSQEHORXQK-UHFFFAOYSA-N 433.371 4.899 5 40 IJBB CSc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 10822324 QXLWXOONDHFVDA-UHFFFAOYSA-N 440.521 4.556 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408817620 YCDMQPAWCURNJA-YVLHZVERSA-N 448.884 4.892 5 40 IJBB CC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 409181150 XWHDGCZHKMDJMV-UHFFFAOYSA-N 439.489 4.944 5 40 IJBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccccc2OCc2ccc(Cl)cc2Cl)nc1O 409341280 AVUFWUPFTXWDAD-VURMDHGXSA-N 434.235 4.852 5 40 IJBB O=C(CSc1nc2ccccc2c2ccccc12)N1CCN(Cc2ccccc2)CC1 19690904 JTTRIRFTRNXYQL-UHFFFAOYSA-N 427.573 4.825 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 726718 MCNWONKSIUGNBT-LSSDNNNWSA-N 438.483 4.648 5 40 IJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769857 ALSRIJGLSSWUOT-UHFFFAOYSA-N 427.342 4.634 5 40 IJBB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6924899 SEVFJMYFKIJJJA-QFIPXVFZSA-N 446.419 4.503 5 40 IJBB CNC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CC[C@H](C)C2 12064272 JNMLPUJWQQRMLW-ZDUSSCGKSA-N 446.528 4.744 5 40 IJBB Cc1nc([N+](=O)[O-])c(Br)n1Cc1csc(Cc2ccc(Cl)cc2)n1 64332926 YPKOYSUKPYXWNQ-UHFFFAOYSA-N 427.711 4.611 5 40 IJBB C[C@@H](NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 3268832 OKKRGRDFWQTWHQ-RTBURBONSA-N 443.503 4.733 5 40 IJBB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284425 QZNHFDDIVPRORN-UHFFFAOYSA-N 448.806 4.541 5 40 IJBB COc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)cc1[N+](=O)[O-] 8685985 BASPHMFTIXKEJO-UHFFFAOYSA-N 448.504 4.982 5 40 IJBB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl 22907863 LPBLDCGNFQFCID-HXUWFJFHSA-N 441.940 4.839 5 40 IJBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2149396 LJCVKJJHESXOSF-VLIAUNLRSA-N 425.481 4.791 5 40 IJBB biogenic O=[N+]([O-])c1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 2790035 KERDKVMEZAZUGS-UHFFFAOYSA-N 433.449 4.575 5 40 IJBB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1C 12648403 AUAVWOHDSNADQO-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 17095370 JFKYYCFNQHYYOS-FMIVXFBMSA-N 427.464 4.851 5 40 IJBB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=N 20220729 NTTQSAMQRPYYDO-UHFFFAOYSA-N 449.444 4.588 5 40 IJBB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 408736694 FQGXGUUXGFTOMI-QHCPKHFHSA-N 447.491 4.688 5 40 IJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2412282 SJUILCPRNPMXLX-UHFFFAOYSA-N 441.535 4.592 5 40 IJBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc2ccccc21 9202335 IBOFIEZTNKBSSI-UHFFFAOYSA-N 439.522 4.819 5 40 IJBB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 9427312 BHMCGXWUPKVYQV-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225335549 GWLZWKPQKOMFGB-UHFFFAOYSA-N 438.490 4.581 5 40 IJBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Cl)ccc1OC 408675003 OOFYUOQWXCTMAF-UHFFFAOYSA-N 432.889 4.510 5 40 IJBB CCOc1ccccc1-n1nnnc1SCc1cc(=O)oc2ccc3ccccc3c12 3515710 KKKCHPKWFITZIX-UHFFFAOYSA-N 430.489 4.613 5 40 IJBB Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(N)=O 12040469 VFFWSQNQJDJDEK-UHFFFAOYSA-N 429.885 4.560 5 40 IJBB CCOC(=O)c1sc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CCCC2)nc1C 13961260 AVFPJNDAGHVVBE-UHFFFAOYSA-N 437.905 4.779 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1[N+](=O)[O-] 16162145 NMFQHNRMRSPVEB-UHFFFAOYSA-N 431.452 4.542 5 40 IJBB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563128 KJTRHDUNYBGNGI-UHFFFAOYSA-N 432.476 4.861 5 40 IJBB O=C(Nc1ccccc1I)c1cc2c(ccc3ccccc32)oc1=O 2267350 VTFNFSCOXWXJJT-UHFFFAOYSA-N 441.224 4.803 5 40 IJBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1OC 408546476 JYSBSNKHCPTRKE-UHFFFAOYSA-N 438.387 4.634 5 40 IJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)cc1[N+](=O)[O-] 26531640 PJJUAUMZSXDGSH-LICLKQGHSA-N 438.490 4.785 5 40 IJBB COc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 9583857 BUOQMXKQXVQWEN-UHFFFAOYSA-N 438.461 4.550 5 40 IJBB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 10119237 PYKNYFXLDGSWLB-UHFFFAOYSA-N 449.850 4.998 5 40 IJBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1N1CCCCC1 12555015 DMQZNHOMTJHKKR-MRXNPFEDSA-N 430.936 4.698 5 40 IJBB CCCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 408567407 MUCOFRRVEAEEAV-UHFFFAOYSA-N 436.258 4.576 5 40 IJBB Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)c(C)c1 1464952 MGJSMYLKRHQPFU-UHFFFAOYSA-N 431.539 4.722 5 40 IJBB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 9428614 RRHPGGBTESHXSN-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 10696667 NWUJJXMKQJTVLM-UHFFFAOYSA-N 449.847 4.615 5 40 IJBB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)on1 11008484 JTEPLAKNVGQQBZ-LBPRGKRZSA-N 445.815 4.521 5 40 IJBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 224527179 KXWLSOSJJIWHED-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12520562 CGGZIBHMLCPWCX-UHFFFAOYSA-N 446.457 4.558 5 40 IJBB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 14405560 YCFGDANJTJHPGX-UHFFFAOYSA-N 435.484 4.713 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1 57317067 BBJAACLBHDTUNU-NYYWCZLTSA-N 427.254 4.947 5 40 IJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 11196732 NRAPDNVSNIEESY-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 12617922 ZDGUOMXWYDRRGD-UHFFFAOYSA-N 432.505 4.918 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 223066302 CPLDEDJNSSLCJH-DPOKWSEZSA-N 443.547 4.766 5 40 IJBB COC(=O)c1ccccc1OCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 8974691 KZQFUFNNFUGMJZ-UHFFFAOYSA-N 427.460 4.612 5 40 IJBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 9064890 PROMFCULANPRJQ-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3C)c(=O)[nH]c2c1 9076003 YEOKYGNUEDNBGQ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c(=O)n1-c1ccccc1 23143742 YNVJSZXYCKIXBG-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(OC)cc(OC)c1 408824541 IEPRFUNCADAZGI-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 409212629 RPUXYLZNHOYUQJ-RCCKNPSSSA-N 433.489 4.724 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9829680 DSTVAYOKXAPFCX-RMKNXTFCSA-N 434.452 4.985 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 10059776 KWYNUJKVCACJPF-FGZHOGPDSA-N 425.448 4.568 5 40 IJBB Cc1ccc(-c2n/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)sn2Cc2ccccc2)cc1 102431501 ZGVHVIXUOYSAMW-WJTDDFOZSA-N 430.489 4.618 5 40 IJBB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15554494 XVWNHTMVEDYTKQ-NTEUORMPSA-N 429.476 4.749 5 40 IJBB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3297559 DEVZYPCFWWUCKY-UHFFFAOYSA-N 433.464 4.937 5 40 IJBB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10475557 YVQQAGQWHITWAG-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409181021 YJSUTLKVYUOQNF-VWLOTQADSA-N 446.459 4.789 5 40 IJBB Cn1c(C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc21 10115997 HAGSGRGYGJZHOF-IBGZPJMESA-N 434.883 4.849 5 40 IJBB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14389165 CQNZSIOOJUINNX-UHFFFAOYSA-N 449.511 4.686 5 40 IJBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)c1ccc([N+](=O)[O-])cc1 39759127 TWJQLDSUCHJVJQ-UHFFFAOYSA-N 445.460 4.618 5 40 IJBB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408637782 ABSIYVNWTZSSMF-GOSISDBHSA-N 445.475 4.996 5 40 IJBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1[N+](=O)[O-] 408678775 DAJXHKMVUOPWJO-OAHLLOKOSA-N 429.432 4.794 5 40 IJBB CCCCNC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 3114916 FBLFGHMKKQMJMS-PGMHBOJBSA-N 433.464 4.542 5 40 IJBB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)c1 223951248 QEBPQFNZYSYCNV-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223317783 QCJBNWZMOMMQIH-LJQANCHMSA-N 445.947 4.513 5 40 IJBB O=C1c2ccccc2C(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 1452883 MQMXFYSBSGSTDV-UHFFFAOYSA-N 426.863 4.687 5 40 IJBB COc1cccc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)c1 11758405 VLIXYIBISICFCB-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 13322556 OEZBCTQDIGERBB-SNVBAGLBSA-N 435.933 4.812 5 40 IJBB O=C1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 36611225 CYZUYGNTKLBRLG-RBUKOAKNSA-N 442.899 4.801 5 40 IJBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408559689 BDLYTCGCWBXTAV-GYHWCHFESA-N 443.500 4.986 5 40 IJBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408565427 BVOMFNXBZNMWAA-OAQYLSRUSA-N 442.541 4.710 5 40 IJBB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2cc1C 10120455 DMSQUYSMAGBLJI-UHFFFAOYSA-N 431.448 4.715 5 40 IJBB CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 12140860 UDELRXJAQRBIFP-UHFFFAOYSA-N 442.541 4.592 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 408917951 DCNOCYLOZJPPCV-NFJKTXFASA-N 444.874 4.650 5 40 IJBB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F 409106916 NMCWTLAVOLNNFZ-YVLHZVERSA-N 441.802 4.740 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 976412 STJGENSOJLBYOJ-SFHVURJKSA-N 430.917 4.978 5 40 IJBB COC(=O)c1ccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 13749679 IRIFTAIIXPTRIT-GMAHTHKFSA-N 429.432 4.624 5 40 IJBB CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16777619 AOMNEZQAERGFRW-UHFFFAOYSA-N 449.492 4.719 5 40 IJBB Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cs2)o1 58103908 VNOKQAQLOZJFDO-UHFFFAOYSA-N 426.479 4.924 5 40 IJBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccccc1 2317931 AQGRBIZNZBPGGB-UHFFFAOYSA-N 445.526 4.894 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 13305418 PWKBVOSYDXTGAV-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB CCCCNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897820 GLXJCWOYZNPPSS-UHFFFAOYSA-N 428.445 4.550 5 40 IJBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 408559499 VQHJBMAWBQLQFO-UHFFFAOYSA-N 435.480 4.932 5 40 IJBB CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(OC)ccc1OC 408830368 ODHIOHNDZFWEMR-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 994615 WZBWMKAODQRXSI-LJQANCHMSA-N 433.449 4.932 5 40 IJBB O=C(OCc1cn2cc(Br)ccc2n1)c1cc2cc([N+](=O)[O-])ccc2s1 61009364 GLMUVDZMXQJHBF-UHFFFAOYSA-N 432.255 4.577 5 40 IJBB CCn1/c(=N\C(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21 2641898 LZGWJVQSUBKBEH-DYLVBWQHSA-N 438.328 4.596 5 40 IJBB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 8586911 LPPYSAZDMLQSAY-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 9142365 YBRWWDUMRWHXFN-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 16282716 CUXNMXKSXJIMHO-UHFFFAOYSA-N 447.476 4.542 5 40 IJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408812323 MRFPJIRWLBNXIW-SXGWCWSVSA-N 434.857 4.502 5 40 IJBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 409340703 ARDILAIUEPULBR-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC1CCCCCC1 8792106 OSWIATOBJQAHKZ-UHFFFAOYSA-N 439.515 4.810 5 40 IJBB biogenic Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10059799 NJKYZRSTXAXTIQ-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C 225676927 LIVJGQARNSJFEZ-UHFFFAOYSA-N 426.469 4.619 5 40 IJBB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 1151363 DJTYDQJIFQNPOI-MOSHPQCFSA-N 435.461 4.631 5 40 IJBB Cc1ccc(C(=O)C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCc2ccccc2)cc1 1906246 PUHVQEQWZCYZIO-KQWNVCNZSA-N 428.488 4.919 5 40 IJBB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 9427460 FJYNJEUJQSYPFF-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225589024 CXSBHRRNSZVOHU-OXJNMPFZSA-N 445.947 4.513 5 40 IJBB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(F)cc2c(=O)c4cc(F)ccc4[nH]c12)CC3 681957596 SCPIQOBYHKAHLI-UHFFFAOYSA-N 443.453 4.948 5 40 IJBB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccc(F)c([N+](=O)[O-])c1 3330124 SAXHRAUBNSDPPR-UHFFFAOYSA-N 442.403 4.562 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C)nc2sc3c(c12)CCC3 3563278 AAHKBXYOSVIZIJ-JTQLQIEISA-N 444.538 4.525 5 40 IJBB CC(C)(C)c1cc(C(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 6305167 DPYICQJNWFXNCL-UHFFFAOYSA-N 426.513 4.663 5 40 IJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 9200234 USMZOJOZYOHNKA-UHFFFAOYSA-N 439.234 4.542 5 40 IJBB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c([N+](=O)[O-])c1 13145525 YYLFIYOHKDZBEZ-LJQANCHMSA-N 449.492 4.764 5 40 IJBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Cl 22907866 LPBLDCGNFQFCID-FQEVSTJZSA-N 441.940 4.839 5 40 IJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnn1Cc1ccccc1 23228446 PDLWLNDUNSVHSA-UHFFFAOYSA-N 436.415 4.589 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 33399906 YOZUPNZBCWDKDV-CYBMUJFWSA-N 445.932 4.643 5 40 IJBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409357916 KOVLXCWCZIIMRS-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1cccc(C2=N/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C(=O)O2)c1 2069082 FMOFWVPLCPDUKN-XDHOZWIPSA-N 445.387 4.948 5 40 IJBB Nc1nc(Nc2cccc(Cl)c2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 9357442 WUYXHHYDCSZNBB-UHFFFAOYSA-N 438.919 4.823 5 40 IJBB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12179226 FKTOLQLTFAYKSN-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB CCc1nc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633288 XOEIRXGCSDRWHV-LFIBNONCSA-N 428.495 4.644 5 40 IJBB O=C1N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2S(=O)(=O)N1c1ccc(Cl)cc1 2694082 BYAOIQQRMKWZTP-UHFFFAOYSA-N 443.868 4.584 5 40 IJBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409075920 VJEXEEJJSYFHCX-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1nc(-c2ccccc2)sc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 539469777 ZPIFRBXFNLVEEI-UHFFFAOYSA-N 438.494 4.548 5 40 IJBB Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] 2661284 AAMFATWXUKFFJA-UHFFFAOYSA-N 447.476 4.919 5 40 IJBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 24190379 NLTHMKMKWWCSRB-UHFFFAOYSA-N 441.491 4.665 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38856362 KLSXTAGJGFBWIE-UHFFFAOYSA-N 438.311 4.761 5 40 IJBB CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 57585484 OQZVACOEJAZNGP-SFHVURJKSA-N 440.725 4.936 5 40 IJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)Cc1cccs1 14999486 FFJXHRQTOBIOBI-UHFFFAOYSA-N 425.510 4.695 5 40 IJBB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 19630656 UUJBIUWUFZDZQB-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB Cc1c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc2c1oc(=O)c1ccccc12 55402555 PTVHXLCIZXJROP-IBGZPJMESA-N 425.481 4.709 5 40 IJBB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 408595291 LXQKISFMGIXRQR-UHFFFAOYSA-N 448.504 4.913 5 40 IJBB C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] 408534852 MRENOWURRCEOAB-LRELXJSQSA-N 433.214 4.614 5 40 IJBB COc1cc(CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F 8726870 NYDIQNQRMHOADG-UHFFFAOYSA-N 438.452 4.732 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ncccc3o2)cc1 57333603 FHGMGSCOEHRZLW-UXBLZVDNSA-N 434.839 4.781 5 40 IJBB CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1 9593972 KWESBEKFPVXHMV-LBPRGKRZSA-N 431.905 4.646 5 40 IJBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 13856558 QXHSVVXMTDFOKW-UHFFFAOYSA-N 448.431 4.532 5 40 IJBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2cc([N+](=O)[O-])ccc21 33636422 GAPGLUKMXOZCED-UHFFFAOYSA-N 434.477 4.673 5 40 IJBB Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408739121 XWOIMUPFEOBKIP-JOCHJYFZSA-N 447.491 4.688 5 40 IJBB COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409272410 QCHLXOBDANOLGD-UHFFFAOYSA-N 442.474 4.648 5 40 IJBB CC(C)CCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792386 QIOBJSUZTMFSJC-INIZCTEOSA-N 427.504 4.522 5 40 IJBB biogenic CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 9604234 DYUKHVRKPAEANA-UHFFFAOYSA-N 442.541 4.592 5 40 IJBB COc1ccccc1-c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 9614795 JGLBAYTZBMNIOV-UHFFFAOYSA-N 446.488 4.826 5 40 IJBB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 20197181 JOYPLAFONAIYOA-UHFFFAOYSA-N 432.889 4.515 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224178062 XVPUCQVBUICMDJ-XZOQPEGZSA-N 441.516 4.958 5 40 IJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N(C)Cc2ccccc2)CC1 89553069 XXLFZYIEKRLHSY-MJGOQNOKSA-N 444.963 4.562 5 40 IJBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3[N+](=O)[O-])sc1C2 409051791 CRZIPRHTWFBXKY-UHFFFAOYSA-N 446.282 4.646 5 40 IJBB CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccc([N+](=O)[O-])c1 12413666 BXGUFJHDCMDCPJ-UHFFFAOYSA-N 426.542 4.751 5 40 IJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2211309 VLJSGRGIRBFNQR-UHFFFAOYSA-N 447.926 4.672 5 40 IJBB O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N12 2964403 CUEZYTFSQWHIHW-NRFANRHFSA-N 442.500 4.729 5 40 IJBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 6510926 UIJXTLKXRGPKDZ-UHFFFAOYSA-N 444.447 4.881 5 40 IJBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1Cl 20610830 SLKOIYMEKYCVGH-BJMVGYQFSA-N 449.854 4.643 5 40 IJBB C[C@@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@@H]3[C@H](C(=O)N(c3ccccc3)c3ccccc3)[C@@H]12 213641202 JNMZYVOWRZCJKC-VQVZRVNCSA-N 446.503 4.531 5 40 IJBB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O 2353013 YKAIGWIWQRRKJJ-YVLHZVERSA-N 443.246 4.740 5 40 IJBB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 9413656 VRIYDPACUAAMIS-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 9703913 SZFDLILOFSUSMJ-UHFFFAOYSA-N 427.464 4.991 5 40 IJBB O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 58417427 WKYDOJOERDSZFM-UHFFFAOYSA-N 425.872 4.907 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 59433412 ARNBKQMSGYPKIL-ZOVQAKDCSA-N 438.483 4.864 5 40 IJBB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3451442 MBCUFAZECJTRPP-GFCCVEGCSA-N 437.506 4.781 5 40 IJBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6444231 YLBPZRFMUJAPQQ-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1Cl 8915128 IOQKGPFNLGTMKN-UHFFFAOYSA-N 437.776 4.627 5 40 IJBB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)c1 20795965 SERUULPUSWOVIF-KRWDZBQOSA-N 445.504 4.546 5 40 IJBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 106698384 OXGYFMLSLKKFCT-NVNXTCNLSA-N 437.246 4.733 5 40 IJBB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 1417267 YVGBSSRUSISABZ-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1C 408736920 JUBQFTGPNJJDRP-HSZRJFAPSA-N 447.491 4.688 5 40 IJBB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 9545982 XKIZZTAUVDNCET-SNVBAGLBSA-N 442.415 4.595 5 40 IJBB Cc1cc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)c(S(C)(=O)=O)s1 17198246 MIPHHVTZKBLFEQ-FQEVSTJZSA-N 441.534 4.724 5 40 IJBB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 19842996 QCDZSXCBVGMKDM-LJQANCHMSA-N 439.497 4.938 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 408918218 HSCDYRXYILKYCV-NFJKTXFASA-N 444.874 4.650 5 40 IJBB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 24495215 ZTIOPSHHZLGXBO-UHFFFAOYSA-N 425.913 4.596 5 40 IJBB O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)cc1 24522948 ZSNRCQFKQFHAGA-UHFFFAOYSA-N 445.880 4.579 5 40 IJBB O=C(OCC(=O)N1CCCCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 14129503 OLQQJSUVCVZJLZ-UHFFFAOYSA-N 432.860 4.600 5 40 IJBB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc3ccccc3c2n1 40384510 JZZCLRRJJFIDTJ-UHFFFAOYSA-N 445.544 4.733 5 40 IJBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 409332974 UARNGGNDIBVQFH-UHFFFAOYSA-N 443.872 4.521 5 40 IJBB Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1586676 JIBWSIMXXCBSBE-UHFFFAOYSA-N 436.342 4.813 5 40 IJBB CCOC(=O)c1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2222957 MPTSUVGKNZXQEF-UHFFFAOYSA-N 439.431 4.721 5 40 IJBB O=C(O[C@H]1CCCCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 16918875 FSXPLCYBQWUSEB-BGYRXZFFSA-N 442.424 4.608 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222634355 RPFGMBYKVVQZPW-DYXDTQHNSA-N 436.493 4.848 5 40 IJBB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409356838 GWSWUCZWEZNJRP-CIAFOILYSA-N 448.456 4.676 5 40 IJBB COc1ccc(CCN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1OC 19890947 PIZBITNPJQTWDW-UHFFFAOYSA-N 431.488 4.666 5 40 IJBB biogenic O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1nccs1 44086075 HGGMBTOOWAQQFR-UHFFFAOYSA-N 437.506 4.635 5 40 IJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 9158225 BOUXTUYOOMQXSJ-CYBMUJFWSA-N 433.899 4.917 5 40 IJBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 10059769 HEEGZWWWJXZAJE-VXKWHMMOSA-N 425.448 4.568 5 40 IJBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 6143782 APRQFNBOJYVDLO-UHFFFAOYSA-N 430.355 4.591 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409178941 KVQQECFGMLWNLS-XMMPIXPASA-N 447.516 4.664 5 40 IJBB Cc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 3206794 PAQGBFGTQAYWSX-UHFFFAOYSA-N 425.238 4.928 5 40 IJBB Cc1ccccc1OCC(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414298 SXDNBUOUKYMMAS-UHFFFAOYSA-N 445.431 4.919 5 40 IJBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 12650317 CCKASUBJFFNMKN-JOCHJYFZSA-N 428.448 4.528 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1C 12921555 MNACOKKDFXYINJ-NRFANRHFSA-N 427.551 4.921 5 40 IJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1Cl 17095286 SETVUHDCRJDKIJ-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 408649060 ZHWSXSUTCMVGHP-SFHVURJKSA-N 445.475 4.996 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 409232267 PRDHLNVVOYEOGY-WOJGMQOQSA-N 437.839 4.910 5 40 IJBB COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N32)cc1 12062445 RSBJEZXJRKBQLG-FQUZAXHOSA-N 426.472 4.591 5 40 IJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 16312466 JBUICIZQHYFPGG-YFHOEESVSA-N 437.452 4.705 5 40 IJBB COc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352156 SBXUCIUHBBPSOI-QPPBQGQZSA-N 431.448 4.854 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268295 SBDUTFCYVOKTDK-UHFFFAOYSA-N 439.280 4.991 5 40 IJBB O=[N+]([O-])c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)N=c3ccccc3=c3ccccc3=N2)cc1 1556525 NUWFNNOGPCUBGW-UHFFFAOYSA-N 448.438 4.569 5 40 IJBB O=C1OC(c2cccs2)=N/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2197941 NKVVNTDBSHFSSY-GDNBJRDFSA-N 437.389 4.701 5 40 IJBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2CC(C)C 2246572 HIMXVIDLJJLROH-UHFFFAOYSA-N 431.927 4.961 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2405626 ABTJXNPWVXBOIZ-OAHLLOKOSA-N 427.508 4.631 5 40 IJBB Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58582584 BMLSCLQPGSKFEC-UHFFFAOYSA-N 438.793 4.942 5 40 IJBB COCCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409093585 AXXWCJMUMRAKLJ-UHFFFAOYSA-N 438.431 4.594 5 40 IJBB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9397187 SBXUCIUHBBPSOI-ZJSXRUAMSA-N 431.448 4.854 5 40 IJBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 20611271 SZSCZLHQLLJYDL-UHFFFAOYSA-N 437.843 4.551 5 40 IJBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 18532356 ZMJDZDMIRIVWEQ-SECBINFHSA-N 439.280 4.826 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 13778481 NQOBZJDWGPBNKC-IBGZPJMESA-N 436.807 4.693 5 40 IJBB CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 28284644 YZBNRMPSVMFZHS-UHFFFAOYSA-N 428.539 4.782 5 40 IJBB Cc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 32615930 DNOAXQYZAQXNGK-UHFFFAOYSA-N 437.456 4.912 5 40 IJBB COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 408606146 OUZXPPXMNJVIRZ-WEVVVXLNSA-N 443.843 4.741 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1C 408642696 PMIZSWGGBKOSQP-GOSISDBHSA-N 445.475 4.996 5 40 IJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl 409180764 ZZZWPDMAHUBBNR-HXUWFJFHSA-N 440.795 4.937 5 40 IJBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](CC)C2 2739234 NJWLSFPWOSIAFY-BCNIOPEESA-N 428.510 5.000 5 40 IJBB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc([N+](=O)[O-])o4)cc3)sc2c1 3238573 OKUDLRWYVQPPKQ-UHFFFAOYSA-N 437.433 4.568 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 9281711 IZMSJMCKUOEWOU-AWEZNQCLSA-N 443.507 4.580 5 40 IJBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)cc1Cl 59200746 XCFPRJZXFLKMJK-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB CCOc1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 9403643 VIZZAFABFNWJBV-UHFFFAOYSA-N 435.811 4.792 5 40 IJBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 10059773 KEBZSSMKBBSQKI-VXKWHMMOSA-N 425.448 4.568 5 40 IJBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2s1 21632647 XGVGKVIUHSWKDY-UHFFFAOYSA-N 441.490 4.681 5 40 IJBB CC[N+](CC)(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 226071494 LTFZUMFYCFMQQF-OAQYLSRUSA-N 445.580 4.697 5 40 IJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 408562541 AGQBOYPFCCVYQL-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408569094 ITVJMEAUSZLRCA-IBGZPJMESA-N 448.932 4.747 5 40 IJBB CCCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409342580 GQQKIGUQNYFOMD-MTJSOVHGSA-N 449.488 4.879 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1C 408638223 BUUSILVUTSKMCE-GOSISDBHSA-N 445.475 4.996 5 40 IJBB COc1ccc(C(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 524732206 JFNVCPFUZVZLLQ-UHFFFAOYSA-N 434.451 4.862 5 40 IJBB biogenic O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 1794511 JXWDUIFWLNAFMG-UHFFFAOYSA-N 435.767 4.906 5 40 IJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1C(F)(F)F 2483548 IRARFZJLATXPSC-UHFFFAOYSA-N 434.399 4.798 5 40 IJBB O=[N+]([O-])c1cc2c(c(CSc3nn(-c4ccc(F)cc4)c(=S)s3)c1)OCOC2 3429368 XNYFGXNZTKMIFY-UHFFFAOYSA-N 437.499 4.869 5 40 IJBB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2CC(C)C)c1 9328516 DGCMLUMYAVHXPF-UHFFFAOYSA-N 425.514 4.549 5 40 IJBB Cn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 9631774 SUGDCKXSKBLBTN-UHFFFAOYSA-N 443.504 4.558 5 40 IJBB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc12 9829763 RABLZMVGQQGNTC-UHFFFAOYSA-N 434.477 4.764 5 40 IJBB Nc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3cc(Cl)ccc3[nH]2)cc1 8652843 LJKRWQUQDCHKMO-JAIQZWGSSA-N 433.855 4.635 5 40 IJBB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9580501 ATUBVXAKTZGYHJ-UHFFFAOYSA-N 440.418 4.702 5 40 IJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 34702026 OQSAEHUBRIYRSZ-UHFFFAOYSA-N 425.466 4.607 5 40 IJBB CSCC[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 49649893 NJMOKDFLRCGBJP-GOSISDBHSA-N 436.493 4.955 5 40 IJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccccc2C)cc1 2253309 SEBSEAZKBDQVCZ-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccc(Cl)cc1Cl 9491238 XZFZEOUKRGDMIQ-UHFFFAOYSA-N 447.116 4.735 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 15438672 JDOLZUIVBNTYBA-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1nn(Cc2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)c(C)c1Cl 17098656 FCGJAPAJJZHUJX-UHFFFAOYSA-N 433.875 4.648 5 40 IJBB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9427953 IZMZJAAXFFSPKO-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 9630595 BZFKPUNNRWTPMT-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c2ccccc12 12767162 SNNWSVHIBFNTRM-UHFFFAOYSA-N 447.491 4.556 5 40 IJBB COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)c([N+](=O)[O-])cc1OC 33039512 HNVKRQAYYBSGIC-UDWIEESQSA-N 444.443 4.648 5 40 IJBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 101344042 KVSWOAWQWXBYAF-UHFFFAOYSA-N 446.440 4.818 5 40 IJBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409195493 PZHKSNBZANSVSG-UHFFFAOYSA-N 434.492 4.858 5 40 IJBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1[N+](=O)[O-] 2618164 LDBLWEOCBKZPKD-UHFFFAOYSA-N 447.472 4.975 5 40 IJBB COc1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792205 IXNNKYWQLPMCPG-UHFFFAOYSA-N 449.466 4.618 5 40 IJBB biogenic Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)cc1C 9316538 HTGIZJDDTPUEMW-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060321 HMCNJUZWIOTTIO-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl 17098249 BGVBXVDVWWXWKR-UHFFFAOYSA-N 432.933 4.674 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 33931003 LUYGWVDBSGOOKN-YHAOYDPOSA-N 427.526 4.558 5 40 IJBB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9030616 JZOJHGAFBJAQCP-UHFFFAOYSA-N 448.884 4.615 5 40 IJBB O=C(Nc1ccccn1)[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 40149361 YDBZPCJINTUVJW-LLVKDONJSA-N 428.798 4.517 5 40 IJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409337403 YEZGYKRLKLPHSI-DAXSKMNVSA-N 434.235 4.852 5 40 IJBB Cc1cccc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 19927255 ONBZOOTYJPWGDA-UHFFFAOYSA-N 434.271 4.691 5 40 IJBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)cc1C 32109512 NFYMMPRRXICENK-WQRHYEAKSA-N 430.507 4.999 5 40 IJBB O=C(CCC(=O)c1ccccc1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856540 HNFZUWXHBBGRNK-UHFFFAOYSA-N 433.416 4.776 5 40 IJBB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 20610549 WAAFGDZVSKCLJF-UHFFFAOYSA-N 431.452 4.713 5 40 IJBB Cc1c(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] 224890338 ZKWVPQSVQSNQQF-UHFFFAOYSA-N 430.258 4.892 5 40 IJBB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc([N+](=O)[O-])cc4)c3n2)cc1 8454746 RDGZCQLKHWMPKZ-UHFFFAOYSA-N 439.378 4.503 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nc(C)c(C)s1)C3=O 8827405 YCJSYXBBVIAZDS-LJQANCHMSA-N 447.472 4.833 5 40 IJBB CCCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 8878632 YKROYRDIUNZPIP-UHFFFAOYSA-N 443.503 4.529 5 40 IJBB biogenic CC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12512280 NSQOSCWOQXNJGN-UHFFFAOYSA-N 435.402 4.671 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2c(F)cccc2F)c1)c1c(F)cccc1F 16384108 CUPOGEXSRGIRFQ-UHFFFAOYSA-N 433.317 4.656 5 40 IJBB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 19630635 NEMLOLSIMAHGIF-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 89840313 IBEXJNNUHMVELR-UHFFFAOYSA-N 440.839 4.623 5 40 IJBB CCCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408632145 NURPYRUNVRSBQE-DHDCSXOGSA-N 434.861 4.797 5 40 IJBB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 2736993 OVTBPFLVDWQIGE-OIOXUXFSSA-N 428.510 4.998 5 40 IJBB CCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408758037 UPYGJRVIKBRYIL-UHFFFAOYSA-N 440.253 4.870 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 12342280 GSJIAMXFXGTJSF-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2[N+](=O)[O-])n1 65514258 NOUGXQAQBSQJBW-MRXNPFEDSA-N 426.523 4.883 5 40 IJBB O=[N+]([O-])c1ccc(Cc2nnn(-c3ccc([N+](=O)[O-])cc3)c2-c2ccc(Cl)cc2)cc1 96306200 AHDBYJUBLUBWBT-UHFFFAOYSA-N 435.827 4.995 5 40 IJBB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 226337418 LNXSUWRFAIREJN-RMKNXTFCSA-N 436.258 4.521 5 40 IJBB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2(C)C1 70691822 DRDMQVSMQHFVGE-AKBIWCHUSA-N 430.697 4.708 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc12 10010667 MQWIKUDYTHMHFN-UHFFFAOYSA-N 428.253 4.537 5 40 IJBB CN(Cc1cccc(F)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12553865 UREKMALWFKMRGL-UHFFFAOYSA-N 439.409 4.628 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(-c2ccc(F)c(Cl)c2)o1 12651658 HHLZEPMOFUCKAK-UHFFFAOYSA-N 445.834 4.736 5 40 IJBB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] 17101726 SOSDIJWICASRBD-UHFFFAOYSA-N 437.843 4.633 5 40 IJBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1ccc2c(c1)OCO2 2634898 BPGITUIHHNGFQT-UHFFFAOYSA-N 442.855 4.705 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c(OC(F)F)c1 2796532 YFGQYTKQLMMNNN-UHFFFAOYSA-N 430.411 4.619 5 40 IJBB Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc(-c2nc3ccccc3o2)c1O 14270226 ZPEZVIUIWWWDAZ-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2[N+](=O)[O-])CC1 57315807 FRVGKXKIKTYLLV-UHFFFAOYSA-N 441.469 4.601 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409350526 RZQJWEYECKFFNH-WTANOLMUSA-N 427.423 4.510 5 40 IJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 6077236 KLZQMMNRSGCZAZ-LJQANCHMSA-N 446.257 4.795 5 40 IJBB CCn1c2ccccc2c(=O)c2c1nc(-c1cccc([N+](=O)[O-])c1)n1c3ccccc3nc21 9009753 SSJLMDLIIRMBAL-UHFFFAOYSA-N 435.443 4.946 5 40 IJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223317721 QCJBNWZMOMMQIH-IBGZPJMESA-N 445.947 4.513 5 40 IJBB O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2c(Br)ccc(Cl)c2C1 1138048525 GHOUHHPTHODXIG-UHFFFAOYSA-N 434.677 4.691 5 40 IJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2)cc1 8721572 YXOZNRQHNPKVCO-UHFFFAOYSA-N 425.824 4.867 5 40 IJBB C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl 9140972 DECKZFMHAHRGSL-VIFPVBQESA-N 447.658 4.504 5 40 IJBB CCOc1ccc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 9562458 TZNVBRPDUHCFCS-UHFFFAOYSA-N 440.403 4.619 5 40 IJBB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 9850094 SJTJRZVWLJZWKL-UHFFFAOYSA-N 432.505 4.925 5 40 IJBB Cc1ccccc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12556070 BZQPAQBKSUBCFX-UHFFFAOYSA-N 435.446 4.797 5 40 IJBB CC(C)c1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 13112469 XFNHBZVPIZPPLG-CYBMUJFWSA-N 437.485 4.597 5 40 IJBB O=[N+]([O-])c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25435994 OQRYKPYLXGJCAG-UHFFFAOYSA-N 448.504 4.891 5 40 IJBB CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229374 XJEMEAXNSAXRRS-UHFFFAOYSA-N 443.718 4.559 5 40 IJBB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222897216 MKXCPEITEIBVJI-RTWAWAEBSA-N 438.509 4.641 5 40 IJBB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 851202 WTRIGMHYPAABSD-JTQLQIEISA-N 449.286 4.527 5 40 IJBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)oc2c1 14270155 LIJGNDPKIDBHBM-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17097194 PSIUFLVXBDEZIF-UHFFFAOYSA-N 430.675 4.644 5 40 IJBB C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 217540774 BKGQDHJNBGUGPK-QXSWSUPYSA-N 429.395 4.654 5 40 IJBB CCCOc1c(I)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC 408558979 TXUCVODMMBRDNR-UHFFFAOYSA-N 442.253 4.609 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 9545843 DARZYTZKKUIPFG-UHFFFAOYSA-N 444.538 4.526 5 40 IJBB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 9708233 LHGFHMLZHUDEGK-LJQANCHMSA-N 427.913 4.844 5 40 IJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 13552442 INGNBOWBXDLSJJ-LIKPIUCQSA-N 430.847 4.645 5 40 IJBB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C 20196946 SXSRPIZFBJGKAY-UHFFFAOYSA-N 432.889 4.570 5 40 IJBB COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 89909836 OQYATFJIKPLPND-OAHLLOKOSA-N 427.482 4.577 5 40 IJBB O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc2oc3ccccc3c(=O)c2c1 96002178 BKOBFBSZHQSICZ-UHFFFAOYSA-N 442.471 4.629 5 40 IJBB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 223651370 CAJKMOMTMHIWCY-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225616878 KWZIYTVFGMPJIE-OXQOHEQNSA-N 445.947 4.513 5 40 IJBB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408640009 HVWAQBASGNEGSK-QGZVFWFLSA-N 431.448 4.687 5 40 IJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)ccc1[N+](=O)[O-] 408563363 LZQWZXZFOPIVBK-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC 408567132 GOPWVSSXUKNUAU-OAQYLSRUSA-N 442.541 4.792 5 40 IJBB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408674078 XJOPCOFZXWHPQT-UHFFFAOYSA-N 443.459 4.773 5 40 IJBB CCOC(=O)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2225266 MKPJIALMKSFBKV-UHFFFAOYSA-N 439.431 4.721 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccccc3Cl)nc21 2323922 MWBHXEMZWNYPPJ-UHFFFAOYSA-N 431.854 4.697 5 40 IJBB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 11277429 LFQHSOFXZNUSRU-IBGZPJMESA-N 427.500 4.895 5 40 IJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797273 YKDRBTWZZOLKFR-QFIPXVFZSA-N 425.448 4.872 5 40 IJBB CCOP(=O)(OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 16752202 XKGBWUUWZCWAKC-UHFFFAOYSA-N 431.385 4.753 5 40 IJBB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6924935 SEVFJMYFKIJJJA-JOCHJYFZSA-N 446.419 4.503 5 40 IJBB CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OCC)c1 1157685 NHPZZTSFQFJPEO-ODLFYWEKSA-N 428.466 4.629 5 40 IJBB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 12657890 MVEWHXYCURKFJY-QGZVFWFLSA-N 447.491 4.953 5 40 IJBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 1080667 DITAWUPVWLYWLX-QFIPXVFZSA-N 425.448 4.872 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 2462580 PCAIBVHXWRZHFH-YPMLDQLKSA-N 429.498 4.965 5 40 IJBB COc1ccccc1Nc1nc(Nc2ccc(Br)cc2)nc(C)c1[N+](=O)[O-] 6177593 RWEGAAWJHDOGGY-UHFFFAOYSA-N 430.262 4.952 5 40 IJBB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9201770 CTQAYMHFKXZUHE-GFCCVEGCSA-N 432.889 4.562 5 40 IJBB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 8902734 FISSUAOJEBKBKM-UHFFFAOYSA-N 442.840 4.956 5 40 IJBB Cc1c(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)ccc2ccccc12 9327571 BWWYDPJJIVQSDH-UHFFFAOYSA-N 448.504 4.739 5 40 IJBB Cc1nc2ccccc2c2c(NC(=O)c3cccc(S(C)(=O)=O)c3)c3ccccc3n12 12608161 KZXGHQFMOUKRQC-UHFFFAOYSA-N 429.501 4.605 5 40 IJBB CCOc1cc(=O)cc2n(-c3cc(OCC)c(OC)c(OCC)c3)c3ccccc3nc1-2 5389823 OEXKWLCNVSZJHX-UHFFFAOYSA-N 434.492 4.695 5 40 IJBB Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1C 9313301 WPGTXLWFEWFROL-UHFFFAOYSA-N 432.528 4.787 5 40 IJBB O=[N+]([O-])c1ncccc1OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 9633947 JFKVPSYDILGSKI-FQEVSTJZSA-N 443.253 4.939 5 40 IJBB N=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=N)O)c1c25)c43 71622017 PONZBUKBFVIXOD-UHFFFAOYSA-N 426.384 4.900 5 40 IJBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nc2ccccc2n1C(F)F 14901636 NYEBPUXWIDISOK-UHFFFAOYSA-N 444.316 4.514 5 40 IJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 2284953 LCRCWNWIQLXRMO-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1C[C@@H]1CCCO1 2620399 QGVQIDPLUGPHON-HNNXBMFYSA-N 431.539 4.777 5 40 IJBB COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc12 9829704 TWWNOJIOPPOMPJ-XFXZXTDPSA-N 446.488 4.855 5 40 IJBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccnc1Cl 9439980 SLNKLFQJQLLGSJ-KRWDZBQOSA-N 446.246 4.833 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409178940 KVQQECFGMLWNLS-DEOSSOPVSA-N 447.516 4.664 5 40 IJBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 10059768 HEEGZWWWJXZAJE-FGZHOGPDSA-N 425.448 4.568 5 40 IJBB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10059801 NJKYZRSTXAXTIQ-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 14409780 UYYKKYVWYPFPFW-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB CCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 34807434 PHFBIHQJZCMOOR-UHFFFAOYSA-N 435.432 4.612 5 40 IJBB O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 84421663 DLPMUOQVPUDHHR-UHFFFAOYSA-N 432.908 4.833 5 40 IJBB CCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409180695 UJCDGRAMQAJRGP-HSZRJFAPSA-N 432.432 4.724 5 40 IJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1Br 2483534 JBLKLDOQTGSPBJ-UHFFFAOYSA-N 445.298 4.542 5 40 IJBB CCC(=O)Oc1cn(CCc2ccc(OC)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871209 HSGZSPUIMPYKDW-UHFFFAOYSA-N 442.519 4.966 5 40 IJBB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9963178 KMFQPRLPDNSGKP-UHFFFAOYSA-N 432.860 4.807 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)/C(Br)=C/c1ccccc1 27563005 DBJNUWLTGHEOGT-JYRVWZFOSA-N 426.064 4.732 5 40 IJBB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 409328365 SYDWHEVBIHMIFI-UHFFFAOYSA-N 448.888 4.503 5 40 IJBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 26124540 NFWOIEONPGSOAQ-BJMVGYQFSA-N 433.855 4.942 5 40 IJBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(C)C3=O)ccc1Br 408755268 CQGWZQLRNDKATA-UHFFFAOYSA-N 425.238 4.712 5 40 IJBB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12177681 FEGLKJUCWOUFPQ-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB CC1=C(C(=O)OC(C)(C)C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)(C)C)=C(C)N1 31852336 PDRVVFSIZJAOGA-UHFFFAOYSA-N 430.501 4.513 5 40 IJBB NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 2763035 MMWAMTPYZRTSGW-UHFFFAOYSA-N 436.276 4.981 5 40 IJBB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cs1 30508349 OCTIFDRWRNVSHH-UHFFFAOYSA-N 429.885 4.648 5 40 IJBB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc([N+](=O)[O-])c1O 35415597 OCNKLNATCZKFGP-HXPMCKFVSA-N 445.541 4.766 5 40 IJBB CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)CC(C)C 1324472 RIMIDBJSBWSLIR-UHFFFAOYSA-N 429.473 4.629 5 40 IJBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)[n+]2CCO)cc1 1792010 FCUPMWYCBPFBLE-UHFFFAOYSA-N 442.451 4.784 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2400343 VMKSIUZRPXAHFN-UHFFFAOYSA-N 447.926 4.672 5 40 IJBB O=[N+]([O-])c1ccc(N2N=N[C@H](c3ccccc3)[C@@]2(c2ccccc2)N2CCOCC2)cc1 4972181 ONWMVGCMRGVUNF-RPWUZVMVSA-N 429.480 4.709 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(C)c2)s1 10022452 VODUTWUZZOMWAT-GFCCVEGCSA-N 445.526 4.626 5 40 IJBB CCc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)sc2c1 13146035 MMZMLKUEZVGMOL-UHFFFAOYSA-N 435.509 4.881 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409350534 RZQJWEYECKFFNH-ZXYWRSMDSA-N 427.423 4.510 5 40 IJBB COc1ccc(Cn2c(-c3ccc(F)cc3)nc3sc4ccccc4c(=O)c3c2=O)cc1 2363406 HWISBLMADYHFSW-UHFFFAOYSA-N 444.487 4.834 5 40 IJBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408842241 JLCAJHOWCJQJPZ-YLGLTRLVSA-N 440.411 4.824 5 40 IJBB COc1cc2nc3ccc(NC(=S)N4CC[C@@H](c5ccccc5)C4)cc3nc2cc1OC 409002579 VFTMEJRSAXIHPV-QGZVFWFLSA-N 444.560 4.987 5 40 IJBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Cl)c1Cl 409166692 FUUTWLZOZWDZDH-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@@H]3c1ccc([N+](=O)[O-])cc1 1432721 WKTKUARNPJWNDX-XMMPIXPASA-N 427.460 4.873 5 40 IJBB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 9716376 CSMXUVXJXURLSM-UHFFFAOYSA-N 435.918 4.883 5 40 IJBB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 9829708 AUGCUUUXORTCJC-UHFFFAOYSA-N 434.477 4.845 5 40 IJBB O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCc2ccc([N+](=O)[O-])cc21 84507234 VXHSFRYNDBWKOA-UHFFFAOYSA-N 440.253 4.748 5 40 IJBB COc1ccc(Cl)cc1-c1nc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 408674548 AFYIXYDPJYPUAC-UHFFFAOYSA-N 439.280 4.670 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 1001105 GYCOEWBCAZVTOA-XMMPIXPASA-N 441.443 4.593 5 40 IJBB biogenic CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 8434913 WNRIJSHPGVGTFQ-UHFFFAOYSA-N 443.264 4.960 5 40 IJBB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9128721 MWWHFURRFKMQSL-CQSZACIVSA-N 447.871 4.514 5 40 IJBB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284604 JGYBKOUMTVCXMZ-GFCCVEGCSA-N 449.385 4.598 5 40 IJBB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 48309853 YZBVUTJTKSPBKW-UHFFFAOYSA-N 425.382 4.632 5 40 IJBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2cccc(OC)c2)cc1 9660187 XLOKVNLMUBQSPW-LCUIJRPUSA-N 445.431 4.843 5 40 IJBB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 19630643 KWFAUITXRSBFBK-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 33399907 YOZUPNZBCWDKDV-ZDUSSCGKSA-N 445.932 4.643 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1[N+](=O)[O-] 48361629 SVLFZVOMLGJXAZ-UHFFFAOYSA-N 434.427 4.852 5 40 IJBB O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)c2cc(F)ccc2N1 2685936 GYHKDWNGJPPWID-NRFANRHFSA-N 439.830 4.571 5 40 IJBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 3308009 YMQLRWMKVVKSSW-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 9763522 VTGLZGQPRULKQV-WEVVVXLNSA-N 441.827 4.754 5 40 IJBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 34931170 CRQVSRHHQLMWCV-UHFFFAOYSA-N 434.905 4.504 5 40 IJBB COc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1O 408838575 GGRCLDOOGZIPAK-WUXMJOGZSA-N 430.825 4.522 5 40 IJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 409180141 PQCMRTSZHSLTGZ-FQEVSTJZSA-N 440.795 4.937 5 40 IJBB Cc1nc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 10035118 HYCXZZCCPQLPBS-YRNVUSSQSA-N 428.242 4.973 5 40 IJBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142750 VMODZRHXVLAPSX-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3C)s2)c([N+](=O)[O-])cc1C 9511992 CFISLMHLOJVZOO-UHFFFAOYSA-N 429.527 4.846 5 40 IJBB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1Cl 9569228 CHEXISYQDZKEBN-UHFFFAOYSA-N 425.828 4.687 5 40 IJBB COc1cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120212 ROBQRNNDHVBNHN-UHFFFAOYSA-N 449.419 4.681 5 40 IJBB CCOc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 12137688 UFVYRCFKUJJAMS-MRXNPFEDSA-N 449.463 4.652 5 40 IJBB COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1 12371466 RNAGNOOQHCAKTL-DEOSSOPVSA-N 427.460 4.873 5 40 IJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 19927629 SCDORVMEKVEBDE-UHFFFAOYSA-N 425.514 4.529 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408670361 IOYNXWPKRHVXKE-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB C[C@@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@@H]3[C@@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12 606303121 JNMZYVOWRZCJKC-NUOUYPCZSA-N 446.503 4.531 5 40 IJBB O=C(Nc1ccc(Br)cc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12515577 BWQFQUSVTBJZPR-UHFFFAOYSA-N 438.709 4.866 5 40 IJBB Cn1c(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc2ccccc21 12628949 OVEQJWTVHIXKQO-FQEVSTJZSA-N 434.883 4.849 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C 15529244 LTOZSWCYOKENFU-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34721427 CGFIXLKUPJOGJO-UHFFFAOYSA-N 436.493 4.582 5 40 IJBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4cccs4)cnc32)cc1 8836068 QRTJUNRVWGHGPO-UHFFFAOYSA-N 437.528 4.761 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O 9328336 CVOMRZIFLGJURD-SFHVURJKSA-N 433.445 4.524 5 40 IJBB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13961371 KQGQDRPWCFUOOW-UHFFFAOYSA-N 445.262 4.564 5 40 IJBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] 15438806 NNWFBRQODDEOAP-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 2474216 NZBCBCZBEWMAPD-LIKPIUCQSA-N 430.847 4.645 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OCc2ccccc2)c1 9142364 CKYUJYWFPDJXKX-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 17160360 FVXCHGHQSPJAOP-UHFFFAOYSA-N 443.459 4.682 5 40 IJBB Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 20106396 GLAHESLEJIWZSG-JJIBRWJFSA-N 438.487 4.946 5 40 IJBB O=C(Nc1cccc2ccccc12)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409181884 GLWYTEGAUZQMLU-UHFFFAOYSA-N 432.457 4.833 5 40 IJBB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 4090888 FXNYDTAQYAMWSJ-UHFFFAOYSA-N 448.504 4.591 5 40 IJBB COc1c(F)c(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1F 9934660 HFPAOYCKJRLUQR-UHFFFAOYSA-N 427.335 4.536 5 40 IJBB COc1cc(OC)cc([C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 12551361 CCRRNVLSCRYERH-GOSISDBHSA-N 436.390 4.566 5 40 IJBB Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cccc1[N+](=O)[O-] 14270648 YGMYPAVQTNKSLR-UHFFFAOYSA-N 446.488 4.516 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 21005547 ARIAXHBCZMRCHI-HSZRJFAPSA-N 440.459 4.934 5 40 IJBB COc1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1 9390355 ZQZXWPUNKGEMSL-UHFFFAOYSA-N 431.242 4.537 5 40 IJBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 15277410 MKTDLNBUDDLVRX-UHFFFAOYSA-N 427.416 4.606 5 40 IJBB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc([N+](=O)[O-])c1O 35415595 OCNKLNATCZKFGP-BUXKBTBVSA-N 445.541 4.766 5 40 IJBB Cc1cccc(C)c1NC(=O)CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 59497617 IPWTZJWXPXASDI-UHFFFAOYSA-N 429.376 4.869 5 40 IJBB COc1ccc([C@H](O)[C@@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 95976046 XETXBBKUSSLHJN-IQMFZBJNSA-N 426.444 4.747 5 40 IJBB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409356999 HWZXLSZFSOLJAJ-SXGWCWSVSA-N 436.367 4.533 5 40 IJBB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3043219 BSEAYEZZGFJQMH-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCCC3 8441355 GPUWSWZQYBWMSQ-LBPRGKRZSA-N 428.539 4.906 5 40 IJBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1nc2ccccc2c2ccccc12 9253971 LUQSQKDMIFBHIZ-MDZDMXLPSA-N 428.400 4.782 5 40 IJBB COc1ccc(C(=O)Nc2ccccc2OC(F)(F)[C@@H](F)C(F)(F)F)cc1[N+](=O)[O-] 40105162 INSLNYBUFUKYBW-HNNXBMFYSA-N 438.280 4.728 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408918219 HSCDYRXYILKYCV-YCIYHOANSA-N 444.874 4.650 5 40 IJBB O=[N+]([O-])c1ccc([C@@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 409194902 FHAJJTNHVJDZEJ-QFIPXVFZSA-N 443.488 4.865 5 40 IJBB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 851203 WTRIGMHYPAABSD-SNVBAGLBSA-N 449.286 4.527 5 40 IJBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccccc1 2318047 HBFLDUZRWYMGBB-UHFFFAOYSA-N 431.499 4.699 5 40 IJBB Cc1ccc(-n2c(SCC(=O)c3cc([N+](=O)[O-])c[nH]3)nnc2-c2ccccc2)cc1C 3438212 UVHWMDJGMGYPGI-UHFFFAOYSA-N 433.493 4.762 5 40 IJBB Cc1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c([N+](=O)[O-])cc1C 12540348 GFKJXRQZMUFLBY-UHFFFAOYSA-N 434.448 4.586 5 40 IJBB COc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1Br 14605062 GJHITGMGFHWGTQ-UHFFFAOYSA-N 434.271 4.742 5 40 IJBB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Cc1cc([N+](=O)[O-])ccc1Cl 95469906 RQIMOQXJYXMBBY-UHFFFAOYSA-N 440.912 4.845 5 40 IJBB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 107960110 GDLOQYPYYOLPCK-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB C=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 408738373 WBCNSTNWGPQRRT-UHFFFAOYSA-N 442.165 4.552 5 40 IJBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC 409249067 RZEXJIHQMHDHTP-CAOOACKPSA-N 434.857 4.502 5 40 IJBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)cc([N+](=O)[O-])c1 6143786 WOQKPSGNZRNFMS-UHFFFAOYSA-N 430.355 4.591 5 40 IJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 9111601 GYXVHJIRCCRLEK-LBPRGKRZSA-N 448.870 4.816 5 40 IJBB COC(=O)c1c(COc2ccc(C)nc2[N+](=O)[O-])nc2ccccc2c1-c1ccccc1 9244482 MKLCJVBNQGNDBG-UHFFFAOYSA-N 429.432 4.879 5 40 IJBB COc1ccc(-c2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1OC 9281155 LLAHVFYEABNTBS-UHFFFAOYSA-N 433.416 4.964 5 40 IJBB biogenic CSc1ccc(C(=O)c2ccccc2C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] 26709041 WNQCINMPHMPERX-UHFFFAOYSA-N 438.530 4.808 5 40 IJBB COc1cc(-c2ccc(-c3nc(O)c4c(C)c(C)sc4n3)o2)cc([N+](=O)[O-])c1OC 408983834 DJVFLGSFDRUEOA-UHFFFAOYSA-N 427.438 4.866 5 40 IJBB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9646138 QLPRTRLHWONFLB-JTQLQIEISA-N 433.490 4.508 5 40 IJBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 57333657 GEQUVQMDHRDIJP-UHFFFAOYSA-N 440.415 4.988 5 40 IJBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)cc1 409000653 URLPMZDLGNVNRN-UHFFFAOYSA-N 438.395 4.914 5 40 IJBB Cc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])cc1Br 8818232 NJTNAVMRFPFUFO-UHFFFAOYSA-N 432.278 4.936 5 40 IJBB O=[N+]([O-])c1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1 25539283 NCMLGVHBBBJLLB-UHFFFAOYSA-N 448.504 4.891 5 40 IJBB COc1ccc([C@@H](O)[C@@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 95976044 XETXBBKUSSLHJN-CMJOXMDJSA-N 426.444 4.747 5 40 IJBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 408604812 FHJBMECHLQJKSU-UHFFFAOYSA-N 435.480 4.932 5 40 IJBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9829784 CUYRBNKNHUNVTN-UHFFFAOYSA-N 432.433 4.786 5 40 IJBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCc2ccccc2)cc1 13130534 JLEMUMTYAOUNHH-UHFFFAOYSA-N 431.404 4.581 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)cc1 40398810 HIHMHMFKFHGGBU-OSPHWJPCSA-N 429.520 4.520 5 40 IJBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2C)no1 44086877 AEHJJYNYXJIDGE-UHFFFAOYSA-N 449.492 4.783 5 40 IJBB COc1c(Br)cc(Br)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 226237542 KCGSSNDEJJUNKT-UHFFFAOYSA-N 428.036 4.937 5 40 IJBB O=C1S/C(=C\c2ccc(Br)s2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 980045 CXDSBYGYJPXZAQ-GHXNOFRVSA-N 425.285 4.655 5 40 IJBB CC[C@H](C(=O)Nc1cc(Sc2ccc(C)cc2)cc([N+](=O)[O-])c1)n1cc([N+](=O)[O-])cn1 2805252 QKERFVMHUQRPLT-LJQANCHMSA-N 441.469 4.749 5 40 IJBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 3275201 LBJQNTGCIWUCAH-UHFFFAOYSA-N 433.445 4.667 5 40 IJBB CC1(C)Cc2cccc(OCC(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2O1 3298385 CHGCVEUKNHQHKM-UHFFFAOYSA-N 430.456 4.782 5 40 IJBB NC(=O)c1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCCC2 13946131 ZPFIHXSTVVHUIU-UHFFFAOYSA-N 425.466 4.536 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 39757152 BKLGFAZOVCUSDY-UHFFFAOYSA-N 426.275 4.891 5 40 IJBB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 9708229 PLWSDSQPBPRFEZ-LJQANCHMSA-N 427.913 4.844 5 40 IJBB COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 17194842 NYVVPIBMVSKEOF-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB O=C(Oc1ccc2ccccc2c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409181330 BBEGFMJWQBKYHG-UHFFFAOYSA-N 433.441 4.800 5 40 IJBB Cc1ccc(C)c(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)c1 9971019 QQALKZQDGPLZIM-UHFFFAOYSA-N 437.477 4.547 5 40 IJBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102043034 BZFQOEAFTLELHD-UHFFFAOYSA-N 440.393 4.815 5 40 IJBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2251824 JLZVFBUGEDLAHH-UHFFFAOYSA-N 431.927 4.961 5 40 IJBB CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792385 QIOBJSUZTMFSJC-MRXNPFEDSA-N 427.504 4.522 5 40 IJBB biogenic COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc2c1CCCCCC2 19645839 QKDLKTSMQNDDFO-UHFFFAOYSA-N 447.469 4.571 5 40 IJBB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 57315941 HOJMOUNOQMMUDF-ZRDIBKRKSA-N 437.477 4.546 5 40 IJBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 14831594 BZPHLBOWZNBVPB-JXMROGBWSA-N 446.916 4.513 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 14920225 SPBLXJMTSISPAG-UHFFFAOYSA-N 438.421 4.531 5 40 IJBB O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N12 2964405 CUEZYTFSQWHIHW-OAQYLSRUSA-N 442.500 4.729 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(Cl)c1 95470822 JXIBTPWJYVONSO-UHFFFAOYSA-N 431.629 4.965 5 40 IJBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408561504 IZMZOGCQDVRMCY-VZCXRCSSSA-N 446.326 4.957 5 40 IJBB COc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1 9829674 BEEQWLQGWOAMIX-WDZFZDKYSA-N 446.488 4.855 5 40 IJBB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 16035555 JKKQDPYVAXIDLK-UHFFFAOYSA-N 449.492 4.699 5 40 IJBB CSCC[C@H](NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 16695432 YOOINRZGXQIGCZ-KRWDZBQOSA-N 436.493 4.955 5 40 IJBB Cc1ccc(-c2csc(-n3c(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cnc3C)n2)cc1 32616165 ZTCBNCHDSTVXQQ-UHFFFAOYSA-N 433.493 4.702 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225024602 SKWUUEJJIFXNCQ-VXKWHMMOSA-N 433.537 4.696 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2cc(C)cc(C)c2)cc1 2363573 SINIILNHNQXZAB-UHFFFAOYSA-N 437.499 4.530 5 40 IJBB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 9281911 ANHJUHSFHOXLNV-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2124408 DPZOYXHCYAHWRO-HSZRJFAPSA-N 445.471 4.803 5 40 IJBB biogenic CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])cc1 6472304 VPLZIRUIGAAFLL-NRFANRHFSA-N 449.429 4.937 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 58058880 GLPHZFASZQUVTM-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 409163470 RXKLAJCPZUJNLA-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB O=C(OCc1ccccc1)N1CCc2cc3c(cc2[C@@H]1Cc1ccccc1[N+](=O)[O-])OCO3 1024128 BFEGKVIBCBIALS-QFIPXVFZSA-N 446.459 4.802 5 40 IJBB COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(-c4ccc(Cl)cc4)nc3oc2c1 2351363 LCZFLGDRPQZCDU-UHFFFAOYSA-N 430.847 4.821 5 40 IJBB CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1OCC 8829254 VGKIEZXDAPUADN-UHFFFAOYSA-N 429.473 4.773 5 40 IJBB O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 9210138 BITOGDWAJPYFHO-UHFFFAOYSA-N 431.400 4.718 5 40 IJBB biogenic Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442040 TXARNKYZECUXRC-UHFFFAOYSA-N 437.456 4.533 5 40 IJBB COc1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 12946174 GHWMPEIBYFHNNS-MRXNPFEDSA-N 433.464 4.689 5 40 IJBB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc([N+](=O)[O-])cc1 13134983 XSGBOXUMXLWBPJ-UHFFFAOYSA-N 444.900 4.729 5 40 IJBB Cc1csc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)n1 15140630 KPHFOBXMJFJANB-UHFFFAOYSA-N 445.522 4.604 5 40 IJBB Cc1nc(C)c(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3n2)s1 215696391 TWVCYXYEDNDLNC-UHFFFAOYSA-N 447.472 4.923 5 40 IJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225241853 GTECAMMSLLKSRX-LICLKQGHSA-N 446.847 4.625 5 40 IJBB CC1(C)Cc2c(sc3ncn4nc5c6cc(Br)ccc6nc-5nc4c23)CO1 12390207 YDDXDXDIEAEKHD-UHFFFAOYSA-N 440.326 4.606 5 40 IJBB Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 12696646 RURDSWDQJGUYQL-CQSZACIVSA-N 425.466 4.519 5 40 IJBB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13576605 ZYEMZDIVVZOFEQ-MRXNPFEDSA-N 441.480 4.559 5 40 IJBB COc1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(C)c2[N+](=O)[O-])cc1 16249513 DZUQKXKKUUWZHF-UHFFFAOYSA-N 430.262 4.952 5 40 IJBB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c2)cc1 33327491 AEROUHMGJBMXLL-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1ccc2c(c1)OCO2 35313213 QMVXLXYWQFGGJQ-UHFFFAOYSA-N 446.513 4.852 5 40 IJBB O=C(Nc1ccccn1)[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 40149362 YDBZPCJINTUVJW-NSHDSACASA-N 428.798 4.517 5 40 IJBB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8719424 PNNYERZLZJQQCD-GFCCVEGCSA-N 443.916 4.826 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 9642617 ROUQVTNZWFZXOS-LLVKDONJSA-N 428.539 4.764 5 40 IJBB CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 13896614 UMYBEUAQTUCCNA-UHFFFAOYSA-N 445.479 4.689 5 40 IJBB O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc([N+](=O)[O-])ccc1OC(F)F 95995415 IJAHGIVVZQVOBC-UHFFFAOYSA-N 426.335 4.652 5 40 IJBB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc([N+](=O)[O-])c1 409134546 SBCOTKTZJJEADL-UHFFFAOYSA-N 425.514 4.727 5 40 IJBB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 9246799 IFQNBHBBOAETHC-KGENOOAVSA-N 448.504 4.688 5 40 IJBB Cc1nn(Cc2c(C(=O)N(Cc3ccccc3)c3ccccc3)noc2C)c(C)c1[N+](=O)[O-] 13961348 HHABGWKEOPVFKH-UHFFFAOYSA-N 445.479 4.600 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229992 JVRMVNQUMJWQSZ-NRFANRHFSA-N 426.856 4.981 5 40 IJBB Cc1nc(COc2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)cs1 12807036 ZIUBQSUANXDDIZ-UHFFFAOYSA-N 431.901 4.864 5 40 IJBB CN(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 13131170 DQEJNSVDPCVBFS-GOSISDBHSA-N 427.551 4.840 5 40 IJBB CSCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)oc2ccccc12 13147816 MSDBKUWIBMHEKM-UHFFFAOYSA-N 425.422 4.611 5 40 IJBB Cc1oc(-c2ccccc2)cc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 30835609 TYHRXFJTOOGEKS-UHFFFAOYSA-N 425.872 4.779 5 40 IJBB COc1cc(C(=O)O[C@@H](C)c2nnc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 48354569 DTDBIKHTSOUVSO-JTQLQIEISA-N 433.804 4.659 5 40 IJBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408737680 UUCHUSRJQRXBLQ-MOSHPQCFSA-N 448.818 4.812 5 40 IJBB CCC(=O)Oc1cn(-c2cc(OC)cc(OC)c2)c2nc(CC)n3c4ccccc4nc3c12 9243364 JEANNKQQTWCTMC-UHFFFAOYSA-N 444.491 4.721 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33785455 VGADHGMVAFXXSA-UHFFFAOYSA-N 446.828 4.543 5 40 IJBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccccc1F 11614650 MZBDDBHNXPJXEN-JOCHJYFZSA-N 430.479 4.582 5 40 IJBB CCCCn1c(-c2ccccc2[N+](=O)[O-])nc2c(sc3nc(C)cc(COC)c32)c1=O 12411000 FEQXOIBJJUJRIN-UHFFFAOYSA-N 438.509 4.836 5 40 IJBB Cc1c(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(F)cc3)cs2)cccc1[N+](=O)[O-] 32615911 WQQCRBLTMJEGLS-UHFFFAOYSA-N 437.456 4.912 5 40 IJBB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215252222 YGQAUXZDYMHILY-OVCLIPMQSA-N 437.246 4.733 5 40 IJBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 409163020 KTGAIPWNMVUIMX-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1 409198681 JPKZASLFWWDSIR-XDOYNYLZSA-N 431.901 4.627 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 879599 LUYGWVDBSGOOKN-RNVIBTMRSA-N 427.526 4.558 5 40 IJBB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 1192966 BAAZSWCSQDSNSH-DEDYPNTBSA-N 430.416 4.527 5 40 IJBB O=[N+]([O-])c1cc(OC(F)F)ccc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 3264823 DEWKKXMMZVHFKW-UHFFFAOYSA-N 434.420 4.588 5 40 IJBB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474687 WMUPODQGZHHXTB-UHFFFAOYSA-N 437.525 4.954 5 40 IJBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCCC1)cc1oc3ccccc3[nH]c12 9465567 KBXPYYLFUULYRX-UHFFFAOYSA-N 439.515 4.839 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19631575 IOFSJKWMCDAMCI-QHCPKHFHSA-N 440.459 4.934 5 40 IJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225589060 CXSBHRRNSZVOHU-UZLBHIALSA-N 445.947 4.513 5 40 IJBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409358095 KHOKGLSJPYJVMV-FAPYRAKZSA-N 440.477 4.691 5 40 IJBB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Cl)c([N+](=O)[O-])c1 8435616 NRQODJQBNGJWKC-UHFFFAOYSA-N 434.930 4.863 5 40 IJBB CN(C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2s1 12342187 VBVFLIHNZMIREI-UHFFFAOYSA-N 426.523 4.628 5 40 IJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C(F)F)cc3C3CC3)nc12 13961136 ZJHZUGDGVWGBOP-UHFFFAOYSA-N 425.468 4.564 5 40 IJBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17095008 QIEQKTGRDKAVLC-HNNXBMFYSA-N 426.542 4.835 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1O 106727647 QZFCHPMEYLOLAZ-SXGWCWSVSA-N 434.857 4.589 5 40 IJBB Cc1c(C(=O)NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)nc(Cl)c1[N+](=O)[O-] 970392 XBXNNRHBDUJIDV-UHFFFAOYSA-N 438.054 4.874 5 40 IJBB Cc1ccc(C2=N/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C(=O)O2)cc1 2054680 HROUAHGLIBSAGP-XDHOZWIPSA-N 445.387 4.948 5 40 IJBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 14797825 JIDIKJSWBBVEBF-UHFFFAOYSA-N 443.765 4.594 5 40 IJBB Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 24522253 FVFNWZXGKQGANT-UHFFFAOYSA-N 431.853 4.609 5 40 IJBB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)sc2n1 408620174 KTMNNFWKBSGUIX-UHFFFAOYSA-N 443.554 4.872 5 40 IJBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CC[C@H](c2ccccc2)C1 408987702 BQKYFBVULBWZJK-KRWDZBQOSA-N 442.544 4.741 5 40 IJBB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2364450 CTYIEVFTFSHHRC-UHFFFAOYSA-N 440.459 4.677 5 40 IJBB COc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 2636386 XNJYNFOLUACWFG-HSZRJFAPSA-N 430.416 4.866 5 40 IJBB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)n1CCc1ccccc1 3347790 RNCUJILBKASELI-UHFFFAOYSA-N 440.883 4.949 5 40 IJBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(I)c1O 9666684 ZPIACYRGCDBQTK-FNORWQNLSA-N 448.216 4.632 5 40 IJBB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2c1 13948071 KLRLNBSHFXCAKN-UHFFFAOYSA-N 425.491 4.981 5 40 IJBB Cc1ccc(-c2noc(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1 18946989 OEXQPPJZNVRCEV-UHFFFAOYSA-N 435.465 4.648 5 40 IJBB Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1I 59294592 XFIPTHRKHRFPKX-UHFFFAOYSA-N 430.629 4.722 5 40 IJBB Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 408680820 GZIYHFFNDQLCMY-UHFFFAOYSA-N 428.286 4.754 5 40 IJBB COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20140478 YRHJMZTVXMNOTN-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB CCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1[N+](=O)[O-] 72280483 QKFCDWBKQZROLB-MRXNPFEDSA-N 449.301 4.742 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 9349224 VAEUPOPJMFVROU-HNNXBMFYSA-N 438.145 4.711 5 40 IJBB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060271 RDNAJHPRTMPXRM-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 17124619 XRZAXSKNFQMUNJ-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc2ccccc2c1Cl 3240326 RRBXBNFPCVUEMC-JTQLQIEISA-N 434.857 4.656 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 39533278 KXZABZSAMLUIKO-UHFFFAOYSA-N 442.269 4.989 5 40 IJBB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409359079 MJJISVDQIRZAMH-PVGUKEHMSA-N 440.477 4.691 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1CCc1ccccc1 2318026 XOIJQGJMMWJTQB-UHFFFAOYSA-N 431.499 4.585 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2436649 LJNOUJWUPLFOIM-UHFFFAOYSA-N 445.567 4.920 5 40 IJBB Cc1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 10186767 QMDOUKUIEZYEOK-UHFFFAOYSA-N 432.505 4.992 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 13936229 ZUHDJJMVQMFFKC-UHFFFAOYSA-N 442.522 4.513 5 40 IJBB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 20412356 QOXJAWMDBJKEKR-DHZHZOJOSA-N 449.444 4.903 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1C 408638225 BUUSILVUTSKMCE-SFHVURJKSA-N 445.475 4.996 5 40 IJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1Cl 409154886 HRAQQMWTAHLBSA-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1840617 PGWMBDJIBAGZOY-UHFFFAOYSA-N 438.417 4.694 5 40 IJBB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c5c(cccc15)CC4)[N+](C)(C)CC3)OCO2 2106385 ZZBAZUAWNIQIJC-OAQYLSRUSA-N 430.524 4.622 5 40 IJBB biogenic Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C)cc1 10364858 LMPSBSZLQBTNAR-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408693649 BLGIHXMDIWZLLU-UHFFFAOYSA-N 437.818 4.887 5 40 IJBB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537345 UTLIRYVQFNNQJZ-UHFFFAOYSA-N 425.529 4.766 5 40 IJBB COc1ccccc1-n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2223082 GHFBIRFKQTVCHE-UHFFFAOYSA-N 447.498 4.649 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)nc21 9348187 YRDWTYKCINLOGW-UHFFFAOYSA-N 431.854 4.697 5 40 IJBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCC 16688380 CYRUAXPTFQXJKU-UHFFFAOYSA-N 428.316 4.901 5 40 IJBB Cc1cc(O)ccc1N1C(=O)c2cccc3c(N4CCCCC4)c([N+](=O)[O-])cc(c23)C1=O 20033333 VHXFYSBOEYFELE-UHFFFAOYSA-N 431.448 4.553 5 40 IJBB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 33324983 BWHBBXWEAYTQEU-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1ccc(Br)cn1)c2c34 95470751 ICFGPYWNHVBXJV-UHFFFAOYSA-N 443.256 4.999 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408693680 BUBKIROAFGILGD-UHFFFAOYSA-N 437.818 4.887 5 40 IJBB O=C(NCCCc1ccccc1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 8879054 IQWQHZRDNQLDIG-UHFFFAOYSA-N 431.495 4.955 5 40 IJBB biogenic O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cccnc1Cl 9439982 SLNKLFQJQLLGSJ-QGZVFWFLSA-N 446.246 4.833 5 40 IJBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C 3210980 WUSJNAVITVZCPN-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 17099812 WHEQVYIKVPCTAY-LLVKDONJSA-N 435.933 4.812 5 40 IJBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 3239497 NYZNBQIFPUIYEO-UHFFFAOYSA-N 445.406 4.745 5 40 IJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)OCc1ccccc1 8792360 UWYUVURSFWWQHS-UHFFFAOYSA-N 434.451 4.714 5 40 IJBB biogenic Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12592184 OFUMLIWGGBZUNM-UHFFFAOYSA-N 442.928 4.643 5 40 IJBB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@H]1CCc2ccccc21 27821651 FXDIFUGPMZYFFL-IBGZPJMESA-N 447.457 4.976 5 40 IJBB O=C(Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1 408666917 AHVVCZIPJQYOCZ-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB COc1ccc(CCn2c(-c3ccccc3C)nc3oc4ccccc4c(=O)c3c2=O)cc1 2229626 CMRJPBHZFLTJFO-UHFFFAOYSA-N 438.483 4.730 5 40 IJBB COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(NS(C)(=O)=O)c3)c2n1 5987758 ADHCGMCPJLWBMU-UHFFFAOYSA-N 428.901 4.560 5 40 IJBB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17098378 JZFRYUTXMYEYGH-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 57315629 GRMZKJLYBFUDLK-UHFFFAOYSA-N 436.287 4.763 5 40 IJBB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408820849 ZOYDIYROIXSGHP-SXGWCWSVSA-N 434.857 4.502 5 40 IJBB Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCc2cccc(-c3ccccc3)c2)c1 1588066148 KVMOOPMPYXHPMS-UHFFFAOYSA-N 440.503 4.788 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 832264 NAAIDEWJNWGTGA-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10059800 NJKYZRSTXAXTIQ-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 17095681 FRNVKPFGQFFAEP-UHFFFAOYSA-N 428.235 4.888 5 40 IJBB CN1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229155 STCWCXREVUYGLY-UHFFFAOYSA-N 430.936 4.550 5 40 IJBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408845125 ORMADQNMEDWSEV-KPKJPENVSA-N 429.797 4.716 5 40 IJBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 8670381 HGBFBWJKJFZPAP-UHFFFAOYSA-N 441.856 4.982 5 40 IJBB COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792371 QCBOJCWAAGNZEK-UHFFFAOYSA-N 449.466 4.618 5 40 IJBB biogenic CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 12550857 UZTQCRJOOBYMIJ-UHFFFAOYSA-N 426.501 4.969 5 40 IJBB O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 17178400 DKGHEOUBHWKEEO-NRFANRHFSA-N 433.489 4.804 5 40 IJBB COc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 20140468 BYNTYGDIFZDIIO-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB Cc1cc(C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)ccc1[N+](=O)[O-] 48365854 OOHGRTKDYOHZPE-UHFFFAOYSA-N 440.297 4.903 5 40 IJBB C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 408528092 AUGQXEUHYJJGEQ-MYDPPTLSSA-N 433.214 4.614 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccccc1 409225583 PVTSRCUIJRDYKQ-UDWIEESQSA-N 434.429 4.774 5 40 IJBB CN(C(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)C1CCCCC1 845323 ODJMXMMZICYQJP-UHFFFAOYSA-N 447.417 4.728 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1Cc1cccs1 8836053 ZHGCKIPSYYLEIR-UHFFFAOYSA-N 437.528 4.647 5 40 IJBB O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCO[C@H](c2cccc(F)c2)C1 95449290 JJUUJDRSCGXDOG-FQEVSTJZSA-N 430.501 4.982 5 40 IJBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408565292 BPXKZDZDOZSFJV-LJQANCHMSA-N 448.932 4.665 5 40 IJBB COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 408696307 ZNLAZJRUALLZEW-UHFFFAOYSA-N 449.854 4.757 5 40 IJBB Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(CC(C)C)c1C 9466594 GXLZSWVALJUJBU-UHFFFAOYSA-N 430.452 4.814 5 40 IJBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 225872961 PIYBZQIKJZQSOQ-UHFFFAOYSA-N 449.507 4.865 5 40 IJBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(Br)cc1 2483539 OLZNSEMDKMBWRG-UHFFFAOYSA-N 445.298 4.542 5 40 IJBB Cc1cc2oc(=O)cc(COC(=O)CCn3ncc4ccc([N+](=O)[O-])cc43)c2cc1C(C)C 32933302 HRJJQLZENNWXAW-UHFFFAOYSA-N 449.463 4.616 5 40 IJBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408802972 JTHQEJQGVRPAOK-UHFFFAOYSA-N 436.469 4.935 5 40 IJBB O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 609809711 BQUBYWJLWLKXMR-UHFFFAOYSA-N 448.414 4.633 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccccc1[N+](=O)[O-] 9518474 IYZHZMFTQXKUAV-UHFFFAOYSA-N 445.387 4.574 5 40 IJBB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 57364131 LXVOYXGPMQGVHD-UHFFFAOYSA-N 440.297 4.675 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223976196 WIZYGFGDTGGZOJ-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 408908643 XCSHCDXKOBLFHN-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=[N+]([O-])c1ccccc1-c1nnc(CSc2ncnc3sc4c(c23)CCCC4)o1 8435617 ISDIAGXAAKEAEE-UHFFFAOYSA-N 425.495 4.821 5 40 IJBB COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 8836479 NRBQCNGVGAHNNQ-UHFFFAOYSA-N 425.448 4.806 5 40 IJBB CC(=O)Oc1cn(-c2cccc(Br)c2)c2nc(C)n3c4ccccc4nc3c12 8871219 MATLDKUDIHNFHE-UHFFFAOYSA-N 435.281 4.823 5 40 IJBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccccc2)CC1 23384809 RHEIFBUQCCRRNV-DEOSSOPVSA-N 431.492 4.924 5 40 IJBB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 3400213 NJSBCOXLQNEBBY-AWEZNQCLSA-N 439.493 4.773 5 40 IJBB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)c1 9316608 UTEAGDXUELOAGO-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)n(C(C)C)c1C 12408988 UXNKAXYQZJHPKX-UHFFFAOYSA-N 441.509 4.679 5 40 IJBB CN1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229371 YPBKKMFDTYKXMH-UHFFFAOYSA-N 443.718 4.559 5 40 IJBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408565290 BPXKZDZDOZSFJV-IBGZPJMESA-N 448.932 4.665 5 40 IJBB CCO[P@@]1(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)C2=C1CCO2 2236396 YQTJMIRZOCKJCH-SSEXGKCCSA-N 427.353 4.515 5 40 IJBB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9128719 MWWHFURRFKMQSL-AWEZNQCLSA-N 447.871 4.514 5 40 IJBB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 13619154 VQYAYMYBMFZTNH-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 19633489 DVDHVUBWSBILTM-UHFFFAOYSA-N 441.443 4.862 5 40 IJBB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8992999 ITMMEMKNCPACEC-UHFFFAOYSA-N 444.447 4.961 5 40 IJBB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c([N+](=O)[O-])c1 20195582 CQDGHGDJTVVXEN-UHFFFAOYSA-N 438.296 4.726 5 40 IJBB O=[N+]([O-])c1cc(Br)cc2c3cc(Br)ccc3n(C[C@H]3CO3)c12 3151621 SIPRJNZZNJXSAN-JTQLQIEISA-N 426.064 4.627 5 40 IJBB O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc([N+](=O)[O-])cc1 6148200 FUJSDBRNMDHJRS-UHFFFAOYSA-N 431.448 4.543 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 12342258 PHWVEHCZWYPSSO-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccccc3Cl)nc21 2210622 GMAJKLJZWXXXTG-UHFFFAOYSA-N 427.891 4.617 5 40 IJBB Cc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 8837487 OARJVRPMJLHWKN-QFIPXVFZSA-N 430.420 4.803 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 14128922 PXTCFOZNYHGWSO-MRXNPFEDSA-N 434.448 4.879 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721413 GVDYQBFNORITTE-UEQSERJNSA-N 442.471 4.988 5 40 IJBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)c1 408994929 HZLZKJSTKVKTBL-UHFFFAOYSA-N 438.395 4.914 5 40 IJBB CCOc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 408997700 SKNCPMJDUQZTGS-UHFFFAOYSA-N 432.505 4.762 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 59433435 UCVWPAVELXJTSG-PGAZUGQPSA-N 438.483 4.864 5 40 IJBB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 6280251 VRQBSASMWQKZPN-HNNXBMFYSA-N 449.492 4.863 5 40 IJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 8836781 XRCAIZGGPFGWNV-UHFFFAOYSA-N 441.535 4.834 5 40 IJBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc([N+](=O)[O-])ccc1Br 9553529 VRIUQWPGNMXSBQ-UHFFFAOYSA-N 439.225 4.813 5 40 IJBB CCOc1ccccc1OCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3406510 YJWAFEIJRTYSMN-UHFFFAOYSA-N 427.482 4.915 5 40 IJBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9524250 PGMOKPXIUVCHPT-JBXUNAHCSA-N 426.472 4.591 5 40 IJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCCCC1 12561943 CGORIUHOELSYEZ-MRXNPFEDSA-N 430.936 4.698 5 40 IJBB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 13562508 OLOATPURPNDQGG-CJRSTVEYSA-N 439.471 4.660 5 40 IJBB Cn1cnnc1SCc1c2ccccc2c(CSc2nncn2C)c2ccccc12 970038 BRIYJTXUCCXKNA-UHFFFAOYSA-N 432.578 4.835 5 40 IJBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442762 XRMKUGJLKGPRNU-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C3=O 9328181 BNJZYALQSXHWTG-OAQYLSRUSA-N 430.416 4.656 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222851785 SYBHXKUOADQRRI-SFTDATJTSA-N 438.509 4.639 5 40 IJBB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1[N+](=O)[O-] 408633716 LRQGOBOXFFDEIE-DHDCSXOGSA-N 433.829 4.525 5 40 IJBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3094541 QEJPCMCLLSXZPW-UHFFFAOYSA-N 431.360 4.529 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 9109414 LDCZFVJSWIPHJA-QFIPXVFZSA-N 441.443 4.771 5 40 IJBB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16450624 MRDKOCWRKGRVTM-UHFFFAOYSA-N 446.282 4.744 5 40 IJBB Cc1ccc(Sc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])cc1 32124880 CVCLZDYNZFSRNT-BKUYFWCQSA-N 445.525 4.825 5 40 IJBB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224780805 XTJDXCPUNZKXEW-UHFFFAOYSA-N 426.494 4.697 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C3=O 9015666 QLRKUAIKBDMSIB-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB O=C(NC(=S)Nc1ccccc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9064613 BFPSTUKAJNVSRW-UHFFFAOYSA-N 446.282 4.744 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 19931657 PKEWPGDYYOEGBS-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(Nc1ccc(-n2cccn2)nc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 32754777 JXDXIPNOGMYNEF-UHFFFAOYSA-N 435.440 4.718 5 40 IJBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409360844 QGNQUCDDTPKTLQ-NDENLUEZSA-N 434.429 4.774 5 40 IJBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)c1 33580598 VVIAAIPTVUTIEA-UHFFFAOYSA-N 447.560 4.667 5 40 IJBB COc1ccccc1-n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2377065 JHBSCDLHOHXDBR-UHFFFAOYSA-N 447.498 4.898 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2425642 YYGSYJHNSBXEPB-HNNXBMFYSA-N 427.508 4.962 5 40 IJBB Cc1nn(CCCC(=O)Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 8661240 LHDKICQOAWLIRJ-UHFFFAOYSA-N 439.428 4.528 5 40 IJBB O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1cccc(Cl)c1 9310775 MXRXMNYBCANVDF-MTJSOVHGSA-N 449.850 4.925 5 40 IJBB Cc1ccc(C2=NN(C(=O)CCN3CCC(C)CC3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 10381736 UXXHZNSYKMFLPT-XMMPIXPASA-N 434.540 4.703 5 40 IJBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214401050 FPZSKKGGIMZPBN-GIDUJCDVSA-N 425.249 4.844 5 40 IJBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccs1 22076349 LKGCBDCWDYBBNK-UHFFFAOYSA-N 427.526 4.836 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Cl)cc1 95470816 MABXQLHIEWXWSV-UHFFFAOYSA-N 431.629 4.965 5 40 IJBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccc(Cl)cc1 408602314 CXDHYYZBPAMLMK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2426533 RNBHOFHYGRMMPD-UHFFFAOYSA-N 441.535 4.635 5 40 IJBB CCOC(=O)c1ccc(CNC(=O)CSc2nc3ccccc3c3ccccc23)cc1 12139472 IQYGBEOWPOBNHI-UHFFFAOYSA-N 430.529 4.973 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 40398816 CPLDEDJNSSLCJH-QJMRKGMQSA-N 443.547 4.766 5 40 IJBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 408564115 XXAOQMJMMACDPP-FCQUAONHSA-N 425.510 4.820 5 40 IJBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)(C)C)cc1 1826707 WGXNPTNIXGROQI-RCCKNPSSSA-N 447.491 4.849 5 40 IJBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2CC(C)C 2431442 BGYQBHIJTJEWNZ-UHFFFAOYSA-N 431.927 4.961 5 40 IJBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1Cl 95470746 KKOVTRZGPFZZRS-UHFFFAOYSA-N 432.175 4.764 5 40 IJBB COc1cc(/C=C2/SC(=S)N=C2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2067674 XOKYZMSXGFNSFX-VIZOYTHASA-N 433.423 4.633 5 40 IJBB COc1ccccc1-n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2365991 YSQSVBLWCVGLJY-UHFFFAOYSA-N 433.471 4.590 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 2749135 PIFOUEYTYFONCF-QHCPKHFHSA-N 442.431 4.772 5 40 IJBB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 3400211 NJSBCOXLQNEBBY-CQSZACIVSA-N 439.493 4.773 5 40 IJBB C[C@@H](Nc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 6177464 INUZDVJDBRMRHO-CQSZACIVSA-N 427.438 4.509 5 40 IJBB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17098952 DRLBTXKLEOPNLH-UHFFFAOYSA-N 434.521 4.865 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C 20294410 HBIRVYGBZFEUHT-UHFFFAOYSA-N 447.854 4.902 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408695092 OUAYSVMLFAOEDA-UHFFFAOYSA-N 437.818 4.887 5 40 IJBB COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4[N+](=O)[O-])c3C)C2)cc1 8623923 SXYVGHZBWSFFDO-IEBWSBKVSA-N 447.495 4.640 5 40 IJBB biogenic,in-vitro COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9666624 ORETWAIOBNFFQY-UHFFFAOYSA-N 448.353 4.571 5 40 IJBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 13624240 KADJGMUXEGUYOQ-UHFFFAOYSA-N 446.890 4.819 5 40 IJBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1[N+](=O)[O-] 27837740 NXNDEVAASLNMQL-UHFFFAOYSA-N 436.424 4.669 5 40 IJBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC 408564817 AKKCYFMIPAYYBW-NRFANRHFSA-N 442.541 4.792 5 40 IJBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8666236 AWXTVMYBDNOCOU-UHFFFAOYSA-N 436.493 4.582 5 40 IJBB O=[N+]([O-])c1ccc(Cc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 8835918 XZPVELYCHKRYNB-UHFFFAOYSA-N 447.310 4.749 5 40 IJBB Cc1ccc2[nH]c3c(cc(NCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9010006 MXMZDJIAOUMNCG-UHFFFAOYSA-N 439.515 4.757 5 40 IJBB COc1cccc2c1N(S(=O)(=O)c1ccc3oc4cc([N+](=O)[O-])ccc4c3c1)CCC2 12371696 MDOJDTLSEHURJM-UHFFFAOYSA-N 438.461 4.644 5 40 IJBB CC[N+](CC)(CC)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705792 JVQTZEAYDQOSMZ-NRWODLGLSA-N 431.685 4.973 5 40 IJBB O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16545785 VZLDPJDQKQUNQA-UHFFFAOYSA-N 429.398 4.729 5 40 IJBB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 17094410 SNDFPRCNLYZQKL-UHFFFAOYSA-N 425.466 4.811 5 40 IJBB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17095002 YIPPEVLSEHKHTM-HNNXBMFYSA-N 426.542 4.835 5 40 IJBB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c([N+](=O)[O-])c1 19637844 LUWGNCCXVGNLTG-UHFFFAOYSA-N 443.415 4.800 5 40 IJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(OC(F)F)cc3)cc2)c1[N+](=O)[O-] 408607522 SWERYARHRKCEEP-NYYWCZLTSA-N 445.378 4.681 5 40 IJBB Cc1ccc2nc(NC(=O)c3ccn(COc4ccc([N+](=O)[O-])cc4Cl)n3)sc2c1 2798782 GHZYSFSIMHPZEH-UHFFFAOYSA-N 443.872 4.652 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 8435602 IRYASUDHAIMEGK-UHFFFAOYSA-N 436.449 4.543 5 40 IJBB CNC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCCC2 9599758 VUHDVLVLNVBZPM-UHFFFAOYSA-N 429.523 4.752 5 40 IJBB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060315 DWQYBGOYPLVMPB-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225261648 ZXQNYUDHEQFXFU-RQZCQDPDSA-N 444.925 4.954 5 40 IJBB Cc1nn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 3165131 KSLBUQXEMHZRRD-UHFFFAOYSA-N 432.845 4.809 5 40 IJBB C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1 2637199 YCHWHUNKNKXINC-KBZZJAQTSA-N 444.487 4.769 5 40 IJBB CCOc1ccccc1-c1noc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 12267779 NFRLOKXYHLNFED-UHFFFAOYSA-N 435.392 4.661 5 40 IJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc2ccccc12 59503350 SCQUEJIIISJNOO-IOXNAGQWSA-N 446.462 4.625 5 40 IJBB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 223643288 YOGIBEMHDRDAIO-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB C[C@H]1C[N@+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 245229102 NECWCHVSDQSFPJ-OMPRRPFKSA-N 432.584 4.918 5 40 IJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 6077238 KLZQMMNRSGCZAZ-IBGZPJMESA-N 446.257 4.795 5 40 IJBB Cc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)C(C)C)cc1 9632575 FCJBHBPVALJMOM-VWLOTQADSA-N 443.499 4.752 5 40 IJBB Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1NS(=O)(=O)c1ccccc1 10328974 IYGFJRSSHQULKX-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c([N+](=O)[O-])c1 13145524 YYLFIYOHKDZBEZ-IBGZPJMESA-N 449.492 4.764 5 40 IJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 3325391 MVJNKPKSQRGHNQ-AWEZNQCLSA-N 440.477 4.906 5 40 IJBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442016 NZYVAAQYIYMRKD-UHFFFAOYSA-N 437.456 4.912 5 40 IJBB COc1ccc(N(Cc2cccs2)C(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 95457312 PRFXXACLEDKRHW-UHFFFAOYSA-N 448.298 4.669 5 40 IJBB COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1 1432722 WKTKUARNPJWNDX-DEOSSOPVSA-N 427.460 4.873 5 40 IJBB O=[N+]([O-])c1ccc(Sc2ccccc2Nc2nc(Cl)nc(Cl)n2)c([N+](=O)[O-])c1 2577800 KZUJXDUZCLYDOB-UHFFFAOYSA-N 439.240 4.890 5 40 IJBB O=C(Oc1cccc2ccccc12)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409181630 FAWNPRVFIXMKFS-UHFFFAOYSA-N 433.441 4.800 5 40 IJBB COc1ccc(-c2nc3sc(-c4ccc(OC)c([N+](=O)[O-])c4)nc3s2)cc1[N+](=O)[O-] 3667249 QXBIMPVHBPFBOB-UHFFFAOYSA-N 444.450 4.920 5 40 IJBB COc1ccc(-c2noc(-c3ccc(NCCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC 8586959 NPIMPXQJUMABHK-UHFFFAOYSA-N 446.463 4.984 5 40 IJBB aggregator O=[N+]([O-])c1ccc([C@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 409194901 FHAJJTNHVJDZEJ-JOCHJYFZSA-N 443.488 4.865 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1 10313869 CEPNNQGIPKUTNM-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1c(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] 16250141 LNCGWROGXOAGEE-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C)c(=O)[nH]c2c1 17163130 AXRYCNYPEAZKIR-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OCC(C)C 225565346 XJQIGDYEACYGFA-UHFFFAOYSA-N 426.513 4.933 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(CN2CCCCCC2)cs1 12527379 XBXRWTDWHYRWSB-UHFFFAOYSA-N 446.576 4.626 5 40 IJBB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 6878433 WWQPGGYCSZCZMT-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(C)cc1)OC2=O 11851805 FJIFYBOBIPQWRT-NRFANRHFSA-N 432.432 4.618 5 40 IJBB COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 12946170 GHWMPEIBYFHNNS-INIZCTEOSA-N 433.464 4.689 5 40 IJBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142754 FGVLSJGBAMEVEV-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C/[N+](=O)[O-])c1 33674401 KSRCDSHUFSGTKR-AATRIKPKSA-N 441.075 4.987 5 40 IJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)c1 2284841 LXRYZZIDLNNVRW-UHFFFAOYSA-N 431.499 4.835 5 40 IJBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(F)cc1 16228220 NLMATXCYEJVRFA-UHFFFAOYSA-N 425.460 4.523 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 17099814 WHEQVYIKVPCTAY-NSHDSACASA-N 435.933 4.812 5 40 IJBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20281757 OZDXTCMMGYSYAZ-HSZRJFAPSA-N 440.459 4.977 5 40 IJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408635018 WOLFIKVVVXKFKR-ODLFYWEKSA-N 437.433 4.958 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2cccc(Cl)c2)no1 10723131 UTESSCPAIMVUAG-UHFFFAOYSA-N 445.862 4.602 5 40 IJBB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 16899410 IVWQPRDMIXCHPL-AWEZNQCLSA-N 445.806 4.709 5 40 IJBB C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17527534 BAFSNDZIXXTIKW-SBKJXLNCSA-N 433.342 4.981 5 40 IJBB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 22528279 OSHJDTSADHMXEY-UHFFFAOYSA-N 438.505 4.924 5 40 IJBB O=c1oc2c3c(ccc2c2ccccc12)OCN(C1CCN(Cc2ccccc2)CC1)C3 9409882 DOOYBGWWSFYNRB-UHFFFAOYSA-N 426.516 4.763 5 40 IJBB O=c1c([N+](=O)[O-])c(Oc2ccc(-c3ccc(Br)cc3)cc2)nc2ccccn12 12906510 LPVNAMPOBXXXIK-UHFFFAOYSA-N 438.237 4.825 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 22761162 RUCASAHDFXAPAJ-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 205701898 IJCDGZPLIJICMO-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)c1 2720090 DBOIDWVKMSGMCM-UHFFFAOYSA-N 425.535 4.698 5 40 IJBB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 95444148 CMPWPMIPKDMOMB-UHFFFAOYSA-N 443.912 4.843 5 40 IJBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 214834433 OSWSHNOGZOSSEY-VIZOYTHASA-N 425.249 4.844 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N23)cc1 9319563 RSBJEZXJRKBQLG-RCTAOEEJSA-N 426.472 4.591 5 40 IJBB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14009734 GLTHIQKFAMDZTE-UHFFFAOYSA-N 436.331 4.782 5 40 IJBB CC1CCN(c2ccc(C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 15980104 HRBXNRDQVALYOI-UHFFFAOYSA-N 440.540 4.773 5 40 IJBB CCOc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 24347617 MZXQDCXWIQBTJU-UHFFFAOYSA-N 432.436 4.593 5 40 IJBB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 12909191 NTTCVAKSDVWDJD-ZDUSSCGKSA-N 448.401 4.641 5 40 IJBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 9190306 GNNJJLMTHIOKLS-UHFFFAOYSA-N 430.892 4.839 5 40 IJBB O=C(Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9328372 YWNSQWCNKZVDLD-UHFFFAOYSA-N 430.372 4.553 5 40 IJBB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccccc12 9544822 CIPQETSZYKDDFT-LLVKDONJSA-N 436.342 4.852 5 40 IJBB COc1ccc([C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 12523286 QNWYNDGJHJCJSD-OAQYLSRUSA-N 442.515 4.536 5 40 IJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 21788828 UBHICQYWZVHPKS-UHFFFAOYSA-N 442.353 4.680 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O 9088035 HHYWIRMIZUXHSQ-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060320 HMCNJUZWIOTTIO-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1[N+](=O)[O-] 408582368 NELZFGOKQGRFCN-UHFFFAOYSA-N 438.296 4.726 5 40 IJBB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409237502 XBDCELUOUHCULQ-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Cl)cc1 657960 FHZXOJZEHPZBDH-STZFKDTASA-N 435.867 4.966 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 976411 STJGENSOJLBYOJ-GOSISDBHSA-N 430.917 4.978 5 40 IJBB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 4575896 BKABMAUUXBWEBF-IBGZPJMESA-N 425.481 4.791 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCc1ccccc1)C3=O 9347671 DQNFWCWQZIEEIF-HSZRJFAPSA-N 440.455 4.798 5 40 IJBB Cc1ccc2c(c1)C(=O)C(=O)N2CCCn1c2nc3ccccc3nc2c2cccc(C)c21 9433880 JXKHHMHCBCWCKG-UHFFFAOYSA-N 434.499 4.974 5 40 IJBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 10059774 KEBZSSMKBBSQKI-FCHUYYIVSA-N 425.448 4.568 5 40 IJBB O=C1c2[nH]c3ccccc3c2[C@H](c2cccc([N+](=O)[O-])c2)OCCN1Cc1ccccc1 12376426 SYPMPHXMMZKFRT-DEOSSOPVSA-N 427.460 4.838 5 40 IJBB COC(=O)c1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13749685 IRIFTAIIXPTRIT-FYYLOGMGSA-N 429.432 4.624 5 40 IJBB O=C(Nc1ccccc1I)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13898019 YAUFLJFLUMUOPP-UHFFFAOYSA-N 434.189 4.712 5 40 IJBB CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)o1 408632757 SGGFZWQHAAXAFD-LFIBNONCSA-N 429.479 4.909 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 409248749 IKYZRJIAMKLKLE-YBFXNURJSA-N 437.839 4.910 5 40 IJBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n(CC(C)C)c1C 9466659 XPZTYXCRKPNEKK-UHFFFAOYSA-N 430.452 4.814 5 40 IJBB COc1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)cc1[N+](=O)[O-] 9493578 RLZZJHIKHHNXQD-UHFFFAOYSA-N 448.551 4.619 5 40 IJBB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 17163189 MAGZTDOAYGZDEV-UHFFFAOYSA-N 443.459 4.682 5 40 IJBB Cc1c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] 38860192 DNHJPITXQHJHPS-UHFFFAOYSA-N 432.318 4.516 5 40 IJBB O=[N+]([O-])c1ccc(N2N=N[C@@H](c3ccccc3)[C@@]2(c2ccccc2)N2CCOCC2)cc1 4972182 ONWMVGCMRGVUNF-ZEQRLZLVSA-N 429.480 4.709 5 40 IJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(F)cc32)cc1 13388719 WWOPGLGDYOPAJP-UHFFFAOYSA-N 439.244 4.930 5 40 IJBB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 28288752 UDBVNEVBIKYPBL-RUZDIDTESA-N 445.475 4.712 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 222375882 HFDPQUZKTCYZTR-UHFFFAOYSA-N 447.557 4.520 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260778522 RPFGMBYKVVQZPW-OBVPDXSSSA-N 436.493 4.848 5 40 IJBB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc([N+](=O)[O-])ccc2O)[nH]c1-c1ccccc1 9010233 COQFELPCKZEHCG-UHFFFAOYSA-N 432.392 4.941 5 40 IJBB O=Cc1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35657281 MKXSKOQPFGNJAW-UHFFFAOYSA-N 446.007 4.633 5 40 IJBB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 3287095 OCZWNNAFRJVUII-QFIPXVFZSA-N 434.448 4.757 5 40 IJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-] 58058985 TXAIRNHGMNTBOS-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6444726 WRNBJZUPZLBADJ-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)Nc1ccccc1[N+](=O)[O-] 12529169 CVGLOMRMNQBIDW-UHFFFAOYSA-N 446.872 4.693 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2407007 PPBCZSWONMDXFS-MRXNPFEDSA-N 441.535 4.825 5 40 IJBB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 16899407 QBLMQABJFWWJLV-CQSZACIVSA-N 445.806 4.709 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408918217 HSCDYRXYILKYCV-LQDNNDEMSA-N 444.874 4.650 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c(C)c1 408921119 DPIADDZLXZFRBY-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)c1 2761538 HYUHYVRKKCXYRA-UHFFFAOYSA-N 432.816 4.690 5 40 IJBB O=C(/C=C/c1ccco1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 9138693 NFTXXZYPLDYHTB-WAEYIKQSSA-N 426.812 4.778 5 40 IJBB Cc1ccc(-c2csc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)n2)cc1[N+](=O)[O-] 84190230 CYGGCUUAEOIDNL-UHFFFAOYSA-N 441.484 4.853 5 40 IJBB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408955986 ZIYQTLUBPBCGLI-MOSHPQCFSA-N 435.461 4.631 5 40 IJBB CCOC(=O)Cc1ccc(NC(=O)c2ccc(C)c(OCc3ccccc3)c2[N+](=O)[O-])cc1 3178052 GPNJXPPKANQBKA-UHFFFAOYSA-N 448.475 4.840 5 40 IJBB COc1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1OC(F)F 3518050 QASIPYJWCCLQLI-UHFFFAOYSA-N 426.371 4.913 5 40 IJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 408602112 AKRAUDQVAFXDEZ-VQHVLOKHSA-N 443.843 4.741 5 40 IJBB Cn1c(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)nc2sc3c(c2c1=O)CCCC3 716528 HMYLWFNRMAZPIV-UHFFFAOYSA-N 426.523 4.556 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nc(C)cs1)C3=O 9041933 SKGDMIUQYDHKIW-SFHVURJKSA-N 433.445 4.524 5 40 IJBB COc1ccc2oc(-c3csc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)n3)cc2c1 10883415 FMFYBYOZPMYDGL-UHFFFAOYSA-N 440.393 4.634 5 40 IJBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1F 409073461 NHJUMUSUEQSTCP-VCHYOVAHSA-N 441.802 4.740 5 40 IJBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](CC)C2 1102471 DNFSGFIOAOGVKN-AWEZNQCLSA-N 446.525 4.674 5 40 IJBB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8984395 FQBDWCIHHANRIN-GFCCVEGCSA-N 443.916 4.826 5 40 IJBB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2c2ccccc12 16097220 HLMIQINTKXAETA-LBPRGKRZSA-N 441.900 4.872 5 40 IJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)N1CCCC1 44087344 OTVGYECPNZSHOW-UHFFFAOYSA-N 442.928 4.815 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2[N+](=O)[O-])CC1 57315888 WJWMNEHRMAOXAB-UHFFFAOYSA-N 436.281 4.985 5 40 IJBB Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCC2)c(C(C)(C)C)c1 226071758 MFRPAURBQGWJSB-JOCHJYFZSA-N 427.565 4.751 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 9199581 VKTCGHVDGXXFRA-UHFFFAOYSA-N 425.514 4.717 5 40 IJBB O=C(Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1 17096853 VQBVOYHIMCHUPD-UHFFFAOYSA-N 430.464 4.700 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 859837 LYMQMKCPVZERPL-UHFFFAOYSA-N 426.498 4.982 5 40 IJBB Cc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2255291 ZXZGNRAMORUMMC-UHFFFAOYSA-N 426.392 4.761 5 40 IJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)c1 2302656 VATWCUPQXDNMSC-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 8739554 WOHVOOVYGXTEPL-NRFANRHFSA-N 425.444 4.645 5 40 IJBB CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c12 8607556 DHLBFQVPVCGQTB-UHFFFAOYSA-N 445.479 4.739 5 40 IJBB C[C@@H](Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-])C(=O)N1CCCCC1 40149330 WIYZXYKPYZZFCA-QGZVFWFLSA-N 446.507 4.813 5 40 IJBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 216034835 RXFXIBSDSZVXHU-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 223643714 NJVNRSSCZDPFMD-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408569095 ITVJMEAUSZLRCA-LJQANCHMSA-N 448.932 4.747 5 40 IJBB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)sc2n1 408624279 VIMLRVRNKFESTM-UHFFFAOYSA-N 429.527 4.564 5 40 IJBB Cc1ccc(Nc2nnc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])s2)cc1 9510262 WTYOVIBEDOECFY-UHFFFAOYSA-N 429.527 4.846 5 40 IJBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 25180756 DPLRILMNRYJYGJ-UHFFFAOYSA-N 444.447 4.893 5 40 IJBB Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 409172392 GZLLKNSYZJKOKF-UHFFFAOYSA-N 445.880 4.917 5 40 IJBB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3320393 ZJBVKHKMJFVPPT-UHFFFAOYSA-N 427.456 4.965 5 40 IJBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 12650321 CCKASUBJFFNMKN-QFIPXVFZSA-N 428.448 4.528 5 40 IJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl 409177549 BZLUYGHHNLZCRX-FQEVSTJZSA-N 440.795 4.937 5 40 IJBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2CCC1=CCCCC1 2249488 CHMSYHQSAZVGAY-IBGZPJMESA-N 443.551 4.672 5 40 IJBB COc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1[N+](=O)[O-] 3338636 NFVYZXGNIRGUPK-JOCHJYFZSA-N 434.448 4.757 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C3=O 9015665 QLRKUAIKBDMSIB-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 34931164 TTWPJIUMUIZCEC-UHFFFAOYSA-N 434.905 4.504 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024720 GDWYLLMUDJENMC-FCHUYYIVSA-N 433.537 4.696 5 40 IJBB Cc1cccc2oc3cc(NCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 8964815 DRZXNZDHFHYGJK-UHFFFAOYSA-N 439.515 4.757 5 40 IJBB biogenic Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 9009541 OUWYHEPQOUFSTG-QFIPXVFZSA-N 441.443 4.771 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1C 9226693 AFPMWZLHONEXAP-QGZVFWFLSA-N 433.464 4.870 5 40 IJBB Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)c1Cl 409181208 ZCPAXJWHLAOHDR-UHFFFAOYSA-N 445.880 4.917 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 409231521 KYKZYFSVOYMZJK-YBFXNURJSA-N 437.839 4.910 5 40 IJBB CCc1ccc2oc(-c3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3O)nc2c1 12651622 NZYBLHRJXJEIDX-UHFFFAOYSA-N 433.420 4.689 5 40 IJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 35146753 QOHHSJVTVWBKPO-LIKPIUCQSA-N 430.847 4.645 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccc(Br)c1 90426998 WQNLNSPGGQHGQR-UHFFFAOYSA-N 425.238 4.841 5 40 IJBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(C3CCCCC3)cnc21 2313827 RMNITLONWBKTOW-UHFFFAOYSA-N 439.519 4.857 5 40 IJBB Cc1ccc(Cn2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 8836463 VRBCJPGPKZBSBB-UHFFFAOYSA-N 440.419 4.820 5 40 IJBB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1 9030673 NHPNKJKPRALXKU-UHFFFAOYSA-N 442.493 4.742 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 9668816 BYFCJULYPVVBNM-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)Nc1ccc2c(c1)OCO2 12844362 YIVLWIOBCZVWII-DAXSKMNVSA-N 449.375 4.676 5 40 IJBB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 16805966 WPIVKHOZNLMAOX-UHFFFAOYSA-N 440.264 4.839 5 40 IJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 408545436 YSBOEQKIRGTPCM-LUAWRHEFSA-N 437.452 4.786 5 40 IJBB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n(C(C)C)c1C 12408306 HFXSNRCDTAHZTA-UHFFFAOYSA-N 441.509 4.679 5 40 IJBB CCCN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409250890 OQWCOSASFIQFCM-KGENOOAVSA-N 431.448 4.630 5 40 IJBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N(C)Cc2ccccc2)CC1 89553067 XXLFZYIEKRLHSY-HKUYNNGSSA-N 444.963 4.562 5 40 IJBB COc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 12772775 LNNDBYVWXRFSTM-BQYQJAHWSA-N 430.407 4.534 5 40 IJBB Cc1ccc(C)c(-c2nn(CN(C)Cc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c1 96795041 LFTYNHOVVBVUDX-UHFFFAOYSA-N 428.492 4.678 5 40 IJBB O=C(OCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4991621 RYQOKGPFXMBCMD-UHFFFAOYSA-N 444.440 4.857 5 40 IJBB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 8453332 ZIBVJAULSWTVGC-SECBINFHSA-N 444.079 4.526 5 40 IJBB CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C 409183046 QMUSYNYRWPELDS-QHCPKHFHSA-N 432.432 4.643 5 40 IJBB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409359076 MJJISVDQIRZAMH-MQMKENTISA-N 440.477 4.691 5 40 IJBB CN(c1ccccc1)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1 14920049 XIPLVJRZQYZIAW-NHDPSOOVSA-N 444.403 4.615 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 33931001 LUYGWVDBSGOOKN-JKEYDSJLSA-N 427.526 4.558 5 40 IJBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 862097 DJRKZMRSXFYZGM-UHFFFAOYSA-N 425.514 4.529 5 40 IJBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 12857531 GFFBBPCUGDQUOT-ZDUSSCGKSA-N 446.326 4.987 5 40 IJBB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1[N+](=O)[O-] 16449317 FYYNVDUGWJEFEO-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N32)cc1 229950588 RSBJEZXJRKBQLG-LIONHTAISA-N 426.472 4.591 5 40 IJBB CCOC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 409114586 IMLIYKSOBOHFJO-UHFFFAOYSA-N 434.539 4.584 5 40 IJBB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 1838454 BALZWFYGELRMEN-YBEGLDIGSA-N 443.246 4.740 5 40 IJBB CCc1sc(-c2nnc(CN3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)o2)cc1C 12783558 ATNIEZAAIDQKLY-UHFFFAOYSA-N 447.948 4.553 5 40 IJBB CN(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 13131168 DQEJNSVDPCVBFS-SFHVURJKSA-N 427.551 4.840 5 40 IJBB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 14360700 OTBULFZECJYALG-UHFFFAOYSA-N 441.443 4.914 5 40 IJBB C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 217540854 BKGQDHJNBGUGPK-YCUWUJFZSA-N 429.395 4.654 5 40 IJBB CCOc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC)cc1 2889743 VZJHTJGBCIKGEK-UHFFFAOYSA-N 426.450 4.761 5 40 IJBB CCOc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 6089793 BBVIAKZNXCHANL-UHFFFAOYSA-N 435.914 4.988 5 40 IJBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8405118 VDEABOSATNEJIX-UHFFFAOYSA-N 440.393 4.815 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2c(Br)c1OC 17097340 BJNQFPIBQLLJHO-UHFFFAOYSA-N 431.242 4.780 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409257585 UBNVFJSCVMOVLU-DEOSSOPVSA-N 447.516 4.930 5 40 IJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 2685923 WGLVCXLGPACDPA-QFIPXVFZSA-N 435.867 4.741 5 40 IJBB CCOC(=O)c1c(NC(=O)c2ccccc2)sc([N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1 6599499 FQPWDXOWZQHWPX-UHFFFAOYSA-N 441.421 4.661 5 40 IJBB CC(C)CNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] 9971916 MDJJZGWJBRMMDN-UHFFFAOYSA-N 438.572 4.923 5 40 IJBB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 13685534 GCCZAARKIOAWCT-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718450 ZVJTWYXYGJFHIS-SECBINFHSA-N 428.659 4.547 5 40 IJBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408565425 BVOMFNXBZNMWAA-NRFANRHFSA-N 442.541 4.710 5 40 IJBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 409353485 LVFMOQWBBOAZHH-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB Cc1cc(C)cc(-n2c(-c3ccccc3F)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2215948 KZODMMMSMFBVGP-UHFFFAOYSA-N 425.463 4.661 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 9959167 AWHDDVILOJXWHW-QHHAFSJGSA-N 439.729 4.992 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2C)cc1 10315285 WZVKIMSGBZZNKJ-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 16385516 XEDKOYSPTNHUDF-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB CCN1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229156 OXFGAIRVIXYGPQ-UHFFFAOYSA-N 444.963 4.940 5 40 IJBB O=C(Nc1cccc2ccccc12)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 78239573 MNHCWHXLXAVGIT-UHFFFAOYSA-N 448.456 4.768 5 40 IJBB O=C(Nc1ccccc1C(F)(F)F)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2798428 HDKJQRVLFVHYPN-UHFFFAOYSA-N 427.342 4.576 5 40 IJBB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 3269968 IXEJIQDFSRDOGL-QHHAFSJGSA-N 429.643 4.750 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12342259 QWRFFTIWIYJWEY-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1 2307399 QTZFRZPPVWUAQR-UHFFFAOYSA-N 439.519 4.857 5 40 IJBB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 8743030 WYJQDQRHMPNXGX-UHFFFAOYSA-N 449.492 4.699 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 9792833 QEMPXLLBEFYYLG-HNNXBMFYSA-N 449.463 4.635 5 40 IJBB Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(C)(=O)=O)cc3)c3ccccc3n12 12596461 NQTHDCSZOAMDQQ-UHFFFAOYSA-N 429.501 4.605 5 40 IJBB C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2(C)C1 103629167 DRDMQVSMQHFVGE-MBHLXIBLSA-N 430.697 4.708 5 40 IJBB O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)NC(=S)N1C1CCCCC1 409077344 DUQFCDQBMCHNJV-STZFKDTASA-N 437.521 4.564 5 40 IJBB COc1ccc(CCn2c(C)cc(C(=O)COc3c(Cl)cncc3[N+](=O)[O-])c2C)cc1 506556840 UTEWZXQLODXPMA-UHFFFAOYSA-N 443.887 4.575 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1053189 LQVSRYDSSROHQH-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB COC(=O)c1c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)sc(C)c1C 1083464 YLJUPKJJTGEWLP-UHFFFAOYSA-N 444.465 4.792 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2C2CCCCCC2)cc1 2203133 KOXPPUMYETWTFF-UHFFFAOYSA-N 429.520 4.819 5 40 IJBB COc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 3362254 YXHNMUNYSAAZPP-UHFFFAOYSA-N 427.453 4.699 5 40 IJBB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1[N+](=O)[O-] 9199621 SUCNRFNCYBOVNG-UHFFFAOYSA-N 425.514 4.717 5 40 IJBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])c1 9425865 VAEOJEQRLHSMBY-LSSDNNNWSA-N 438.483 4.648 5 40 IJBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccnc1Cl 9703570 YMTZEASIVKHMHU-KRWDZBQOSA-N 446.246 4.833 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33713572 CHVIAEZZKPKDOK-UHFFFAOYSA-N 446.828 4.543 5 40 IJBB Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc1C2=O 33808223 JDQCZLQIYYILAO-UHFFFAOYSA-N 438.871 4.743 5 40 IJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1sc2cc(Cl)ccc2c1Cl 35999673 BFVNKCZBKNCONH-UHFFFAOYSA-N 442.305 4.949 5 40 IJBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 409202970 UNPJGWYJRVAJKA-WOJGMQOQSA-N 444.465 4.543 5 40 IJBB COc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)ccc3o2)c1 2055610 SLMGLJZMGXSREZ-UHFFFAOYSA-N 448.391 4.881 5 40 IJBB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2440612 GXQPITHZYRUYLH-UHFFFAOYSA-N 442.446 4.560 5 40 IJBB O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 72229368 XJEBXOMVTLLRIM-UHFFFAOYSA-N 430.675 4.644 5 40 IJBB Nc1nc(Nc2ccc(Cl)cc2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 9193017 UKUQWYLNOURMJZ-UHFFFAOYSA-N 438.919 4.823 5 40 IJBB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 13146415 LRXFMCVTUGQHRK-QHHAFSJGSA-N 429.643 4.750 5 40 IJBB O=[N+]([O-])c1cccc(/C=C\[C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1 15947370 OAXGUCMUDYFMLK-VFCOFNOGSA-N 446.532 4.984 5 40 IJBB O=c1c2ccccc2oc2nc(-c3cccc(Br)c3)n(Cc3ccco3)c(=O)c12 2210195 AUZXETDUEPLLGA-UHFFFAOYSA-N 449.260 4.574 5 40 IJBB O=[N+]([O-])c1ncccc1OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 9633946 JFKVPSYDILGSKI-HXUWFJFHSA-N 443.253 4.939 5 40 IJBB COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20145107 CGTBBRQVTCUPKK-YCRREMRBSA-N 428.828 4.661 5 40 IJBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12 59503352 SCQUEJIIISJNOO-QDBPJBAASA-N 446.462 4.625 5 40 IJBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223363254 HFRSJXUWMUGOQY-LJQANCHMSA-N 445.947 4.513 5 40 IJBB O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12 13881917 WBWKDOXDABKTRU-UHFFFAOYSA-N 428.473 4.937 5 40 IJBB CC(=O)c1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 34138488 RHLSCRPQLLQQDZ-UHFFFAOYSA-N 439.221 4.514 5 40 IJBB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 3206546 DPZOYXHCYAHWRO-QHCPKHFHSA-N 445.471 4.803 5 40 IJBB biogenic COc1ccc(CSc2ncnc(SCc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 6973635 FGUVGLSRJZMRNC-UHFFFAOYSA-N 429.523 4.987 5 40 IJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 408567100 GLOZPSODHCGESE-IBGZPJMESA-N 448.932 4.747 5 40 IJBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 408607265 KJMBMWZNQGSFJO-UHFFFAOYSA-N 442.253 4.609 5 40 IJBB CCCN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409341589 FNHFWGSCHAGXID-LICLKQGHSA-N 429.410 4.742 5 40 IJBB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 9009687 VDCUMEJNYFDNEG-QFIPXVFZSA-N 441.443 4.771 5 40 IJBB CC1CCN(c2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2[N+](=O)[O-])CC1 12747449 WSKYYZRMORZKMN-UHFFFAOYSA-N 434.496 4.662 5 40 IJBB O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)sc2c1 13117250 AVMVVBVTWFDOTH-UHFFFAOYSA-N 437.808 4.678 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408995744 NBXWYTXVXRTLGF-UHFFFAOYSA-N 438.491 4.745 5 40 IJBB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2052816 SHTDHPRHRCIQHY-UHFFFAOYSA-N 448.391 4.881 5 40 IJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2312862 BBODGCDGZSBEJG-UHFFFAOYSA-N 448.324 4.846 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 2434710 FJJFTKZPCASRJN-CQSZACIVSA-N 443.507 4.580 5 40 IJBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1OC 9085978 YEGNFTUGWCJALS-GBXCKJPGSA-N 431.448 4.854 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 8827455 WUTIHULTWBMPGK-INIZCTEOSA-N 439.836 4.561 5 40 IJBB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20632458 WCSYTUOERBIVIB-QGZVFWFLSA-N 445.504 4.546 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222851660 SYBHXKUOADQRRI-RTWAWAEBSA-N 438.509 4.639 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224178286 QKIZRYZJLPMTLM-XZOQPEGZSA-N 441.516 4.958 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2246973 YGWHPARTUYNTFJ-HNNXBMFYSA-N 427.508 4.631 5 40 IJBB CCN(CC)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccc(C)cc1 3114908 SASYIUHYFKQOAI-JWGURIENSA-N 447.491 4.803 5 40 IJBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCN(c2ccccc2)CC1 8587030 YOGSANWAKFODAM-UHFFFAOYSA-N 427.464 4.638 5 40 IJBB Cc1nc(COc2cccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2)cs1 12783626 QBFUEDFMRTUQJR-UHFFFAOYSA-N 431.901 4.864 5 40 IJBB Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cccc1[N+](=O)[O-] 14412666 TWFWQZHLIIXHBQ-JOCHJYFZSA-N 437.477 4.523 5 40 IJBB Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 16789436 NTZKABHCESERCU-UHFFFAOYSA-N 431.477 4.521 5 40 IJBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 25329553 YBMORTIKWUIRQK-RDPSFJRHSA-N 429.432 4.608 5 40 IJBB COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 669090 KGNAFJBVOKUESF-CYBMUJFWSA-N 446.525 4.611 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1OC 2400285 HVEVMWSWFGAIRR-CQSZACIVSA-N 443.507 4.580 5 40 IJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12578454 WCCPKPIISTYWBX-AWEZNQCLSA-N 438.484 4.872 5 40 IJBB CC(C)CC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 26326454 RMSXDOCNCGHSJN-UHFFFAOYSA-N 427.504 4.778 5 40 IJBB COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1OC 408840300 AKQHWHAFOZTCNE-NTUHNPAUSA-N 444.852 4.825 5 40 IJBB C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 9127693 DYIHZDKIJDWWRE-LLVKDONJSA-N 431.857 4.556 5 40 IJBB CCCn1c(=O)n(C)c(=O)c2c3nc4sc5c(c4c(-c4ccccc4)c3[nH]c21)CCCC5 13097518 SYJVAGQZQUKQJV-UHFFFAOYSA-N 444.560 4.747 5 40 IJBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 14270730 WUOYZYYWLKHSAS-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)Cc1ccccn1 48289612 SXAYVKQUSJOEQB-UHFFFAOYSA-N 440.297 4.524 5 40 IJBB COc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417117 ZRTFNKIMKIWBCC-UHFFFAOYSA-N 438.280 4.659 5 40 IJBB COc1cc(CNc2c[nH]nc2-c2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 95467787 AYTKESKNOKAMMS-UHFFFAOYSA-N 431.452 4.580 5 40 IJBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1[N+](=O)[O-] 408573917 FJEWECXWFBLBMF-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] 13424517 AAVBZIRJRXJTRJ-UHFFFAOYSA-N 445.504 4.632 5 40 IJBB O=C(NCc1cc(-c2ccccc2)on1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 561093877 DUIUEEFWABFKNX-UHFFFAOYSA-N 431.398 4.545 5 40 IJBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 14270392 BBSXURNFMFNDJA-FPYGCLRLSA-N 440.706 4.537 5 40 IJBB Cn1c(-c2ccccc2)c(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c2ccccc21 28004967 TXUCMPLNBZCFLS-UHFFFAOYSA-N 427.416 4.544 5 40 IJBB Cc1cccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2251669 ZVMBSIRDJMUFMG-UHFFFAOYSA-N 426.392 4.761 5 40 IJBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2302251 GXGLFWCFVDTTDP-UHFFFAOYSA-N 447.926 4.536 5 40 IJBB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc21 8959755 BKBCAFYXLOVINB-UHFFFAOYSA-N 445.903 4.908 5 40 IJBB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 12855360 SEBPYCGYVJWGDO-NNTXTVRGSA-N 438.452 4.816 5 40 IJBB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 12855366 SEBPYCGYVJWGDO-ISZGNANSSA-N 438.452 4.816 5 40 IJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 12973315 MYTKVPVXFPVRSO-UHFFFAOYSA-N 443.862 4.605 5 40 IJBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408562889 SDOMNVKNMFQGHA-VZCXRCSSSA-N 446.326 4.957 5 40 IJBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1 408906653 CTZFOAFAQODJPQ-UHFFFAOYSA-N 447.472 4.801 5 40 IJBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 408918050 FNRUCCWREOJEFG-AYIBLLACSA-N 438.483 4.782 5 40 IJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 409310899 CMMSRRYAWXDDNN-SOFGYWHQSA-N 440.818 4.762 5 40 IJBB Cc1cc(C)c(NC(=O)c2sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[n+]2[O-])c(C)c1 2160948 QMHIOPHEOHWALD-UHFFFAOYSA-N 425.388 4.639 5 40 IJBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccco2)cc1 6280116 FJLIPZDUOKTADM-UHFFFAOYSA-N 449.492 4.783 5 40 IJBB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 9443079 ORYWWMXOQTYFAK-UHFFFAOYSA-N 440.839 4.623 5 40 IJBB COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5[N+](=O)[O-])CC4)c23)cc1 12634661 FDVPOLZECAJYCU-UHFFFAOYSA-N 447.520 4.602 5 40 IJBB O=C(O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 31715984 XNGAEWBIGCGDAO-BJKOFHAPSA-N 432.476 4.566 5 40 IJBB COc1cc(C(=O)O[C@H](C)c2nnc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 48354568 DTDBIKHTSOUVSO-SNVBAGLBSA-N 433.804 4.659 5 40 IJBB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)c1 9983429 YVSYVZSAKDKPTC-UHFFFAOYSA-N 435.918 4.883 5 40 IJBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408562278 OOIRRVGRHFHIAY-DQRAZIAOSA-N 440.481 4.719 5 40 IJBB CCOc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)cc1 2378114 PEUAQJSEOLETMT-UHFFFAOYSA-N 447.498 4.731 5 40 IJBB O=C(Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Cl)c1ccccc1 13942051 YJYDGOLUEOLBEC-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34793970 UQMHIFWRUVDDTC-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB Cc1ccc(NN2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1C 95470756 NPVZURLVNXCDPB-UHFFFAOYSA-N 440.253 4.750 5 40 IJBB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20632404 AIBZEVFYHLMOLW-QGZVFWFLSA-N 445.504 4.546 5 40 IJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 409177984 FJUHUSUCBSXREL-SFHVURJKSA-N 430.210 4.731 5 40 IJBB Cc1ccc(NC(=O)CCc2nnc(SCc3ccccc3[N+](=O)[O-])n2C)cc1Cl 9328782 YLPITBXXTLKPJQ-UHFFFAOYSA-N 445.932 4.549 5 40 IJBB COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 95457282 NMKBJFCJUPKHLP-UHFFFAOYSA-N 445.471 4.955 5 40 IJBB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 9323465 CFFFRPRUGHIGAZ-FHXOWUIVSA-N 429.860 4.518 5 40 IJBB O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1cccc([N+](=O)[O-])c1 16768927 QUWYGWNJKBMBDG-UHFFFAOYSA-N 440.264 4.882 5 40 IJBB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 223651040 PCQOROAEOWWOQM-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C 225676987 GENNVCVHOUBOFE-UHFFFAOYSA-N 440.496 4.867 5 40 IJBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)c1[N+](=O)[O-] 408605800 NDZHDUKGPBZBLP-RUDMXATFSA-N 431.807 4.872 5 40 IJBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2ccccc2o1 409340567 ZLAZQWPFKMTQAA-UHFFFAOYSA-N 437.481 4.659 5 40 IJBB COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3n2)cc1 8431951 IDGWACXWOHBMHZ-UHFFFAOYSA-N 444.403 4.979 5 40 IJBB COc1ccccc1-c1nc2c(c(=O)c(C)nn2-c2ccccc2)c2nc3ccccc3n12 9002152 KHEQDZNLZBSMME-UHFFFAOYSA-N 433.471 4.566 5 40 IJBB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cc(Cl)ccc1[N+](=O)[O-] 9569374 SOOKHMIZXUARRE-UHFFFAOYSA-N 425.828 4.687 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])c1 9425868 VAEOJEQRLHSMBY-XWYWGPMTSA-N 438.483 4.648 5 40 IJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)cc5C)nc34)c12 17099467 KQDZLKHVUDOSPH-UHFFFAOYSA-N 435.410 4.624 5 40 IJBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 37342268 XWXZBYNDCGFMOK-VIZOYTHASA-N 425.249 4.844 5 40 IJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2434272 SFQXZSHKCCBIQB-INIZCTEOSA-N 427.508 4.517 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060324 SLGNPWHSIIKNRG-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 35146754 QOHHSJVTVWBKPO-JQBYJRRVSA-N 430.847 4.645 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 40130842 OHBFBLFDYZWIKB-UHFFFAOYSA-N 425.489 4.787 5 40 IJBB Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1[N+](=O)[O-] 12890786 NNVVQNSSNURDLE-UHFFFAOYSA-N 425.876 4.794 5 40 IJBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br 34966001 PDURPYDSCGCTNP-NSHDSACASA-N 436.331 4.998 5 40 IJBB O=[N+]([O-])c1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 409301056 CMAQCIHNELQNRA-LREOWRDNSA-N 446.828 4.679 5 40 IJBB O=C(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 574661715 VKKPRIGCCRTFSX-IRXDYDNUSA-N 444.481 4.883 5 40 IJBB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10059803 SGZLPCHOFAAKHP-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCCCC1)C2=O 16284112 OGMNVPGKWIAGQD-QHCPKHFHSA-N 428.916 4.847 5 40 IJBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Cl)cc1Cl 16385044 UTGHQOLOUCMCEN-UHFFFAOYSA-N 432.175 4.764 5 40 IJBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)NCCc1ccccc1 35313216 LBAQECIBVAXANG-UHFFFAOYSA-N 430.558 4.844 5 40 IJBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223750374 MRIWTSWPNYIFNW-FQEVSTJZSA-N 445.947 4.514 5 40 IJBB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3274068 FXFSVZSJHXEGJZ-DEDYPNTBSA-N 448.818 4.812 5 40 IJBB COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9829701 JEUIWFVHESHYDK-ZHACJKMWSA-N 446.488 4.855 5 40 IJBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1 14903950 IYRPCQSGTJAFMV-IWIPYMOSSA-N 435.483 4.833 5 40 IJBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2OC)cc1 23343307 WCMQZRSAHLNRDC-LCUIJRPUSA-N 445.431 4.843 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 109234654 MOYINABKYROGIY-UHFFFAOYSA-N 439.280 4.991 5 40 IJBB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785766 PKQFIPLAJABDQI-UHFFFAOYSA-N 433.711 4.534 5 40 IJBB Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173345 KPROXCNWNQANIT-UHFFFAOYSA-N 436.415 4.937 5 40 IJBB O=C1N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409244409 CFKYGZHHTACOJI-XDHOZWIPSA-N 449.850 4.925 5 40 IJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14270586 VVFFCQRBADEBBI-UHFFFAOYSA-N 447.476 4.542 5 40 IJBB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c(C)s1 40074233 MABLJRJZPFIDBT-KZULUSFZSA-N 437.949 4.558 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918353 JLFBKHVVHCZBJU-ZKKFKWFVSA-N 444.874 4.650 5 40 IJBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6246588 ZMBVAJAJWPXVRO-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccc([N+](=O)[O-])c1 9892024 BNADFMGMVWNDDD-UHFFFAOYSA-N 438.823 4.503 5 40 IJBB Cn1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cn1 13643944 GDANADZUUNUCCO-UHFFFAOYSA-N 433.447 4.892 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2ccccc12 17096755 HOOPORSNSDJMTG-UHFFFAOYSA-N 430.283 4.637 5 40 IJBB Cc1cc(OCc2ccc(/C=C3\N=C(S)N(C4CCCCC4)C3=O)o2)ccc1[N+](=O)[O-] 36611172 QDIMFLALYSLFMY-UNOMPAQXSA-N 441.509 4.877 5 40 IJBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC 408565585 CLAGJUOEQYOVIR-HXUWFJFHSA-N 446.504 4.622 5 40 IJBB COc1cc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)cc(OC)c1OC 723809 ZHMGZZYVGVWYCP-IBGZPJMESA-N 448.475 4.980 5 40 IJBB Cc1ccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2(=O)=O)c(C)c1 10273868 PDJUQCCOXNMKTF-UHFFFAOYSA-N 437.477 4.547 5 40 IJBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1)c1ccc([N+](=O)[O-])cc1 39765687 MIAALIRJKGUJSH-UHFFFAOYSA-N 445.460 4.618 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1 8902529 GNRYBCXCJKPLDH-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB CCOc1ccc(CN(CC)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 12521610 IFAFLLLFWOIUCK-UHFFFAOYSA-N 444.531 4.611 5 40 IJBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C 14015978 FIDUZJUAMOVDBN-UHFFFAOYSA-N 444.827 4.695 5 40 IJBB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754273 IBCGYNHROHASLF-UHFFFAOYSA-N 426.538 4.888 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 876219 OJZAZFQIPDCQEP-KRWDZBQOSA-N 430.917 4.978 5 40 IJBB Cc1cccc(C2=N/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)O2)c1 8396589 HWETZXUQVKJHJV-UNOMPAQXSA-N 445.387 4.948 5 40 IJBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408923982 IVEBRAATPLAXLC-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)c1C 9316580 CRIHOCYRHTZXDN-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB COc1c(Cl)cc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1Cl 10010557 JEPVFGPNBKUGEJ-UHFFFAOYSA-N 428.253 4.781 5 40 IJBB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 12798601 QTUAIKVMLZYKFC-UHFFFAOYSA-N 425.876 4.876 5 40 IJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1986262 BTPKBZZZEQGDHW-UHFFFAOYSA-N 441.421 4.661 5 40 IJBB CCc1ccc2oc(-c3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 12856597 DJLJLDMXYFFDTE-UHFFFAOYSA-N 433.420 4.689 5 40 IJBB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 13550485 XFSPEZRUZBRIIP-XQNSMLJCSA-N 445.475 4.792 5 40 IJBB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 16681518 REBLOELGFCTPQW-XBXARRHUSA-N 449.338 4.695 5 40 IJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 36398182 RRJKPAIVUGRBDU-UHFFFAOYSA-N 436.489 4.784 5 40 IJBB O=C1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 36611224 CYZUYGNTKLBRLG-MOPGFXCFSA-N 442.899 4.801 5 40 IJBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 16477701 VUXVNZYRZQKKDE-UHFFFAOYSA-N 443.425 4.974 5 40 IJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409180480 UDSHCDBCMMAWTC-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 994616 WZBWMKAODQRXSI-IBGZPJMESA-N 433.449 4.932 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O 9088034 HHYWIRMIZUXHSQ-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3O)oc2c1 14270256 CZWBBFUNSBSVNG-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721411 GVDYQBFNORITTE-NAVOZUGXSA-N 442.471 4.988 5 40 IJBB Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C 409394019 UMEZEGISOGJIKY-NHDPSOOVSA-N 431.473 4.550 5 40 IJBB COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc(OC)c1OC 10120218 LKNFBALEBDOSLQ-UHFFFAOYSA-N 449.419 4.681 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc2cc(Br)ccc2c1 13133687 WIEQZSVYCHVRBJ-GFCCVEGCSA-N 445.269 4.925 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)ccc1Cl 19648423 XUOPXLABSOOZGI-UHFFFAOYSA-N 449.113 4.791 5 40 IJBB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 408562949 SMMVPGYMFNAULY-XDOYNYLZSA-N 431.901 4.856 5 40 IJBB CCCCn1c(-c2cccc([N+](=O)[O-])c2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2235561 CUCHVGMPNBDIRV-UHFFFAOYSA-N 425.828 4.532 5 40 IJBB COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2OC)c1 9731123 VBZNUONBNCIZDV-IZHYLOQSSA-N 445.431 4.843 5 40 IJBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12857525 GFFBBPCUGDQUOT-CYBMUJFWSA-N 446.326 4.987 5 40 IJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2418526 FBZYKZMKMSCVRU-UHFFFAOYSA-N 429.499 4.836 5 40 IJBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 10059767 HEEGZWWWJXZAJE-YADHBBJMSA-N 425.448 4.568 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 12651531 LUIJMGBCLBZMCO-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1cccc([N+](=O)[O-])c1 2656663 GCDRJRASYWAVNC-UHFFFAOYSA-N 449.488 4.770 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3241897 PWDDGXPYARLLSF-UHFFFAOYSA-N 430.416 4.705 5 40 IJBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(S(=O)(=O)C(F)F)cc1 9127267 NHQLARFUCYXLDP-UHFFFAOYSA-N 427.428 4.741 5 40 IJBB CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 9328973 TVAJDNKEAWKSQE-UHFFFAOYSA-N 445.932 4.723 5 40 IJBB C[C@H](NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 12602716 OKKRGRDFWQTWHQ-KDURUIRLSA-N 443.503 4.733 5 40 IJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccn1 13945469 PSSORSDYHQLZEG-VOTSOKGWSA-N 446.257 4.807 5 40 IJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccn1 98035362 PSSORSDYHQLZEG-SREVYHEPSA-N 446.257 4.807 5 40 IJBB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2054732 WUANTKBNQSMDLH-LDADJPATSA-N 431.360 4.640 5 40 IJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 9595499 BPPQSWSZPQZURR-UHFFFAOYSA-N 440.477 4.805 5 40 IJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 225872884 ZADSYHRZGYPWAM-UHFFFAOYSA-N 435.480 4.619 5 40 IJBB CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 13140787 UFAFWEJAQAOATI-UHFFFAOYSA-N 448.488 4.936 5 40 IJBB CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 16609921 NAZKBNAWHQGOCE-UHFFFAOYSA-N 448.431 4.775 5 40 IJBB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1OC 17949732 PZUSKQAPZIFDNZ-UHFFFAOYSA-N 447.447 4.954 5 40 IJBB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8687614 BJENLVAGPSSPAG-QFIPXVFZSA-N 429.388 4.998 5 40 IJBB aggregator Cc1ccc(-c2noc(-c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)n2)cc1 20897701 NFHGXNQHEIVJIA-UHFFFAOYSA-N 441.491 4.947 5 40 IJBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(Cl)cc1 409173105 JRTDEPBWZHOMLS-FYJGNVAPSA-N 449.850 4.925 5 40 IJBB Cc1cc(C)cc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)c1 9969434 UCFXTLJCXAOYDG-UHFFFAOYSA-N 437.477 4.547 5 40 IJBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c3ncccc23)n1-c1ccccc1 59488867 AFRKRUJHWSHACJ-UHFFFAOYSA-N 426.457 4.993 5 40 IJBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccc(OC)cc2)cc1 6501589 RXBZUUCSPHEFLV-UHFFFAOYSA-N 429.476 4.981 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060316 DWQYBGOYPLVMPB-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 12547070 CLVIQIWQUDATHI-UHFFFAOYSA-N 442.427 4.875 5 40 IJBB CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409178767 OLINTASWWDXUBU-QHCPKHFHSA-N 432.432 4.724 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372867 GKNVNEHISROXET-UHFFFAOYSA-N 429.904 4.535 5 40 IJBB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 408839076 MQBJCZQFLDJNPW-YLGLTRLVSA-N 440.411 4.558 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409237662 AYENKJYYJAMKQP-HYARGMPZSA-N 443.459 4.575 5 40 IJBB Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\Nc2ccccc2)cc1O 9144537 TZIOBTVUNKRBQA-RWEWTDSWSA-N 430.420 4.535 5 40 IJBB Cc1[nH]c(CN(C)C(=O)CSCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 89547805 KMSXTUMTQHEENC-UHFFFAOYSA-N 444.944 4.839 5 40 IJBB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408962244 XOTZDDHFAOZEEU-STZFKDTASA-N 448.504 4.688 5 40 IJBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O 409167050 GQSZVKVNEKFDQZ-SXGWCWSVSA-N 445.884 4.540 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 33698581 MIJMIPPHMREABD-NFJKTXFASA-N 444.874 4.819 5 40 IJBB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225088395 BARFSQXEHAXIBJ-UHFFFAOYSA-N 433.711 4.534 5 40 IJBB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17097713 ABWCTRGADLWRTN-UHFFFAOYSA-N 431.857 4.644 5 40 IJBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2ccccc2c1 17098862 QKJUFKHFWSLBEB-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 408545273 XGEWMOKYAXUGGG-NTMALXAHSA-N 425.397 4.948 5 40 IJBB COc1ccc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2F)c1 13012853 AMLCKQLTDOVUAP-UHFFFAOYSA-N 442.468 4.832 5 40 IJBB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] 33659811 PIKVJGJWZRNZHY-UHFFFAOYSA-N 432.933 4.674 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1 214652585 LECSCPDTONGLIW-XDHOZWIPSA-N 449.444 4.530 5 40 IJBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 408562616 QYGMDGFGWAFMIZ-DQRAZIAOSA-N 440.481 4.747 5 40 IJBB CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(OC)c(OC)c1 408834467 WELXAJXVHJRRMO-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1Cc1ccc(Cl)cc1 2249486 HFOZMIPJKSWCJS-UHFFFAOYSA-N 441.878 4.637 5 40 IJBB C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 3333553 OTWDEBARVZGBIF-BXUJETTOSA-N 440.452 4.906 5 40 IJBB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3NS(C)(=O)=O)c2n1 5881949 JUTJGSUWQBHGEO-UHFFFAOYSA-N 428.901 4.560 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 33382444 UQOWYFFQNYMDNG-UHFFFAOYSA-N 425.466 4.607 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409355111 BNIYEYUZFRGUBR-MUKKUYKPSA-N 427.423 4.510 5 40 IJBB COCCCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 8385913 VNXSGKTYAZXUCA-UHFFFAOYSA-N 439.855 4.778 5 40 IJBB CCOc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 9312852 OFHNRZRVDPWFHU-UHFFFAOYSA-N 448.527 4.568 5 40 IJBB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060326 SLGNPWHSIIKNRG-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409179773 TUSMSDSRVCOOBI-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB Cc1ccccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409182437 KVSXSYNIZIKROZ-RUZDIDTESA-N 446.459 4.789 5 40 IJBB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 10187565 BTPZFQBISAVDAJ-UHFFFAOYSA-N 434.477 4.845 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O 106682623 KVSANUIQUBANAZ-SXGWCWSVSA-N 434.857 4.589 5 40 IJBB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 224527043 ANYAIJIXHJYBRS-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB C[C@H](NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)c1ccccc1 8792429 LFIYFNFQWPURPC-KRWDZBQOSA-N 447.494 4.848 5 40 IJBB biogenic COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1OC 9553969 SCQHCIHRVTVJTC-LCUIJRPUSA-N 445.431 4.843 5 40 IJBB CCc1nc(COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cs1 12883106 PGOBYXZRXWWXGT-UHFFFAOYSA-N 442.518 4.924 5 40 IJBB CCOc1ccccc1N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 25425107 RJAWEMOTCVDLIK-UHFFFAOYSA-N 431.492 4.551 5 40 IJBB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 28612760 VLXQYJGGSGAUGZ-UHFFFAOYSA-N 433.464 4.619 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1Cc1ccccc1 2289578 PZVWZPMABYDSBO-UHFFFAOYSA-N 437.890 4.985 5 40 IJBB COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1OC 6148254 GSIMHUWKTCCYNN-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 10187614 FCCKTRRCNUCVIX-UHFFFAOYSA-N 426.479 4.517 5 40 IJBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 36393988 PPQUKZFDUPGRJB-ZDUSSCGKSA-N 428.876 4.596 5 40 IJBB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)cc1 22521569 CGLNMEWXSJCFCO-UHFFFAOYSA-N 438.505 4.924 5 40 IJBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc1C2 409051262 JVVPFVPMQRVABW-UHFFFAOYSA-N 446.282 4.646 5 40 IJBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9192295 FGMGYAPHWZEDEV-UHFFFAOYSA-N 448.479 4.991 5 40 IJBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20145318 NKULSLFCVFCHJJ-VQHVLOKHSA-N 442.811 4.867 5 40 IJBB CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087629 LZYLMELXIBCWBJ-UHFFFAOYSA-N 430.917 4.718 5 40 IJBB O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCO[C@@H](c2cccc(F)c2)C1 95449291 JJUUJDRSCGXDOG-HXUWFJFHSA-N 430.501 4.982 5 40 IJBB Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCCC2)n1-c1ccccc1 12427707 VBJSHJIEWCCCLY-UHFFFAOYSA-N 437.525 4.698 5 40 IJBB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl 12870792 DCPFGJSOHSURRZ-IBGZPJMESA-N 433.942 4.957 5 40 IJBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 16385788 JIBXJWNTXFPKHK-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 408682859 KBEZMKFKSMAWDB-UHFFFAOYSA-N 446.290 4.981 5 40 IJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1[N+](=O)[O-] 2242222 ZKXXULWWNNRUIA-UHFFFAOYSA-N 442.479 4.546 5 40 IJBB Cc1sc2c(c1C)c(=O)[nH]c1c(C(=O)NC3CCCCC3)c3nc4ccccc4nc3n12 6143833 QNJPFQMACCJDEL-UHFFFAOYSA-N 445.548 4.618 5 40 IJBB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccc(F)c([N+](=O)[O-])c1 59417103 YAEUFGZCWAXESJ-CYBMUJFWSA-N 428.338 4.563 5 40 IJBB Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)[C@H](F)C(F)(F)F)cc2[N+](=O)[O-])cc1 6245486 CGTBJXCDRBCMFT-CQSZACIVSA-N 442.337 4.914 5 40 IJBB CCN(CC(=O)Nc1ccccc1OC)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 68838053 CASYEKWONZCVTK-UHFFFAOYSA-N 431.798 4.741 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409243433 WJBBODIKMGNLRZ-WQRHYEAKSA-N 437.839 4.910 5 40 IJBB C[C@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2330156 ZHPZYFRLPKFCEE-GOSISDBHSA-N 431.499 4.952 5 40 IJBB C[C@H](c1ccccc1)n1c(-c2ccccc2F)nc2c(c(=O)c3ccccc3n2C)c1=O 2338983 BNAQUVCHHUCGMD-MRXNPFEDSA-N 425.463 4.664 5 40 IJBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16284422 XTISCHRDALRDIY-UHFFFAOYSA-N 425.807 4.682 5 40 IJBB COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 24716472 BQTGXNHZRFMTJO-UHFFFAOYSA-N 427.482 4.615 5 40 IJBB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 705992 DSFSQQNYTUEVRA-UHFFFAOYSA-N 449.326 4.738 5 40 IJBB O=C(O)c1ccc([N+](=O)[O-])c(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c1 2025167 WEAPXXAWMNYVCU-UHFFFAOYSA-N 426.406 4.931 5 40 IJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1 4326224 JPYRRWGOEQWKRE-UHFFFAOYSA-N 435.487 4.601 5 40 IJBB COc1cc2c(cc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)oc1ccccc12 9493993 CHFKRUZENNRMHI-UHFFFAOYSA-N 447.447 4.592 5 40 IJBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1 38179405 XIMMASNWPPZVDF-UHFFFAOYSA-N 439.544 4.750 5 40 IJBB COc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 830117 NMLOGMRHKTXIEV-UHFFFAOYSA-N 425.828 4.761 5 40 IJBB CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2335976 ULDITCJRKFDSPU-NRFANRHFSA-N 431.444 4.557 5 40 IJBB C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)Cc1ccccc1 2637197 YCHWHUNKNKXINC-NIQRWSHPSA-N 444.487 4.769 5 40 IJBB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C 2704787 VAQMWBNHWCFMNG-SFHVURJKSA-N 433.445 4.524 5 40 IJBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](CC)C2 2739236 NJWLSFPWOSIAFY-CEFACKQISA-N 428.510 5.000 5 40 IJBB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 9275155 KGEYVMMLOILNML-UHFFFAOYSA-N 445.254 4.874 5 40 IJBB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12547043 HCGYLLHJDSYKTJ-UHFFFAOYSA-N 433.455 4.849 5 40 IJBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13135118 AGWFWQBPMWYFME-UHFFFAOYSA-N 445.522 4.567 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1Cc1ccccc1 2355663 DNSWBAZHIOFHGN-UHFFFAOYSA-N 437.890 4.985 5 40 IJBB COc1ccccc1-n1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2371151 CNZLDRSTJSIIAS-UHFFFAOYSA-N 425.492 4.797 5 40 IJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C)cc2c1 9427752 UFYLIOSQWMOXRL-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc2N1 12988984 YZZDJDPAQHXLDL-UHFFFAOYSA-N 428.857 4.509 5 40 IJBB COc1ccccc1C1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 13566031 VMSCDTULOPUCQX-UHFFFAOYSA-N 426.516 4.749 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1C 408642697 PMIZSWGGBKOSQP-SFHVURJKSA-N 445.475 4.996 5 40 IJBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384645 LBLQVVGFNNJFPY-UHFFFAOYSA-N 448.228 4.883 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408736584 CZVYZPWFSQLMAW-XMMPIXPASA-N 445.519 4.815 5 40 IJBB COc1cc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc(OC)c1OC 408975206 KIVJZZFKRHHPQK-UHFFFAOYSA-N 428.448 4.542 5 40 IJBB CC(=O)N(c1ccccc1)c1cc(N(C(C)=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844561 XZYGCQGNDIMRFV-UHFFFAOYSA-N 434.408 4.872 5 40 IJBB biogenic Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 17180734 FWJHCDSXNLZRQI-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c(C)nn3-c3ccccc3)c3nc4ccccc4n23)cc1 6143813 ANMNSJINSCELCT-UHFFFAOYSA-N 433.471 4.566 5 40 IJBB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc([N+](=O)[O-])c1O 35415593 OCNKLNATCZKFGP-CWTRNNRKSA-N 445.541 4.766 5 40 IJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(F)ccc1C 408602178 AYBXIGZJCWALMX-RMKNXTFCSA-N 441.415 4.535 5 40 IJBB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 408736752 GXJDNFKRXROFGC-QHCPKHFHSA-N 447.491 4.688 5 40 IJBB CC[N+](C)(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](C)(CC)CC)ccc1-2 642141 TYEZSLQHQJBOGW-UHFFFAOYSA-N 440.628 4.628 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2246347 DVZDJPPNFZOHCN-UHFFFAOYSA-N 427.508 4.647 5 40 IJBB CCCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 2281818 YZMUNYFVXBUSAV-PGMHBOJBSA-N 433.464 4.542 5 40 IJBB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3011749 YUTHHMMVKWMGDZ-WOJGMQOQSA-N 449.350 4.779 5 40 IJBB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Br)c([N+](=O)[O-])c1 12758777 WTPSLQXBKBMSBY-UHFFFAOYSA-N 446.282 4.668 5 40 IJBB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538544 KGVNEXLSNKDKEI-LJQANCHMSA-N 447.557 4.518 5 40 IJBB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1 3226683 QTOLLVISHBTQFJ-UHFFFAOYSA-N 447.491 4.866 5 40 IJBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc([N+](=O)[O-])cc1Cl 9424515 QRAJIDDKRVXPJY-RMKNXTFCSA-N 438.783 4.619 5 40 IJBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 16778373 DUHCGHIWHCJYHT-UHFFFAOYSA-N 449.492 4.699 5 40 IJBB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106728899 VEDKLMDXAZOORR-UNOMPAQXSA-N 428.466 4.629 5 40 IJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccccc1 409223580 GHNIAUVHPJGSOM-APSNUPSMSA-N 437.260 4.821 5 40 IJBB O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1-c1ccc(Cl)cc1)CCS2 2720008 OFSNWQHYVYEISW-UHFFFAOYSA-N 431.926 4.735 5 40 IJBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9191386 ZYYRKVOSGGAYBX-UHFFFAOYSA-N 434.452 4.601 5 40 IJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2)cc1 14269476 GUDDRZUQUUFYRD-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB COc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1[N+](=O)[O-] 408535431 YTNASCOZBJBXTK-UHFFFAOYSA-N 427.416 4.947 5 40 IJBB COc1cc2c(cc1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12 2630140 VGGGHCZECYZGQC-DHZHZOJOSA-N 446.415 4.698 5 40 IJBB COc1ccc([C@H](O)[C@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 95976045 XETXBBKUSSLHJN-NPMXOYFQSA-N 426.444 4.747 5 40 IJBB O=C(Nc1cccc(OC(=O)c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 716840 CIWSGFPSNKSLEL-UHFFFAOYSA-N 441.237 4.829 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc21 2338671 BQWXYOYBHRRFBL-UHFFFAOYSA-N 444.491 4.719 5 40 IJBB O=[N+]([O-])c1cc(Br)cc2c3cc(Br)ccc3n(C[C@@H]3CO3)c12 3151622 SIPRJNZZNJXSAN-SNVBAGLBSA-N 426.064 4.627 5 40 IJBB O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1ncc([N+](=O)[O-])s1 8385409 ARYXFIJWJGWHAT-UHFFFAOYSA-N 425.445 4.695 5 40 IJBB COc1cc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c(C)cc1[N+](=O)[O-] 9439280 NDHPVHGEHVNGQZ-UHFFFAOYSA-N 434.857 4.575 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 59433410 ARNBKQMSGYPKIL-AYIBLLACSA-N 438.483 4.864 5 40 IJBB CCN1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229157 XBPIAMLGPGTTHY-UHFFFAOYSA-N 430.936 4.766 5 40 IJBB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 229904216 OLOATPURPNDQGG-NVPYSNMXSA-N 439.471 4.660 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 223066363 CPLDEDJNSSLCJH-RPPIVITFSA-N 443.547 4.766 5 40 IJBB CC(C)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408751110 WNASGRVYYMDQFE-UHFFFAOYSA-N 431.495 4.903 5 40 IJBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409340080 QDGSATUMAMMRNX-UTCJRWHESA-N 437.496 4.833 5 40 IJBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 13590214 SEBHKVSQVHUSHV-UDWIEESQSA-N 448.818 4.812 5 40 IJBB Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)cc1Cl 20611841 AQJBKKFEZGEEGQ-UHFFFAOYSA-N 441.871 4.906 5 40 IJBB CCOc1ccc(-c2cc3c(SCC(=O)c4cccc([N+](=O)[O-])c4)nccn3n2)cc1 38651956 JXVTWCLGSKLMHW-UHFFFAOYSA-N 434.477 4.678 5 40 IJBB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)n1 9009540 OUWYHEPQOUFSTG-JOCHJYFZSA-N 441.443 4.771 5 40 IJBB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c1C 9446068 IAFQUWFIDHSWBY-UHFFFAOYSA-N 427.442 4.507 5 40 IJBB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Br 9716358 GCGWULDDVZJRIK-UHFFFAOYSA-N 441.694 4.618 5 40 IJBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1ccccc1F 12427826 UFRVFIRHMKZQEL-UHFFFAOYSA-N 430.508 4.763 5 40 IJBB Cc1cccc(C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)c1[N+](=O)[O-] 58413510 YPDLYLMFBXNNOW-UHFFFAOYSA-N 426.423 4.591 5 40 IJBB O=[N+]([O-])c1ccccc1COc1cccc(OCc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 97977083 HWQRNJOEDWXPJY-UHFFFAOYSA-N 425.353 4.569 5 40 IJBB CCOC(=O)c1sc(-c2ccccc2)cc1Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9498477 HCUMEDKMYYDMMT-UHFFFAOYSA-N 447.490 4.696 5 40 IJBB O=[N+]([O-])c1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 13133756 DVTSWVGGCLJZLP-UHFFFAOYSA-N 434.521 4.906 5 40 IJBB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 17094599 PRVYRHYHSFKMBF-ZZXKWVIFSA-N 425.666 4.980 5 40 IJBB Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)c1 9414301 YGMOXOWOGCQJOG-UHFFFAOYSA-N 445.431 4.919 5 40 IJBB CCOc1cc(C(=O)OCc2csc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OC 19473352 IULQIRQBVCYIQC-UHFFFAOYSA-N 428.466 4.791 5 40 IJBB Cc1cccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3F)C(=O)O2)c1 41108839 RXLZEZXGLWGGMP-FYJGNVAPSA-N 432.407 4.966 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 2462577 PCAIBVHXWRZHFH-XTZNXHDOSA-N 429.498 4.965 5 40 IJBB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 15391682 XVSADVCWLZKDRE-UHFFFAOYSA-N 444.516 4.834 5 40 IJBB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])cc1 6472298 VPLZIRUIGAAFLL-OAQYLSRUSA-N 449.429 4.937 5 40 IJBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 8836478 YHFTUEVKIXAKFX-UHFFFAOYSA-N 425.448 4.806 5 40 IJBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13382063 HXFQNTSJWBQPGI-UHFFFAOYSA-N 425.404 4.841 5 40 IJBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289834 CHHCHYHZUGTNAQ-UHFFFAOYSA-N 444.516 4.576 5 40 IJBB Cc1c(C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cccc1[N+](=O)[O-] 48279564 HZNRYPWBCMPNQI-UHFFFAOYSA-N 440.297 4.903 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584969 PBYORVYVDINVGH-UHFFFAOYSA-N 426.275 4.891 5 40 IJBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1C 408736922 JUBQFTGPNJJDRP-QHCPKHFHSA-N 447.491 4.688 5 40 IJBB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(=O)c23)s1 9794167 QPKZLNWCQCRCLN-UHFFFAOYSA-N 425.491 4.594 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(CCc1ccccc1)CCc1ccccc1 15982218 XEEMOGFXZGUXEJ-HXUWFJFHSA-N 447.535 4.718 5 40 IJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140463 RGDUMBYGUFWUMI-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccco1 2330476 IUVKLHXRXAZCTO-UHFFFAOYSA-N 449.514 4.741 5 40 IJBB CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 6305164 PKKHUFPMWJKOOI-UHFFFAOYSA-N 426.513 4.663 5 40 IJBB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17098252 DZFIISOAPRLENN-UHFFFAOYSA-N 432.933 4.674 5 40 IJBB C[C@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398839 UBIAEIPBMUHLGE-OSWQYVSFSA-N 427.548 4.951 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409358555 LNLLWSRZQHHDKG-FRKPEAEDSA-N 437.260 4.821 5 40 IJBB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3[N+](=O)[O-])n2)c1 8586909 MKAOVBBSSKMFOV-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 9306316 KAHBGJOSZNDYSF-IBGZPJMESA-N 439.541 4.626 5 40 IJBB CN(C)C(=O)c1ccnc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c1 97162789 RYWVTMJREGYTHP-UHFFFAOYSA-N 426.860 4.749 5 40 IJBB O=[N+]([O-])c1cc2c(c(COc3ccc(Br)cc3Br)c1)OCOC2 14738135 YMMOURXQKFOIGP-UHFFFAOYSA-N 445.063 4.565 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 9016109 YPEULVNYBQAOGW-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB CCOc1cc2c(cc1NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)O[C@@H](C)C2 12609089 KIIMVUNZVXVINK-INIZCTEOSA-N 428.488 4.516 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2Br)cc1 27260947 AKIVXMXQRUEJFS-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB C[C@H](NC(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 2617038 QDCUIKZTVAWBQI-INIZCTEOSA-N 436.489 4.780 5 40 IJBB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284603 JGYBKOUMTVCXMZ-LBPRGKRZSA-N 449.385 4.598 5 40 IJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1OC 20411973 PLTHQJSEAHNVRK-UHFFFAOYSA-N 433.420 4.981 5 40 IJBB CCOc1cc(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c([N+](=O)[O-])cc1OC 24507331 MIAMZAXJFGODQH-UHFFFAOYSA-N 430.457 4.584 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)cc1 40398813 HIHMHMFKFHGGBU-BXKMTCNYSA-N 429.520 4.520 5 40 IJBB CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 58202972 YYSPCMHNBUZEJX-OAQYLSRUSA-N 425.529 4.510 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223358970 WVMNISBNGSAAAV-FCHUYYIVSA-N 445.504 4.546 5 40 IJBB CCOc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OCC)cc([N+](=O)[O-])c1 851628 PTHDALLEWJKBRJ-UHFFFAOYSA-N 449.463 4.897 5 40 IJBB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c([N+](=O)[O-])cc1C 12540675 PFFAKMDOLRSAIH-UHFFFAOYSA-N 445.431 4.815 5 40 IJBB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14269553 PUORQYZOWFQBLH-UHFFFAOYSA-N 442.541 4.541 5 40 IJBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 408686255 RFDWDMKEAWDJLR-JOCHJYFZSA-N 427.453 4.830 5 40 IJBB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 4008741 HSUBKRXKHKVCLC-UHFFFAOYSA-N 446.481 4.797 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260778453 RPFGMBYKVVQZPW-HBUDHLSFSA-N 436.493 4.848 5 40 IJBB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2[N+](=O)[O-])cc1 2194571 NGJHOZRTQWHSHH-UHFFFAOYSA-N 445.475 4.758 5 40 IJBB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc12 9829711 QMOJKYACLCWNEZ-UHFFFAOYSA-N 434.477 4.845 5 40 IJBB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17103099 XFLOVESGJDSSCN-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB Cc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 3848868 LXVBVGRMJIAQCP-UHFFFAOYSA-N 448.456 4.622 5 40 IJBB biogenic O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13928522 TZSUBMMUBXIIJK-BOPFTXTBSA-N 439.221 4.962 5 40 IJBB CC(C)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408749372 GHOKDKGKQCGJOR-UHFFFAOYSA-N 431.495 4.903 5 40 IJBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 9284473 JJVNSWVJPVHENY-UHFFFAOYSA-N 438.387 4.703 5 40 IJBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)c(F)c1 95394839 KVLRXKZEZXNKNN-QGZVFWFLSA-N 447.264 4.812 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729027 XBMZHGARWPGBIQ-DDBVPJQNSA-N 438.483 4.648 5 40 IJBB Cn1ncc2c(-c3cccc(OCc4cccnc4)c3)c3oc4cc(O)cc(O)c4c3nc21 524732854 ULPXNDDPWKOMIZ-UHFFFAOYSA-N 438.443 4.920 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 2474219 NZBCBCZBEWMAPD-UJKMTWAASA-N 430.847 4.645 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Br)ccc3Cl)nc12 10010553 SPQNYGUWGZNXSF-UHFFFAOYSA-N 442.678 4.881 5 40 IJBB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 10178218 RPICJQDSCABZBN-UHFFFAOYSA-N 437.506 4.635 5 40 IJBB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2[N+](=O)[O-])n1 8586888 YOHQSPBHMGHOCZ-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12527305 FRXGHJAKCKEPTK-UHFFFAOYSA-N 442.928 4.643 5 40 IJBB O=C(N/C(=C\c1c2ccccc2cc2ccccc12)C(=O)N1CCOCC1)c1ccccc1 13550034 GMHQBDSZCBNUQN-XHPQRKPJSA-N 436.511 4.623 5 40 IJBB O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Br)cc1 108246913 DCFLYYCKLVWVKC-BQYQJAHWSA-N 427.048 4.678 5 40 IJBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 409337253 XMZVFHUDKIVKJS-UITAMQMPSA-N 443.843 4.598 5 40 IJBB C[N+](C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([N+](C)(C)C)cc3)cc2)cc1 1685588 JBTXOVZNMYDOJS-UHFFFAOYSA-P 432.568 4.585 5 40 IJBB COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 24987343 YVJSKYCYRKDLDF-LJQANCHMSA-N 432.432 4.548 5 40 IJBB O=C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2N1Cc1ccccc1 78868995 FVSCYQKTSQTVCY-UHFFFAOYSA-N 435.867 4.832 5 40 IJBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1ccc(Cl)cc1Cl 9910202 XLAQOBPSWIXIHD-VIFPVBQESA-N 438.296 4.662 5 40 IJBB O=C(O)c1cc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)ccc1O 95471038 CQGRJEKPSSTHAF-UHFFFAOYSA-N 439.448 4.714 5 40 IJBB O=C(CSc1ccccc1)N(Cc1cccnc1)c1nc2ccc([N+](=O)[O-])cc2s1 10187729 IVASAOMOCAXRHQ-UHFFFAOYSA-N 436.518 4.925 5 40 IJBB O=C1N/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C1CCCCC1 39556220 RIUAGLPZDKARAL-HMAPJEAMSA-N 444.491 4.823 5 40 IJBB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 4090476 QBQNCRMEEXUZFC-UHFFFAOYSA-N 448.504 4.591 5 40 IJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1c(Cl)cccc1C(F)(F)F 9544652 SKERIGIVZFHAGE-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 9233157 VZMMBSJFWMLBET-YBFXNURJSA-N 428.466 4.629 5 40 IJBB O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1ccc([N+](=O)[O-])cc1 12630626 OMMFVWVGNVAFLJ-UHFFFAOYSA-N 438.823 4.503 5 40 IJBB COc1cc(COc2cccc([N+](=O)[O-])c2)c(OC)c(COc2cccc([N+](=O)[O-])c2)c1 2066610 OQSASAAQPCTSNY-UHFFFAOYSA-N 440.408 4.678 5 40 IJBB Cc1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)oc2ccc(Br)cc12 2664621 KWRHSHNGCOYBDZ-UHFFFAOYSA-N 448.225 4.635 5 40 IJBB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)on1 11008478 JTEPLAKNVGQQBZ-GFCCVEGCSA-N 445.815 4.521 5 40 IJBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)n1nnc2ccccc21 12619408 ZZCVBNLMAHELCJ-BUHFOSPRSA-N 436.431 4.546 5 40 IJBB CCN(Cc1ccc(OC)cc1)c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] 15833843 NKSIREKTLXZYOG-UHFFFAOYSA-N 431.452 4.742 5 40 IJBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2CCC1=CCCCC1 2249487 CHMSYHQSAZVGAY-LJQANCHMSA-N 443.551 4.672 5 40 IJBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Sc1ccccc1 2655397 MRTAPMDSRQXMSQ-BUHFOSPRSA-N 434.473 4.941 5 40 IJBB O=[N+]([O-])c1ccc(S(=O)(=O)c2cn3cc(-c4ccc(Cl)s4)nc3s2)cc1 12548336 KOWPNWZDPBIOFI-UHFFFAOYSA-N 425.900 4.519 5 40 IJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 409177962 FJUHUSUCBSXREL-GOSISDBHSA-N 430.210 4.731 5 40 IJBB Cc1ccc(C2=NN(C(=O)CCN3CCC(C)CC3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 10381734 UXXHZNSYKMFLPT-DEOSSOPVSA-N 434.540 4.703 5 40 IJBB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C 13138090 DKGWULSBJIYOKK-UHFFFAOYSA-N 439.541 4.535 5 40 IJBB Cc1cc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)c(S(C)(=O)=O)s1 17198243 MIPHHVTZKBLFEQ-HXUWFJFHSA-N 441.534 4.724 5 40 IJBB CCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 30822781 VKTIVMMMIVFXHI-UHFFFAOYSA-N 426.494 4.697 5 40 IJBB O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 35352348 MCSDNLSAYZDNSM-UHFFFAOYSA-N 444.535 4.701 5 40 IJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187774 YFRBDFBJQBTUGN-UHFFFAOYSA-N 436.226 4.503 5 40 IJBB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 12342371 IEUWQYANGGXDPK-HXUWFJFHSA-N 441.940 4.839 5 40 IJBB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34688713 NBSYUONLGJZNLP-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225507018 MMEPBKISQSREKR-UHFFFAOYSA-N 437.540 4.910 5 40 IJBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 8836052 ROZOGTOVLSQJNQ-UHFFFAOYSA-N 433.556 4.789 5 40 IJBB O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 9507203 ZEUYXJMWBOPGOY-UHFFFAOYSA-N 441.292 4.886 5 40 IJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12578446 WCCPKPIISTYWBX-CQSZACIVSA-N 438.484 4.872 5 40 IJBB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13083052 HVMCWMFGUREYKH-UHFFFAOYSA-N 446.532 4.622 5 40 IJBB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2c1C 9253424 KWEBSGRUMMMSMP-UHFFFAOYSA-N 435.358 4.507 5 40 IJBB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc2c1 10187592 TYESBJOHIZGJFW-UHFFFAOYSA-N 426.479 4.517 5 40 IJBB O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 12223510 RVCBNWGJERMNIB-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561650 SAECPGVEFLJJHH-HYBUGGRVSA-N 429.432 4.608 5 40 IJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccccc3c2=O)cc1OC 101318611 WWRKGPZYNIEHPS-UHFFFAOYSA-N 446.415 4.638 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Br 842511 DEIWHIVRLNRKFA-QPJJXVBHSA-N 426.064 4.772 5 40 IJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 6150770 KFQQCAXXTXWCRH-UHFFFAOYSA-N 427.508 4.791 5 40 IJBB COc1cc(NC(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(C)cc1[N+](=O)[O-] 9141262 PSJUYZZOJFRSPZ-UHFFFAOYSA-N 445.526 4.546 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1Cl 5011978 JGELUPWGRPYSDA-UHFFFAOYSA-N 449.113 4.791 5 40 IJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797269 YKDRBTWZZOLKFR-JOCHJYFZSA-N 425.448 4.872 5 40 IJBB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409178586 LNKQFBRXIVABPD-UHFFFAOYSA-N 435.432 4.531 5 40 IJBB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2054730 PSKSOJVTOANCHS-WOJGMQOQSA-N 449.350 4.779 5 40 IJBB Cc1ccccc1C1=N/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)O1 2054736 COVIWXSCHIKMKX-XDHOZWIPSA-N 445.387 4.948 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1 13133688 WIEQZSVYCHVRBJ-LBPRGKRZSA-N 445.269 4.925 5 40 IJBB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 408721410 GVDYQBFNORITTE-CJRSTVEYSA-N 442.471 4.988 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14153638 OTQASPINPDOPFJ-QFIPXVFZSA-N 437.477 4.523 5 40 IJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 17122618 PZYACAXONDWGIZ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)cc1C 9282600 ZTJQUIQKTIISSX-UHFFFAOYSA-N 432.528 4.787 5 40 IJBB O=c1nc(Cc2ccccc2)n(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cc12 13028243 ITTSQBMRWZFHSL-UHFFFAOYSA-N 439.393 4.963 5 40 IJBB Cn1ccnc1[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 29068813 SNWKPANSYCETLB-QFIPXVFZSA-N 427.464 4.591 5 40 IJBB O=c1c2ccccc2sc2nc(-c3cccc([N+](=O)[O-])c3)n(Cc3ccccc3)c(=O)c12 2230768 UIZHUSGBPFSVCG-UHFFFAOYSA-N 441.468 4.595 5 40 IJBB O=[N+]([O-])c1ccc2sc(SCc3nc4sccn4c3Br)nc2c1 8817680 YXIOZINQZBYLBC-UHFFFAOYSA-N 427.330 4.969 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N23)cc1 12062442 RSBJEZXJRKBQLG-QORCZRPOSA-N 426.472 4.591 5 40 IJBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(F)cc1Cl 16699433 FTLBLQNXRRACFB-LLVKDONJSA-N 432.791 4.831 5 40 IJBB CCOc1ccc2nc3sc(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])c(N)c3cc2c1 6134270 JHTPYBAFYMNHIU-UHFFFAOYSA-N 438.465 4.600 5 40 IJBB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 8739779 ZNFLUMNWNJEJHS-UHFFFAOYSA-N 447.495 4.845 5 40 IJBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1Cl 20610794 SOGWWQIVYFEVPA-UHFFFAOYSA-N 437.843 4.551 5 40 IJBB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 20765384 ZSFPKWRBUKNVHI-UHFFFAOYSA-N 441.694 4.618 5 40 IJBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)C1 408974736 CWFNQDSESXMKBM-KRWDZBQOSA-N 446.576 4.718 5 40 IJBB O=[N+]([O-])c1ccc(SCCOc2nonc2-c2ccccc2)cc1N1CCCCC1 8984791 ACFSNTGFRBWARG-UHFFFAOYSA-N 426.498 4.806 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9665873 HFOIIBQAIYAKOT-UHFFFAOYSA-N 437.296 4.692 5 40 IJBB CNC(=O)c1ccc(CN(Cc2ccco2)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12545243 MYIMUFINYZXWGH-UHFFFAOYSA-N 433.386 4.773 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nc(C)cs1)C3=O 13592955 SKGDMIUQYDHKIW-GOSISDBHSA-N 433.445 4.524 5 40 IJBB Cc1nc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 409189992 PJTVASOKWGPFFX-JAIQZWGSSA-N 449.492 4.551 5 40 IJBB CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 13112468 XFNHBZVPIZPPLG-ZDUSSCGKSA-N 437.485 4.597 5 40 IJBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 21577890 RBMDZNYJWYTWRR-UHFFFAOYSA-N 426.492 4.967 5 40 IJBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10022024 MBSDNHLEUJTOKR-NXEZZACHSA-N 445.686 4.978 5 40 IJBB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17094918 IHVLZKSMTLHPEA-BJMVGYQFSA-N 426.523 4.854 5 40 IJBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 408604375 IKMZBZFRJMGVAI-SFHVURJKSA-N 449.916 4.644 5 40 IJBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)c1 2238045 OZPKVELIVPGDKF-UHFFFAOYSA-N 425.492 4.797 5 40 IJBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccccc1 6444238 MTANXXPFLDZGHT-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB O=C(O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C\c1ccccc1 103890721 SBHQXLAOGANXOY-NSIKDUERSA-N 433.332 4.679 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408608003 LMXQKCZKACOFIB-UHFFFAOYSA-N 427.932 4.767 5 40 IJBB COc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 408631974 BXRMEKDNKKECMU-ODLFYWEKSA-N 437.433 4.958 5 40 IJBB Cc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 8711541 RZHYQKGVCWPFBM-IBGZPJMESA-N 448.426 4.892 5 40 IJBB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 24493475 GNSOMTHRDOEYOC-UHFFFAOYSA-N 425.913 4.596 5 40 IJBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 229950452 PGMOKPXIUVCHPT-OJJQZRKESA-N 426.472 4.591 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 409221625 TZBKFTULBVNWLW-OEAKJJBVSA-N 443.459 4.575 5 40 IJBB CCCN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)C1=O 409354422 FGSCPSOUBYRPHB-BOPFTXTBSA-N 429.454 4.627 5 40 IJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N1CCC(c2ccccc2)=N1 8760845 OGTXWXKUMJRZKH-UHFFFAOYSA-N 437.528 4.764 5 40 IJBB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9128761 CMWCQVBNDFWKTF-LBPRGKRZSA-N 442.855 4.596 5 40 IJBB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 13562505 OLOATPURPNDQGG-UEQSERJNSA-N 439.471 4.660 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 10187640 ZTRSNDOTTSOMIW-IZZDOVSWSA-N 434.452 4.985 5 40 IJBB Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 16292915 IBXZIIJLYPAIDE-LJQANCHMSA-N 446.459 4.792 5 40 IJBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 16695834 LAXGRBUGAQQFBN-ZHACJKMWSA-N 441.447 4.585 5 40 IJBB CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](O)c1cccc(OCc2ccccc2)c1 89621119 FGAAYEUWDZCUPF-QHCPKHFHSA-N 434.492 4.550 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc(Cl)cc3)nc21 2229128 DVSKNOCULDSYAI-UHFFFAOYSA-N 427.891 4.617 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(CC)c1 2401362 JUNCTYFCWVIZCG-UHFFFAOYSA-N 441.535 4.581 5 40 IJBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 9260908 UALPBKASMGNCSM-YXHQGMJNSA-N 429.454 4.626 5 40 IJBB O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9493582 OEOHRDVMIUNQBA-UHFFFAOYSA-N 429.281 4.566 5 40 IJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(Cl)nc3ccccc23)CC1 9721001 SXOSEVYRPBGYDQ-UHFFFAOYSA-N 437.809 4.537 5 40 IJBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC 12764735 WAEVUSSUDMBJNV-CQSZACIVSA-N 441.509 4.632 5 40 IJBB CC(C)N(CC(F)(F)F)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 36391934 JSEBXIAWSGZKNN-UHFFFAOYSA-N 441.372 4.629 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 59433413 ARNBKQMSGYPKIL-ZCOIRKDISA-N 438.483 4.864 5 40 IJBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408630557 BSBJAMIFALSRMU-LZYBPNLTSA-N 446.872 4.568 5 40 IJBB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409355650 CZFWOKNROSPTLC-VCHYOVAHSA-N 446.868 4.566 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(-n2cc[nH]c2=S)c1 40087158 STBGOMXUFKRUEL-UHFFFAOYSA-N 426.501 4.642 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 408918350 JLFBKHVVHCZBJU-LQDNNDEMSA-N 444.874 4.650 5 40 IJBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1CC1CCCCC1 409136741 VBPAYOFGWPNGRD-VGOFMYFVSA-N 441.303 4.680 5 40 IJBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 4016006 LWDDOUINTHHAAH-IBGZPJMESA-N 446.257 4.795 5 40 IJBB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C2)cc1 9280850 IVZFLAYIPRSAIA-GOSISDBHSA-N 430.464 4.673 5 40 IJBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223363191 HFRSJXUWMUGOQY-IBGZPJMESA-N 445.947 4.513 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2[N+](=O)[O-])CC1 10037415 SUSBRMWDKHVMSQ-UHFFFAOYSA-N 437.525 4.526 5 40 IJBB COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N32)cc1 12062443 RSBJEZXJRKBQLG-OJJQZRKESA-N 426.472 4.591 5 40 IJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 13388717 JUPNLWCMZULSLY-UHFFFAOYSA-N 439.244 4.930 5 40 IJBB COc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 33527579 BFZORUYGORRIKK-UDWIEESQSA-N 448.862 4.980 5 40 IJBB CSCC[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 49649891 NJMOKDFLRCGBJP-SFHVURJKSA-N 436.493 4.955 5 40 IJBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 106691926 NMFDVABIJWMUNT-NVNXTCNLSA-N 437.246 4.733 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225024498 SKWUUEJJIFXNCQ-FGZHOGPDSA-N 433.537 4.696 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1ccccc1Cl)C1CCCCC1 853546 FCWRKMDUMLXVHN-UHFFFAOYSA-N 429.904 4.970 5 40 IJBB Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442315 XUSVUFDHVWGLLI-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 22197134 ZBOVUXZKPJIKRW-UHFFFAOYSA-N 431.242 4.556 5 40 IJBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC 408554433 CSUAXMHIQLVFJT-UHFFFAOYSA-N 442.253 4.609 5 40 IJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2246748 KXWNSNIKAHYLIN-UHFFFAOYSA-N 437.425 4.958 5 40 IJBB COc1ccc(Cn2c(C3CCCCC3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2353179 XNRPFRYEOOOKTB-UHFFFAOYSA-N 446.503 4.616 5 40 IJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2404613 QSFWQONQPPPXSI-UHFFFAOYSA-N 448.324 4.765 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 408918351 JLFBKHVVHCZBJU-NFJKTXFASA-N 444.874 4.650 5 40 IJBB O=C(CSCc1ccccc1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 9391019 QFPKHVOXCPBIHF-UHFFFAOYSA-N 432.552 4.611 5 40 IJBB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 11083719 GGCQJGDBCLMVEQ-UHFFFAOYSA-N 441.491 4.855 5 40 IJBB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nn12 14273216 PTDZSKDBFLFKHX-UHFFFAOYSA-N 446.448 4.582 5 40 IJBB CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088213 YSZGELHWDCEZNS-UHFFFAOYSA-N 449.435 4.704 5 40 IJBB CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OC)c(OC)c1 408829497 OKWNSMANGLNGCL-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9428258 CVSYJMWDIBFUBJ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2O)no1 12848738 CBHQDNOHBQCLJK-UHFFFAOYSA-N 433.376 4.706 5 40 IJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1C 13597401 HFJOBAIHYASLTG-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1 20142810 QUQFTTPDRWRGMQ-UHFFFAOYSA-N 435.480 4.898 5 40 IJBB CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 2080093 OOOXSRREYCNUAM-LLVKDONJSA-N 447.469 4.507 5 40 IJBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 19927294 NLGWDDBWSWEVQN-UHFFFAOYSA-N 447.314 4.611 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 216252856 LQYXQTWBNDFHNT-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(-c3cc(C)cc(C)c3)cnc21 2195390 JTVPMXTYJRDTLN-UHFFFAOYSA-N 447.498 4.898 5 40 IJBB Cc1oc(-c2cccs2)nc1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 11221690 GFEVBJKIORFMHP-UHFFFAOYSA-N 427.482 4.580 5 40 IJBB COc1cc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc(OC)c1OC 9431157 UTMWOFHEXIQKOG-UHFFFAOYSA-N 430.416 4.689 5 40 IJBB COc1ccc([C@@H](O)[C@H](C)NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 95976043 XETXBBKUSSLHJN-WNSKOXEYSA-N 426.444 4.747 5 40 IJBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 408714657 UFXBKDSWKJIPKW-UHFFFAOYSA-N 428.876 4.868 5 40 IJBB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl 3245275 CPMSGFOXPIRMHB-UHFFFAOYSA-N 438.823 4.668 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1nc(-c2ccc(Cl)cc2)no1 11278465 BQBXAJCCKRHBJY-UHFFFAOYSA-N 445.862 4.602 5 40 IJBB O=c1[nH]c(O)nc(/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1[N+](=O)[O-] 13943457 LDMFCUACZCHJEM-ZHACJKMWSA-N 449.850 4.940 5 40 IJBB C[C@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 3322806 UPROBGVUTAAOGS-INIZCTEOSA-N 441.443 4.994 5 40 IJBB COc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 2636385 XNJYNFOLUACWFG-QHCPKHFHSA-N 430.416 4.866 5 40 IJBB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9545940 UEBZZPOFXYLPBD-SNVBAGLBSA-N 427.404 4.691 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225024563 SKWUUEJJIFXNCQ-FCHUYYIVSA-N 433.537 4.696 5 40 IJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1cccc(F)c1 8792165 LLYCOGNZNXVQEQ-UHFFFAOYSA-N 437.430 4.749 5 40 IJBB biogenic Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060322 HMCNJUZWIOTTIO-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC(C)(C)C)cc1 13304881 VGRSGUHZFJTLGV-QNGOZBTKSA-N 447.491 4.849 5 40 IJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(SC)cc2)cc1 408574557 VEQISHKGTKTSRQ-LJQANCHMSA-N 430.555 4.806 5 40 IJBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 10059770 HEEGZWWWJXZAJE-FCHUYYIVSA-N 425.448 4.568 5 40 IJBB O=C(OCCOc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3499772 IALCDQXGJGPSLN-UHFFFAOYSA-N 425.824 4.715 5 40 IJBB Cn1c(CSCc2ccccc2Cl)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 12427820 NLULGAPWWSMOBR-UHFFFAOYSA-N 448.957 4.785 5 40 IJBB Cc1nn(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-] 13075888 NMKHBGHQHVCAKZ-HXUWFJFHSA-N 444.285 4.827 5 40 IJBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 15947186 JKWKHPJXWQBRNU-IWGLNFRWSA-N 442.566 4.693 5 40 IJBB Cc1cccc(CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1 214562465 LASITDQAGWGDAD-FYJGNVAPSA-N 433.489 4.990 5 40 IJBB CC(C)CCC[C@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26182155 DMNLGVSQFBTRBG-HNNXBMFYSA-N 430.471 4.660 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222634496 RPFGMBYKVVQZPW-ZEWGMFERSA-N 436.493 4.848 5 40 IJBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 408907206 MQJNLVKUBDKAQW-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 3300227 STOZYVJWUDRQHX-UHFFFAOYSA-N 425.824 4.867 5 40 IJBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc([N+](=O)[O-])c1 8691436 WLAPZCBPXKAQTR-UHFFFAOYSA-N 440.419 4.706 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 21005576 KKDCLGDPFWQVPJ-QHCPKHFHSA-N 440.459 4.934 5 40 IJBB O=C(O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 31715993 XNGAEWBIGCGDAO-RPWUZVMVSA-N 432.476 4.566 5 40 IJBB C[C@H]1CCC[C@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398837 UBIAEIPBMUHLGE-CEYNDMKZSA-N 427.548 4.951 5 40 IJBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 58059022 TXLFJKPQKLPZCE-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCCCN(CC)Cc1cccc(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1 79073932 DVNMLPAIIHZYGF-UHFFFAOYSA-N 445.585 4.877 5 40 IJBB O=C(Oc1ccc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 1313131 IAVXJWAAQVSQML-UHFFFAOYSA-N 442.767 4.595 5 40 IJBB CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)CNS(=O)(=O)c1ccc2ccccc2c1 9720912 GSUXEPBITOEHAI-UHFFFAOYSA-N 447.944 4.818 5 40 IJBB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 12924710 OZWVKXDRQOKBNC-NRFANRHFSA-N 427.913 4.896 5 40 IJBB CC(C)COC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 2249921 DNWJSJNDDRLNFN-UHFFFAOYSA-N 439.859 4.530 5 40 IJBB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 14269903 JSDNXFFALIPCDU-CQSZACIVSA-N 442.541 4.541 5 40 IJBB CC(C)c1ccc(NC(=O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 32910838 ZQDORGJQARTUNF-UHFFFAOYSA-N 433.464 4.988 5 40 IJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O 1040738 LJGCPQDGWLUHLN-UHFFFAOYSA-N 443.774 4.709 5 40 IJBB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2206275 WINBUAMCNNPMAD-UHFFFAOYSA-N 433.392 4.583 5 40 IJBB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 12514064 VEUFCEDDYPULJK-UHFFFAOYSA-N 435.402 4.671 5 40 IJBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1O 409339227 SYBDXTHELDHRQR-BAQGIRSFSA-N 434.235 4.852 5 40 IJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(I)cc([N+](=O)[O-])c1 4015645 JCCNSUVPGZIZGH-UHFFFAOYSA-N 437.020 4.759 5 40 IJBB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9166849 GUSINYJEBAONKL-LBPRGKRZSA-N 437.433 4.649 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3c(Cl)ccc4nsnc34)cc2[N+](=O)[O-])CC1 20100683 XWWMBIORLWRWJR-UHFFFAOYSA-N 431.905 4.742 5 40 IJBB CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 408818776 YWBAMBAEZVZBGM-SXGWCWSVSA-N 449.282 4.602 5 40 IJBB O=c1oc(-c2ccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)cc2)nc2ccccc12 2154277 ULUCNIPPGDMUTJ-UHFFFAOYSA-N 444.446 4.673 5 40 IJBB C[C@H](NC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 3268826 OKKRGRDFWQTWHQ-OALUTQOASA-N 443.503 4.733 5 40 IJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17097438 MBBWTMGRTFXCSQ-UHFFFAOYSA-N 431.404 4.611 5 40 IJBB C[C@H]1C[N@+](Cc2ccccc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 245229101 NECWCHVSDQSFPJ-IWKPIMAESA-N 432.584 4.918 5 40 IJBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 59179582 RASQBMVTRCSMFZ-UHFFFAOYSA-N 442.497 4.719 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 726722 MCNWONKSIUGNBT-XWYWGPMTSA-N 438.483 4.648 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 876217 OJZAZFQIPDCQEP-QGZVFWFLSA-N 430.917 4.978 5 40 IJBB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 9193134 VUSQWMQZORHHFC-FQEVSTJZSA-N 447.834 4.808 5 40 IJBB COc1ccccc1-n1cc(-c2ccc(Cl)cc2)nc1Sc1c([N+](=O)[O-])ncn1C 13138618 RAPFDLSPOIWVSV-UHFFFAOYSA-N 441.900 4.994 5 40 IJBB CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 57317037 CXWPPVBRRXRBGF-UHFFFAOYSA-N 445.269 4.946 5 40 IJBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(OC)cc(OC)c1 408823567 GBTJPARCOCBBRW-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2685930 DMKYKEANVNWMTC-NRFANRHFSA-N 439.830 4.571 5 40 IJBB CC(C)(C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9836873 PNRZYCIDKFQDGY-UHFFFAOYSA-N 445.324 4.712 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 59433409 ARNBKQMSGYPKIL-PGAZUGQPSA-N 438.483 4.864 5 40 IJBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 409132400 ZQRVJUICJPSLMP-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB O=C1N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409226362 NDFSADAHFDYPHR-DEDYPNTBSA-N 449.850 4.925 5 40 IJBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)o1 408634252 STXNWACQDWHQAU-NVNXTCNLSA-N 433.829 4.525 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408917953 DCNOCYLOZJPPCV-ZKKFKWFVSA-N 444.874 4.650 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 8454755 FDSJYPCCSNXYOF-UHFFFAOYSA-N 439.378 4.503 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(C)C 106728902 OLMAOLCLVRLTSY-JAIQZWGSSA-N 442.493 4.875 5 40 IJBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCCc1c[nH]c2ccccc12 12884674 GIOYKNPTIPKEMU-INIZCTEOSA-N 426.472 4.554 5 40 IJBB biogenic CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1c(C)nn(Cc2ccccc2)c1Cl 16694782 PJSOFOOIKMYYNQ-MDZDMXLPSA-N 426.860 4.544 5 40 IJBB Cc1c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 25836529 INSVYVZYWLBDKF-CYBMUJFWSA-N 443.301 4.685 5 40 IJBB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 101428521 IFQNBHBBOAETHC-STZFKDTASA-N 448.504 4.688 5 40 IJBB COc1ccc([C@@H]2CCCCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 1706543 MAFBUJOWFLDDIH-HKUYNNGSSA-N 429.469 4.894 5 40 IJBB COc1ccc(C)cc1-n1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 3492518 YVOWBNNRHILWBC-UHFFFAOYSA-N 433.489 4.903 5 40 IJBB CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 9373414 CTHPVCPIELOFSP-GQRCBVMOSA-N 446.459 4.930 5 40 IJBB CCOc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 9440031 IKXJNFHUBMMWGF-UHFFFAOYSA-N 434.857 4.657 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 8827454 WUTIHULTWBMPGK-MRXNPFEDSA-N 439.836 4.561 5 40 IJBB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20632455 WCSYTUOERBIVIB-KRWDZBQOSA-N 445.504 4.546 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 41091664 KKUKASSYVFXVAZ-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB COc1ccc(OC)c(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 8836486 YYFBTNQHWLKIHS-UHFFFAOYSA-N 427.420 4.561 5 40 IJBB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C2)cc1 9280851 IVZFLAYIPRSAIA-SFHVURJKSA-N 430.464 4.673 5 40 IJBB COC(=O)c1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 13749681 IRIFTAIIXPTRIT-JTHBVZDNSA-N 429.432 4.624 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14153640 OTQASPINPDOPFJ-JOCHJYFZSA-N 437.477 4.523 5 40 IJBB CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl 16609937 ICYAWSOTSWXYBA-UHFFFAOYSA-N 426.654 4.612 5 40 IJBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20281762 OZDXTCMMGYSYAZ-QHCPKHFHSA-N 440.459 4.977 5 40 IJBB CCOc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 95470819 YVDLISLUXBURMW-UHFFFAOYSA-N 441.237 4.710 5 40 IJBB O=[N+]([O-])c1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)o2)c1 865463 LMGYWIZFQBHTKR-UHFFFAOYSA-N 447.900 4.726 5 40 IJBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 1080666 DITAWUPVWLYWLX-JOCHJYFZSA-N 425.448 4.872 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 2462582 PCAIBVHXWRZHFH-MGNBDDOMSA-N 429.498 4.965 5 40 IJBB Cc1cc(C(=O)Oc2ccc([C@H]3NC(=O)c4c(sc(C)c4C)N3)cc2)ccc1[N+](=O)[O-] 8721971 QQYOVIMJNQNOTA-IBGZPJMESA-N 437.477 4.655 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O 9328339 CVOMRZIFLGJURD-GOSISDBHSA-N 433.445 4.524 5 40 IJBB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1cccc([N+](=O)[O-])c1 9373286 VLHZLWVRZZAOAN-WOJGMQOQSA-N 426.425 4.518 5 40 IJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2nc3ccc(F)cc3s2)CC1 15391673 KQRALAUXFVWDRL-UHFFFAOYSA-N 442.497 4.521 5 40 IJBB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17100207 LNNSLCPQWIHTLK-UHFFFAOYSA-N 436.493 4.582 5 40 IJBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc(C(F)(F)F)nn5C)nc34)c12 17103216 RZTYNFUASMVCDL-UHFFFAOYSA-N 439.373 4.553 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 408639108 FGZGGARDCLAVBY-QGZVFWFLSA-N 431.448 4.687 5 40 IJBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1C 408695902 UUIXBNGMCZJVTD-UHFFFAOYSA-N 431.427 4.851 5 40 IJBB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1cccc([N+](=O)[O-])c1 866331 DSJDMXWIGQCMNC-UHFFFAOYSA-N 449.326 4.738 5 40 IJBB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1171400 VDMYBDYIJYJULQ-GZTJUZNOSA-N 439.221 4.962 5 40 IJBB CCCCCn1c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc21 8740704 WRSAVSUWHWLHEM-CQSZACIVSA-N 425.445 4.534 5 40 IJBB COc1ccc(CNC(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)cc1 8877855 ZPAWCRLUVFDTHG-UHFFFAOYSA-N 433.467 4.531 5 40 IJBB biogenic O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721958 NGFRFSHYYAFCHH-UEQSERJNSA-N 442.471 4.988 5 40 IJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl 409177551 BZLUYGHHNLZCRX-HXUWFJFHSA-N 440.795 4.937 5 40 IJBB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10059806 SGZLPCHOFAAKHP-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])cc1OC(F)F 11075973 OLNZOVYQBBFXTC-UHFFFAOYSA-N 443.406 4.616 5 40 IJBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nn12 108059100 WTUPLVCVBGTXDV-UHFFFAOYSA-N 442.888 4.538 5 40 IJBB COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(C4CCCCC4)nc3oc2c1 2442301 QWHKBZXOMVDHDE-UHFFFAOYSA-N 430.504 4.802 5 40 IJBB CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)cs1 23545994 SYYROYBTDKPAEE-UHFFFAOYSA-N 437.886 4.808 5 40 IJBB COc1cc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])c(OC)c1OC 31798640 GMBFNRLJLYRUDF-IBGZPJMESA-N 428.485 4.672 5 40 IJBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3O)nc2c1 12856584 ABDCBMODMUEVIL-UHFFFAOYSA-N 433.420 4.932 5 40 IJBB COc1c(Cl)cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 16194499 HXWMUJOYBLVVFP-UHFFFAOYSA-N 444.702 4.526 5 40 IJBB Cc1c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cccc1[N+](=O)[O-] 33625646 GXLPXAUWWPUXFJ-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224178115 XVPUCQVBUICMDJ-GOTSBHOMSA-N 441.516 4.958 5 40 IJBB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9192279 FZNSJLNBEUMRPC-UHFFFAOYSA-N 434.452 4.683 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nccs1)C3=O 9328342 ISZYJXOVZBAYIE-GOSISDBHSA-N 433.445 4.524 5 40 IJBB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] 9847317 MJSBJNFOQNGWFH-UHFFFAOYSA-N 449.467 4.660 5 40 IJBB CC(C)(c1ccccc1)c1ccc(OCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59475105 VSPDKLJZWBSEEX-UHFFFAOYSA-N 433.460 4.726 5 40 IJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408603138 AXOJATAVCSPRQU-UHFFFAOYSA-N 440.368 4.824 5 40 IJBB O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccc([N+](=O)[O-])cc1)CCS2 2720096 UTVGKYUPMOFQCD-UHFFFAOYSA-N 431.926 4.735 5 40 IJBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Cl 3314864 WYKCNFXOKCPHCZ-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB Cc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 8837488 OARJVRPMJLHWKN-JOCHJYFZSA-N 430.420 4.803 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829715 WLLQVLIFJLIXMF-MDZDMXLPSA-N 434.452 4.985 5 40 IJBB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13576608 ZYEMZDIVVZOFEQ-INIZCTEOSA-N 441.480 4.559 5 40 IJBB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 13688804 LSAZBLYVTJYQFP-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 9642623 ROUQVTNZWFZXOS-NSHDSACASA-N 428.539 4.764 5 40 IJBB Cc1ccc(-c2noc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 408674797 HTUOAAJNWGBABA-UHFFFAOYSA-N 434.271 4.691 5 40 IJBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16323099 PXNNSAAMNOGGPS-UHFFFAOYSA-N 435.446 4.874 5 40 IJBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 3304281 FBMRNDMBXQOEKT-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 4156732 LJMLCNSNGMXFGG-UJKMTWAASA-N 430.847 4.645 5 40 IJBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 35103632 NFTYXUJDDDQFHH-XYOKQWHBSA-N 437.452 4.786 5 40 IJBB CC(=O)Oc1cn(-c2ccc(Br)cc2)c2nc(C)n3c4ccccc4nc3c12 8871218 NKSCIDQPFHQPIN-UHFFFAOYSA-N 435.281 4.823 5 40 IJBB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060319 HMCNJUZWIOTTIO-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB CCc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)CC2=O)cc1 13131631 GBLCFNBXBQCEDK-IBGZPJMESA-N 441.483 4.605 5 40 IJBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 36393989 PPQUKZFDUPGRJB-CYBMUJFWSA-N 428.876 4.596 5 40 IJBB O=C1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 36611223 CYZUYGNTKLBRLG-OALUTQOASA-N 442.899 4.801 5 40 IJBB Cc1ccc(C(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)cc1 58159432 CDLJWEJZTGOFMG-UHFFFAOYSA-N 438.512 4.588 5 40 IJBB Cc1nnc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408632106 XTDSVNHLVLZJPX-GRSHGNNSSA-N 436.449 4.507 5 40 IJBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 408646488 OVCXTXLVIIFWLK-UHFFFAOYSA-N 441.443 4.914 5 40 IJBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1909365 AMPIOFUSBWBRBL-UHFFFAOYSA-N 425.784 4.640 5 40 IJBB COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1[N+](=O)[O-] 8914025 SKABISMZFDMLFR-UHFFFAOYSA-N 436.468 4.629 5 40 IJBB O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3Cl)n2-c2ccccc2)nc1 12642461 TYZCRJRXANYBIJ-UHFFFAOYSA-N 439.884 4.954 5 40 IJBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(C)c2)cc1 408694721 MBGANCSVIHDLFI-UHFFFAOYSA-N 443.463 4.802 5 40 IJBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2058434 NCVVYQOJOXHWAZ-YVLHZVERSA-N 439.767 4.761 5 40 IJBB CC(C)NC(=O)NCc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1 9223465 AXQREWDSYMSWFZ-UHFFFAOYSA-N 427.504 4.953 5 40 IJBB Cc1cc2sc(NC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2cc1Cl 16284237 YDRYMWYLJZLGRA-AATRIKPKSA-N 432.914 4.693 5 40 IJBB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408644574 GTCLJJUOHLKKRJ-UHFFFAOYSA-N 445.406 4.745 5 40 IJBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccccc2)cc1 2247655 QIFLNTVMPNIQJD-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1 2585863 ODIITDVCGARGIW-QFIPXVFZSA-N 432.432 4.649 5 40 IJBB Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(Cl)cc2)cc1 8809389 YIDYLYJMXJEYCB-STZFKDTASA-N 435.867 4.966 5 40 IJBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc([N+](=O)[O-])c1 14409867 IDKZDWHMPPIGCL-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB Cc1csc(=O)n1CCCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 26369230 OUSAFKNTEYIAQZ-UHFFFAOYSA-N 430.533 4.900 5 40 IJBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c([N+](=O)[O-])ccc(C)c1C 17095699 JDMYFEDVYHHYBL-UHFFFAOYSA-N 428.297 4.654 5 40 IJBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC 225677076 WBHFZYGAICRPDU-UHFFFAOYSA-N 426.469 4.621 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C 107694700 ACZZXJFREHIWCZ-UHFFFAOYSA-N 440.437 4.507 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 408643227 QOSRZMIAJCZFDT-QGZVFWFLSA-N 431.448 4.687 5 40 IJBB COc1ccc(-c2nc(O)c3ccccc3n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409272430 YRYNHAJVURHNSJ-UHFFFAOYSA-N 434.364 4.620 5 40 IJBB Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1[N+](=O)[O-] 976126 CKRVCRJFCFXKHK-UHFFFAOYSA-N 449.492 4.782 5 40 IJBB CCOC(=O)c1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2209554 UJNGWICGANNQQF-UHFFFAOYSA-N 439.431 4.721 5 40 IJBB CC[C@@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n32)CO1 9346336 IFPNKPCBUDUBKC-NRFANRHFSA-N 436.566 4.520 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)cc1 40398807 MXRXJLMJNUWZHS-UHFFFAOYSA-N 429.520 4.664 5 40 IJBB COc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c(OC)c1 8760668 YLJPMYSLMNYXBM-UHFFFAOYSA-N 444.516 4.784 5 40 IJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)cc1 408544700 ISTKACHOQITSPL-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409173377 LMNSBPYWMDCSMC-UHFFFAOYSA-N 430.869 4.642 5 40 IJBB COc1cccc(-c2nc(O)c3ccccc3n2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409259513 ZZTGRQHAFJNXJQ-UHFFFAOYSA-N 434.364 4.620 5 40 IJBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 3191623 ZDRCZZMNUUCVJQ-UHFFFAOYSA-N 448.151 4.845 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9414251 XGWUURGADGPEPK-UHFFFAOYSA-N 446.375 4.754 5 40 IJBB Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C/[N+](=O)[O-])cc1 34869706 LZXJJSWJZMSGFH-VOTSOKGWSA-N 441.075 4.987 5 40 IJBB Cc1ccc(NN2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 95470755 UQCJSDMNWIPGBR-UHFFFAOYSA-N 440.253 4.750 5 40 IJBB C[C@@H](c1ccccc1)n1c(-c2ccccc2F)nc2c(c(=O)c3ccccc3n2C)c1=O 2338981 BNAQUVCHHUCGMD-INIZCTEOSA-N 425.463 4.664 5 40 IJBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)OCc1ccc([N+](=O)[O-])cc1 2649217 XXUVYAXQPMYTKE-JLHYYAGUSA-N 426.432 4.599 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 2749134 PIFOUEYTYFONCF-HSZRJFAPSA-N 442.431 4.772 5 40 IJBB CCOc1ccc2nc3sc(C(=O)Nc4ccc([N+](=O)[O-])cc4OC)c(N)c3cc2c1 6134268 LZTMZMYFVNKCPR-UHFFFAOYSA-N 438.465 4.600 5 40 IJBB CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 9328777 FLYHVWGVTGZRHM-IBGZPJMESA-N 439.541 4.626 5 40 IJBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1 12427693 ACKSVVAJCXISGF-UHFFFAOYSA-N 440.916 4.674 5 40 IJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)cc1I 17097189 BPQFMPFXXSVZLL-UHFFFAOYSA-N 430.629 4.722 5 40 IJBB COc1cc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OC 79189242 KZJXKUWRDTZGKO-UHFFFAOYSA-N 449.463 4.603 5 40 IJBB biogenic O=C(Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2)c1ccccc1[N+](=O)[O-] 2695296 VIZZVEKJIHHREW-UHFFFAOYSA-N 449.532 4.760 5 40 IJBB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9202140 RHKQZLQHOBGXBP-INIZCTEOSA-N 432.432 4.584 5 40 IJBB CCOc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9762161 FJNUAEZJRLHKHI-UHFFFAOYSA-N 434.901 4.637 5 40 IJBB CCOP(=O)(OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc(F)cc1 16753252 NJCIXWYYNOPSTI-UHFFFAOYSA-N 449.375 4.892 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 59132871 BVBLCUDLBTZKOP-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1 409244609 GEJYFBFCFWJFRT-WOJGMQOQSA-N 436.811 4.533 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 8853768 ORLTUQWIKCWLNO-ZKKFKWFVSA-N 444.874 4.819 5 40 IJBB CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc1-c1ccccc1 8872263 JIWZPVBKYMEVTB-UHFFFAOYSA-N 431.857 4.801 5 40 IJBB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 9639975 XZCOKWDYPNMQBX-UHFFFAOYSA-N 439.474 4.957 5 40 IJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 17137717 DAVBGIDBXXKOOJ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 9792838 QEMPXLLBEFYYLG-OAHLLOKOSA-N 449.463 4.635 5 40 IJBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10022030 MBSDNHLEUJTOKR-ZJUUUORDSA-N 445.686 4.978 5 40 IJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12797105 ASGBSGVSFRXMSE-ZDUSSCGKSA-N 438.484 4.892 5 40 IJBB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCNc1ccccc1[N+](=O)[O-] 40040422 ADFHYMOQVGFQFD-UHFFFAOYSA-N 443.891 4.537 5 40 IJBB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17100823 KRNZHUSEHISGNC-UHFFFAOYSA-N 436.896 4.504 5 40 IJBB CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 9529493 ISKJFHQBVNOOAF-UHFFFAOYSA-N 427.533 4.833 5 40 IJBB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] 408642997 QJJPQIRAGSWVBP-LLVKDONJSA-N 441.793 4.567 5 40 IJBB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408673788 VJFFRQMCNRQRLA-UHFFFAOYSA-N 443.459 4.773 5 40 IJBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17100215 ZLTVSJMWTFEREQ-UHFFFAOYSA-N 436.493 4.582 5 40 IJBB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 24883463 SZIBHRFGJFTFBZ-UHFFFAOYSA-N 434.477 4.969 5 40 IJBB C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 12285487 BKGQDHJNBGUGPK-FBLWNCGMSA-N 429.395 4.654 5 40 IJBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(Cc2cccc(F)c2)n1 12428776 QVBISKAPTMGDMP-UHFFFAOYSA-N 433.321 4.715 5 40 IJBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N(C)C2=S)cc1 16691684 BTMLMCBDNNXPRP-ZHZULCJRSA-N 449.488 4.858 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 18255587 LJMLCNSNGMXFGG-JQBYJRRVSA-N 430.847 4.645 5 40 IJBB CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1 20176152 FJLXLISIYLCCFQ-UHFFFAOYSA-N 433.511 4.733 5 40 IJBB Cc1ccc(-n2nc(C)c(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])c2C)cc1Cl 40133371 VHJZHKNALJHLIE-UHFFFAOYSA-N 426.904 4.560 5 40 IJBB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 9545983 XKIZZTAUVDNCET-JTQLQIEISA-N 442.415 4.595 5 40 IJBB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)nc2c1c(=O)oc1ccccc12 11726697 NSZZGOPYRCKFDB-UHFFFAOYSA-N 429.259 4.974 5 40 IJBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 17095680 ZIOXSGCJZOGRTA-UHFFFAOYSA-N 428.235 4.888 5 40 IJBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 408714922 YOUSZLAQKINMBI-UHFFFAOYSA-N 428.876 4.868 5 40 IJBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2300216 QDKWDFLNURHBNQ-UHFFFAOYSA-N 447.926 4.536 5 40 IJBB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)s1 39755725 IVGCTHZUARRLAZ-UHFFFAOYSA-N 449.448 4.519 5 40 IJBB Cc1cccc(C)c1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F 830299 RMNZQNKNANKIHQ-QFIPXVFZSA-N 435.455 4.803 5 40 IJBB CCCCCCOC(=O)c1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 8397167 IEYJQEQLVBVCAQ-UHFFFAOYSA-N 431.401 4.682 5 40 IJBB O=C(Cc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 14668275 FNADRUHLQHFNKD-UHFFFAOYSA-N 446.484 4.762 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 15882475 HHORFFOHDHFQPU-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc2c(c1)OCO2 408838148 CKCABXUREXZWJO-LFYBBSHMSA-N 428.809 4.536 5 40 IJBB CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409348000 PORUYDOTVIKIBS-JAIQZWGSSA-N 440.477 4.549 5 40 IJBB O=C(Nc1ccc(O)c(-c2nc3ncccc3o2)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 8990526 CFXZSITXOWMZEB-UHFFFAOYSA-N 444.447 4.954 5 40 IJBB Cn1nccc1-c1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643847 CMAHOVIAGGRRSM-UHFFFAOYSA-N 433.447 4.892 5 40 IJBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 214956288 AMQPTYYJKOZILU-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB Cc1nn(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 32931664 SUUOWIOVUMMHBZ-UHFFFAOYSA-N 436.255 4.541 5 40 IJBB Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 408644557 GUTMPMRXEQMFPR-UHFFFAOYSA-N 441.267 4.551 5 40 IJBB O=C(Oc1ccc(Br)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 13134069 PZZACQTWDSPTSH-UHFFFAOYSA-N 425.666 4.830 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 8853773 ORLTUQWIKCWLNO-NFJKTXFASA-N 444.874 4.819 5 40 IJBB O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 860549 PVDTVXJICSQSEU-UHFFFAOYSA-N 448.262 4.776 5 40 IJBB COc1cc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c(Cl)cc1NC(=O)c1ccccc1 2738567 OTOQEGSEVSBPTR-UHFFFAOYSA-N 443.818 4.901 5 40 IJBB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 3260589 FOLNNGKHCBZKGH-UHFFFAOYSA-N 437.506 4.635 5 40 IJBB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060274 RDNAJHPRTMPXRM-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB Cn1ccnc1[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccc(F)c1 12601674 MFFYQUPRNWJZRX-JOCHJYFZSA-N 445.454 4.730 5 40 IJBB O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 408585921 KEHPFVGVRGRVDO-UHFFFAOYSA-N 425.824 4.867 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409350512 RZQJWEYECKFFNH-FRIZHTMISA-N 427.423 4.510 5 40 IJBB COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4C)n3)cc2)cc1 2930878 XHCJZEKPOQQJNQ-UHFFFAOYSA-N 444.447 4.810 5 40 IJBB O=C(O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccc1 8425335 SBHQXLAOGANXOY-MKMNVTDBSA-N 433.332 4.679 5 40 IJBB Cc1nc2ccccc2c2c(NC(=O)CCn3cnc4ccccc4c3=O)c3ccccc3n12 14682944 ASYMEPIJICXDMA-UHFFFAOYSA-N 447.498 4.688 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1 19929295 VLAKWONAWPHSPS-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610037 VBGJVZWRGJXKDP-QDEBKDIKSA-N 449.854 4.643 5 40 IJBB CCOC(=O)c1ccc(COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1 408605245 LGWIICAHCMFSDK-XYOKQWHBSA-N 438.436 4.826 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1Cl 2421223 BLUFVYRKGCNIFB-UHFFFAOYSA-N 447.926 4.672 5 40 IJBB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 2738723 HQKKPGUGTYHTHC-OIOXUXFSSA-N 428.510 5.000 5 40 IJBB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840664 TZOZMLHDKQFXAC-MRXNPFEDSA-N 425.485 4.504 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 8871130 VRMZZGDJPQMZEX-UHFFFAOYSA-N 441.535 4.635 5 40 IJBB CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(C)cc(C)c2s1 12140899 WEHUPFVAOGUCPT-UHFFFAOYSA-N 426.542 4.810 5 40 IJBB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142574 MWWLWEJLFDOTSY-UHFFFAOYSA-N 438.267 4.842 5 40 IJBB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)n1 20293636 NRSABUPSRDIODN-UHFFFAOYSA-N 435.465 4.826 5 40 IJBB Cc1cccc(C)c1Nc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 2653547 DUUOHYWZWSRPCO-UHFFFAOYSA-N 430.511 4.966 5 40 IJBB aggregator COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(C)nc2sc3c(c12)CCC3 3563281 AAHKBXYOSVIZIJ-SNVBAGLBSA-N 444.538 4.525 5 40 IJBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17095007 QIEQKTGRDKAVLC-OAHLLOKOSA-N 426.542 4.835 5 40 IJBB O=[N+]([O-])c1cc(Cl)c(CCN2CCN(c3nsc4ccccc34)CC2)cc1Cl 22008785 LDGIOUORLDAFOV-UHFFFAOYSA-N 437.352 4.876 5 40 IJBB in-vitro Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2)n1 69949645 WUSKNPVQWBIBFA-UHFFFAOYSA-N 435.509 4.979 5 40 IJBB Cc1c(C(=O)NC(=O)Nc2ccccc2C(F)(F)F)c(Cl)nc(Cl)c1[N+](=O)[O-] 970396 TZZAGJOSFVWYOC-UHFFFAOYSA-N 437.161 4.586 5 40 IJBB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1Cl 8774509 NFOIXBJKGZKKCD-UHFFFAOYSA-N 441.852 4.570 5 40 IJBB aggregator O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 13114523 YBIVZSKYGQVYQH-UHFFFAOYSA-N 435.911 4.729 5 40 IJBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 57333407 GSJRHLHBXHUFJU-UHFFFAOYSA-N 440.415 4.988 5 40 IJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2301548 CRIGDBXKFRTTTQ-UHFFFAOYSA-N 441.535 4.714 5 40 IJBB O=[N+]([O-])c1ccc(N2N=N[C@H](c3ccccc3)[C@]2(c2ccccc2)N2CCOCC2)cc1 4972183 ONWMVGCMRGVUNF-DNQXCXABSA-N 429.480 4.709 5 40 IJBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9019333 MRPAJQGRCHYRHK-SFHVURJKSA-N 440.799 4.741 5 40 IJBB O=[N+]([O-])c1ccc2nc(SCc3nnc(-c4ccc(Br)cc4)o3)[nH]c2c1 9849663 AENGJJMARBOUFU-UHFFFAOYSA-N 432.259 4.576 5 40 IJBB COc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 17129525 IFSMIWXWYIUMFJ-UHFFFAOYSA-N 442.855 4.988 5 40 IJBB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20609958 ZBFVWZGBTIWXMN-VZUCSPMQSA-N 433.855 4.942 5 40 IJBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)ccc1OCC(=O)O 96114373 DOUDWYAREOXQQF-UHFFFAOYSA-N 447.447 4.756 5 40 IJBB biogenic C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)OCCO2 222657014 CAYAZZPJTOYMRA-HRKXOBMBSA-N 430.460 4.784 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224178341 QKIZRYZJLPMTLM-GOTSBHOMSA-N 441.516 4.958 5 40 IJBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2251860 IZSJEDCOSOFCRD-UHFFFAOYSA-N 441.535 4.510 5 40 IJBB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 16229917 DSNSEXWAVSAELQ-UHFFFAOYSA-N 446.385 4.546 5 40 IJBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 18532360 ZMJDZDMIRIVWEQ-VIFPVBQESA-N 439.280 4.826 5 40 IJBB CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccs1 2662571 BBNRFZJQYHUXAU-JTQLQIEISA-N 437.934 4.707 5 40 IJBB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 20436451 CSSOQZYJWQRPTP-UHFFFAOYSA-N 433.936 4.723 5 40 IJBB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 32902836 YKRCYSZPDRUJTD-UHFFFAOYSA-N 427.464 4.513 5 40 IJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225589094 CXSBHRRNSZVOHU-JXFKEZNVSA-N 445.947 4.513 5 40 IJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC 225676899 HSIKLFCMDDKVPV-UHFFFAOYSA-N 426.469 4.621 5 40 IJBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 408567102 GLOZPSODHCGESE-LJQANCHMSA-N 448.932 4.747 5 40 IJBB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316891 KCTABRDFIMDSBW-UHFFFAOYSA-N 434.839 4.566 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 218413388 JWHMVRBPEKPHEY-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 224526761 ZVRWMTRGORTGIK-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 408694334 JDEDGMOTTISSPB-UHFFFAOYSA-N 449.854 4.757 5 40 IJBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 409176151 IWCONSZRUANFBS-UHFFFAOYSA-N 429.432 4.813 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 20759850 QQGBYTFWTRHTON-UHFFFAOYSA-N 439.280 4.991 5 40 IJBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCOc1ccccc1 106754847 LQMYTFVRHLTKNF-ZHZULCJRSA-N 436.445 4.970 5 40 IJBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc1C2 409057694 QIKRRLSQLGUILC-UHFFFAOYSA-N 446.282 4.646 5 40 IJBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 409200080 GJYAYVWLQAECOM-SGPNVBEDSA-N 444.465 4.541 5 40 IJBB CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccs1 9539591 INNYEQIEVFZGSS-SNVBAGLBSA-N 437.934 4.707 5 40 IJBB COc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 11758404 FPERDUCYECPLRN-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 32124596 QKTIECIHPKZIIA-MHWRWJLKSA-N 436.898 4.574 5 40 IJBB Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1Cl 408685671 PURYZFSPCUVVGS-UHFFFAOYSA-N 446.290 4.981 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 867614 QZCAQQMRIOXVFL-OAHLLOKOSA-N 449.492 4.863 5 40 IJBB CCCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OCC 1742089 SQULUOTYEDHRRU-YBEGLDIGSA-N 430.844 4.780 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])c1 17102178 VAEOJEQRLHSMBY-DDBVPJQNSA-N 438.483 4.648 5 40 IJBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c2ccccc12 226767862 QHJDZQIWFZXQKP-UHFFFAOYSA-N 434.404 4.602 5 40 IJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 14128674 CVLRVJKOAOJCNU-SFHVURJKSA-N 434.492 4.787 5 40 IJBB COc1ccc([C@H](CC(=O)c2ccc(F)cc2)Cc2onc(C)c2[N+](=O)[O-])cc1OC 19872731 IWFUIFPWIGJWNQ-MRXNPFEDSA-N 428.416 4.647 5 40 IJBB COc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 28604554 VFRZVGIGRWHEFB-UHFFFAOYSA-N 438.280 4.902 5 40 IJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718454 ZVJTWYXYGJFHIS-VIFPVBQESA-N 428.659 4.547 5 40 IJBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 106706951 KHOMXLVBGVGMJY-SXGWCWSVSA-N 433.283 4.902 5 40 IJBB O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1313321 COJLKZRKTMOPEP-UHFFFAOYSA-N 442.767 4.595 5 40 IJBB COc1ccc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)cc1 11758406 WOMVCWCFQKQEAY-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 15947184 JKWKHPJXWQBRNU-GZDOSPBESA-N 442.566 4.693 5 40 IJBB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17095012 HHIWABJYCCEYIY-UHFFFAOYSA-N 426.542 4.583 5 40 IJBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1C 409362731 SLULIINWDVTBPG-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB O=[N+]([O-])c1ccc(/C=C\[C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 15947378 KBNAAPDHVVBNHO-ZRKSWWEUSA-N 446.532 4.984 5 40 IJBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(OC)ccc1OC 408836612 SYFLFJJOMZSVBT-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 13149713 CJROGIVEHUGHDS-UHFFFAOYSA-N 437.279 4.895 5 40 IJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c(C)c1 409177089 AFSWTCVDEACIPE-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB Cc1csc(Sc2ccc(C(=O)N(C)c3nc4ccccc4o3)cc2[N+](=O)[O-])n1 514982489 SMFQJPRYPIQCRK-UHFFFAOYSA-N 426.479 4.929 5 40 IJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2)cc1 17098861 HBDUAWNORRHMAQ-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccccc2Cl)cc1OC 9906265 RUHFMVYFINTEAV-UHFFFAOYSA-N 440.839 4.749 5 40 IJBB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408640008 HVWAQBASGNEGSK-KRWDZBQOSA-N 431.448 4.687 5 40 IJBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 1839152 MWKRJBCAWLSLQC-UHFFFAOYSA-N 438.417 4.694 5 40 IJBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2414231 JBPKCFDACOLRPP-UHFFFAOYSA-N 431.540 4.612 5 40 IJBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1 6510977 KVJWUDQCWVYRCA-UHFFFAOYSA-N 444.447 4.881 5 40 IJBB O=C(Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9328370 ASUXYFYOUQXHAD-UHFFFAOYSA-N 430.372 4.553 5 40 IJBB C[C@H]1C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 36631457 NECWCHVSDQSFPJ-WCYRKSIYSA-N 432.584 4.918 5 40 IJBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 248133998 BYUOUEPAUVDNDL-UHFFFAOYSA-N 432.432 4.504 5 40 IJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408554387 COJBVWZQCHGHBI-UHFFFAOYSA-N 440.368 4.824 5 40 IJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 2736326 ZILRMSQYTRQLRK-LLVKDONJSA-N 447.469 4.508 5 40 IJBB O=C(Nc1cccc(Cl)c1N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9422073 DYPSLNZNBXSIGR-UHFFFAOYSA-N 429.904 4.535 5 40 IJBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 10022026 MBSDNHLEUJTOKR-UWVGGRQHSA-N 445.686 4.978 5 40 IJBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1cccc2ccccc12 12689228 VBPRTFJSPMYLNX-UHFFFAOYSA-N 433.464 4.534 5 40 IJBB CCC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2)cc1 13113206 IUGFYEMGQUWGIA-UHFFFAOYSA-N 434.448 4.881 5 40 IJBB O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991525 JHXSGMSDKIJTRX-UHFFFAOYSA-N 441.531 4.560 5 40 IJBB COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409142385 LBPMFWZVATZJMK-GIDUJCDVSA-N 443.264 4.844 5 40 IJBB O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(F)c(Cl)c1 9869840 JJSHJZSFSNSEAZ-UHFFFAOYSA-N 443.818 4.657 5 40 IJBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3c(C)cccc3c2=O)cc1 101389640 MBJHVOPQFVRHKR-UHFFFAOYSA-N 430.416 4.938 5 40 IJBB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C)nc4[N+](=O)[O-])cc3)sc2c1 9630684 UJQMUUDRPCFOPR-UHFFFAOYSA-N 434.477 4.901 5 40 IJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccn1)c1ccc(F)cc1 48300032 MHUUPJCKAMVONN-UHFFFAOYSA-N 434.471 4.579 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4)cnc32)cc1 2328146 JCJKABJTUFGGOE-UHFFFAOYSA-N 433.471 4.672 5 40 IJBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9829681 NWPAJXPGZKFRJS-YHYXMXQVSA-N 434.452 4.985 5 40 IJBB Cc1c(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cccc1[N+](=O)[O-] 11087290 CJYZOGFVAICQKE-UHFFFAOYSA-N 426.476 4.745 5 40 IJBB Cc1cc(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c2ccccc2c1 20356944 KSYNRDYOFXFELM-UHFFFAOYSA-N 444.535 4.619 5 40 IJBB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 5070678 TZSILJTZDGVKQM-SFHVURJKSA-N 425.481 4.853 5 40 IJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccnc1Cl 9690960 OIBWIYXGTTYJDX-UHFFFAOYSA-N 431.857 4.801 5 40 IJBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2Br)c1 27260850 FSEKSOFSEXROKB-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB CCCN(C(=O)c1ccc(OCC)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 58202973 YYSPCMHNBUZEJX-NRFANRHFSA-N 425.529 4.510 5 40 IJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)nc1 9690958 CKACTALVDIEJPC-UHFFFAOYSA-N 431.857 4.801 5 40 IJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1ccccc1OC 12595718 UPHXBHPWCDAILT-UHFFFAOYSA-N 440.477 4.690 5 40 IJBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20145115 JFUWRXQMHCCZNC-YCRREMRBSA-N 428.828 4.661 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 33698575 MIJMIPPHMREABD-YCIYHOANSA-N 444.874 4.819 5 40 IJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 408558579 RUCPDWNSIUAEFX-UHFFFAOYSA-N 441.871 4.886 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1Cl 409165210 UVJQLJIZXFCGIL-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1 409408777 LOLRARSKQOTZKY-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 957911 SSGDGIULPPKILM-VZUCSPMQSA-N 425.466 4.778 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 9272079 VMSRLIDHSOLOIQ-UKTHLTGXSA-N 428.404 4.681 5 40 IJBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N(CCO)c1ccccc1 33584181 ZTWZDGVACAHGGE-UHFFFAOYSA-N 445.482 4.519 5 40 IJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 2736325 ZILRMSQYTRQLRK-NSHDSACASA-N 447.469 4.508 5 40 IJBB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9646142 QLPRTRLHWONFLB-SNVBAGLBSA-N 433.490 4.508 5 40 IJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccccc3c2=O)cc1OC 101192123 ZZJQXHFPIGSJLK-UHFFFAOYSA-N 446.415 4.638 5 40 IJBB Cn1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 225022181 SDIVAUZRRJYNST-CPNJWEJPSA-N 431.473 4.688 5 40 IJBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC)c(OC)c1 408821229 FAAXCYPNJUBVHJ-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409267187 TVECZUMEOKYCSG-UHFFFAOYSA-N 431.404 4.529 5 40 IJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 9349223 VAEUPOPJMFVROU-OAHLLOKOSA-N 438.145 4.711 5 40 IJBB CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087368 ZRMBCYHQQSZGIG-UHFFFAOYSA-N 430.917 4.718 5 40 IJBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409228167 VBUYRBPDFKRTHF-CAOOACKPSA-N 434.857 4.502 5 40 IJBB CCc1nc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)nn1-c1ccccc1 1533839538 RFBUTIHUJZTYNR-UHFFFAOYSA-N 444.447 4.887 5 40 IJBB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cc(Cl)ccc1[N+](=O)[O-] 9569227 KUVVOVDLWGOGRS-UHFFFAOYSA-N 425.828 4.687 5 40 IJBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 10059777 KWYNUJKVCACJPF-VXKWHMMOSA-N 425.448 4.568 5 40 IJBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 409362808 SEPPIGYOONDKCH-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2308622 VVYCALPYKPSIRX-UHFFFAOYSA-N 441.535 4.850 5 40 IJBB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12886362 GUOCCTXMXZMYQN-CYBMUJFWSA-N 431.832 4.598 5 40 IJBB COCCN(C(=O)Cc1c(F)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 12926624 HUFRDXMZCQNECN-UHFFFAOYSA-N 449.891 4.733 5 40 IJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 58244723 ZMUFHSVNPZKGSF-INIZCTEOSA-N 441.509 4.689 5 40 IJBB C[N+]1(Cc2ccccc2)[C@H]2CC[C@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 100473200 AJFNVRJEGNVVOP-DXTHIQLUSA-N 442.579 4.806 5 40 IJBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1c(Cl)cccc1C(F)(F)F 9982442 ANPRPWCSGUCIOD-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 13596664 WKTNPCHCBFFSSZ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB CC(=O)c1ccc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 15170291 LCHGJXZLYUANMD-UHFFFAOYSA-N 429.782 4.545 5 40 IJBB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 28626333 XNJUULWPAGPDPN-UHFFFAOYSA-N 447.443 4.666 5 40 IJBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 9545211 JNKZMKGFHHHEFE-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOC(=O)[C@H](C(C)=O)C(c1c2ccccc2cc2ccccc12)[C@H](C(C)=O)C(=O)OCC 16682142 ZAWXSOPDZSJZFM-HCGNOCCLSA-N 448.515 4.613 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 24752626 JEHVGQKUIVOONG-UHFFFAOYSA-N 433.464 4.784 5 40 IJBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1[N+](=O)[O-] 408678772 DAJXHKMVUOPWJO-HNNXBMFYSA-N 429.432 4.794 5 40 IJBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 409184278 VUSGLNPYSQEPER-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 12442108 NWFDWUIQOSDSEG-UHFFFAOYSA-N 449.492 4.782 5 40 IJBB CC[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 72318845 VFMGCPHWNHNGQA-SFHVURJKSA-N 434.500 4.537 5 40 IJBB O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 12696970 USODDXWYPKTYGC-UHFFFAOYSA-N 440.230 4.838 5 40 IJBB O=C(Nc1ccccc1C(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1Cl 23008960 CSSBASIKTJPRDY-UHFFFAOYSA-N 441.896 4.761 5 40 IJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N1CCCC1 44087606 ZHTHNUCJBSJRPO-UHFFFAOYSA-N 442.928 4.815 5 40 IJBB CCc1cc(N[C@@H](C)c2nc(-c3ccccc3OC)no2)nc(-c2ccc([N+](=O)[O-])cc2)n1 72307643 MAVQKIURHKKOAU-AWEZNQCLSA-N 446.467 4.846 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 408930793 CCZIWYMOOOYXTO-ODLFYWEKSA-N 437.839 4.910 5 40 IJBB CC(C)(C)OC(=O)NCCCC(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13577178 DUTFTKNXNKWFOZ-UHFFFAOYSA-N 447.871 4.516 5 40 IJBB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 13597853 MXXRKQDEOQCTDQ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl 17095698 XOXRNQFKEIMEQN-UHFFFAOYSA-N 428.297 4.736 5 40 IJBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2ccccc2o1 409335664 YFFYKHVYRJAQRR-UHFFFAOYSA-N 443.872 4.521 5 40 IJBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C 8739478 LLPRNTUQPSAOEZ-UHFFFAOYSA-N 449.492 4.699 5 40 IJBB Cc1ccc(C)c(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2(=O)=O)c1 10272573 BAPSJIGJUYCOIN-UHFFFAOYSA-N 437.477 4.547 5 40 IJBB COc1ccc(CN(C)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 44845386 ZGRLPVFVHYJVEL-PXLXIMEGSA-N 432.476 4.811 5 40 IJBB C[C@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@H]3[C@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12 146853506 JNMZYVOWRZCJKC-YSCRHRQFSA-N 446.503 4.531 5 40 IJBB in-vitro Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 32926279 MDSJZESGMFQYMZ-UHFFFAOYSA-N 440.481 4.656 5 40 IJBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 409341705 FNMNMRCCXOTOEN-MFOYZWKCSA-N 445.884 4.540 5 40 IJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2398127 OACXXNWKHYRTAZ-UHFFFAOYSA-N 433.899 4.664 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 9064588 MLGINGGBRUBLHQ-UHFFFAOYSA-N 444.310 4.946 5 40 IJBB O=C(NCc1cccc(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12517165 VYZAEWXSTAMIJB-UHFFFAOYSA-N 441.837 4.800 5 40 IJBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225616939 KWZIYTVFGMPJIE-UZLBHIALSA-N 445.947 4.513 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 9281710 IZMSJMCKUOEWOU-CQSZACIVSA-N 443.507 4.580 5 40 IJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 13525083 ZLZJJNHSMGDKQE-UHFFFAOYSA-N 444.443 4.812 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2ccccc2o1 409327524 KOXREDCUEAORCP-UHFFFAOYSA-N 437.481 4.659 5 40 IJBB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 9191354 PERUXSDHMFOOKS-UHFFFAOYSA-N 440.264 4.935 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCc1cccs1)c1ccccc1 15982061 KAERQQOQTZLGFA-SFHVURJKSA-N 446.326 4.888 5 40 IJBB COc1cc(CN2COc3cc(C)c4c(oc(=O)c5ccccc54)c3C2)cc(OC)c1OC 55393861 HWTVGFBKZDGMEL-UHFFFAOYSA-N 447.487 4.633 5 40 IJBB biogenic Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1 408688121 VTCNGRXCOIPIKI-QFIPXVFZSA-N 427.453 4.830 5 40 IJBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(Cl)cc1 409330687 LZWMTEVHYBIODA-POHAHGRESA-N 443.843 4.598 5 40 IJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c(C)c1 409411710 KGSOQEWCWSIRPL-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 36611226 CYZUYGNTKLBRLG-RTBURBONSA-N 442.899 4.801 5 40 IJBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 216032090 YKWRKGOZHGYJKD-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB CCc1nc(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633484 YYMLUZBSEYVBQM-GZTJUZNOSA-N 442.522 4.953 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C3=O 9210251 BNJZYALQSXHWTG-NRFANRHFSA-N 430.416 4.656 5 40 IJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 15978486 AROOVHOZXCWHDT-ZDLGFXPLSA-N 449.350 4.779 5 40 IJBB CCOC(=O)C1CCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 34882457 MHLHVIFNZWVYNQ-UHFFFAOYSA-N 434.521 4.805 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 9109413 LDCZFVJSWIPHJA-JOCHJYFZSA-N 441.443 4.771 5 40 IJBB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 17095010 FFCCZYCYKIKXQS-UHFFFAOYSA-N 426.542 4.835 5 40 IJBB Cn1c(-c2ccccc2)nn(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1=S 62581123 BCAKPODEEXJRKA-UHFFFAOYSA-N 437.447 4.548 5 40 IJBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl 408568685 IHPFBMRDOWDEHK-LJQANCHMSA-N 432.933 4.965 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2401009 DXJCWKNWXNJBCF-UHFFFAOYSA-N 447.926 4.672 5 40 IJBB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10904434 AONAAOOCNIOWIM-UHFFFAOYSA-N 433.873 4.736 5 40 IJBB CN(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)S(=O)(=O)c1ccc2ccccc2c1 23607397 PVLRVDZFIIWHAU-UHFFFAOYSA-N 435.461 4.760 5 40 IJBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 10059772 KEBZSSMKBBSQKI-FGZHOGPDSA-N 425.448 4.568 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C)cc1 14082309 SYFLSQUMDUWDHO-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB Cc1c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cccc1[N+](=O)[O-] 9064589 XHTGYUOBSXIMPF-UHFFFAOYSA-N 444.310 4.946 5 40 IJBB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 9076022 HPDBDVIDVMHWJR-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c([N+](=O)[O-])c1 9716341 OTSBPQBICNUVBU-UHFFFAOYSA-N 431.404 4.507 5 40 IJBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 20197023 ZFXBBWUPQLWGNZ-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 32976537 JXBJIDFCMYJKTE-UHFFFAOYSA-N 440.765 4.627 5 40 IJBB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] 408642998 QJJPQIRAGSWVBP-NSHDSACASA-N 441.793 4.567 5 40 IJBB O=C1N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409104896 KTRXTENXYYRYOZ-YBFXNURJSA-N 449.850 4.925 5 40 IJBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1 409412743 ZZCKYOKKPUFOAF-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2C)cc1 10370001 BSXBEXVJIUPTBU-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)n2)cc1 13097564 RUQVUTYIPFIGFY-UHFFFAOYSA-N 428.448 4.773 5 40 IJBB Cn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 13098744 IXHOQTCAEUEABC-UHFFFAOYSA-N 443.504 4.558 5 40 IJBB COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14271953 JMJCJODZDZCBQU-UHFFFAOYSA-N 444.702 4.526 5 40 IJBB COc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC 19323731 ZYCWFMCKPTUPRN-UHFFFAOYSA-N 433.508 4.629 5 40 IJBB CCn1c(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408630802 BFPQCJBJZPWLAJ-WJDWOHSUSA-N 430.873 4.744 5 40 IJBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2423460 CTPYKYDRKAVAPT-UHFFFAOYSA-N 441.535 4.706 5 40 IJBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])s1 3187612 CJZQOLMGLMSLAB-UHFFFAOYSA-N 431.267 4.902 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223358911 WVMNISBNGSAAAV-YADHBBJMSA-N 445.504 4.546 5 40 IJBB CNC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCCCC2 12064323 FLYACSCSDIXJQB-UHFFFAOYSA-N 446.528 4.889 5 40 IJBB Cc1ccc2nc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)[nH]c2c1 12531666 BAYNTROBTDYKGJ-UHFFFAOYSA-N 425.495 4.634 5 40 IJBB Cc1cc(C)c(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c([N+](=O)[O-])c1 666755 XPBJVPGCTLDPSZ-UHFFFAOYSA-N 432.436 4.741 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cn2cc(Br)cn2)cc1 8444805 DZLWUMPIXKQDOB-UHFFFAOYSA-N 435.665 4.508 5 40 IJBB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9046882 SBXUCIUHBBPSOI-XUZZJYLKSA-N 431.448 4.854 5 40 IJBB COc1ccc(NS(=O)(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 13523528 JCZSRWOVCHDIGE-UHFFFAOYSA-N 434.470 4.695 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCCCC1 16450408 GAIALXRCSHQASU-PKNBQFBNSA-N 444.944 4.765 5 40 IJBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)c1ccc(Cl)cc1 409345138 KPRNZELXEQZADN-PXNMLYILSA-N 437.260 4.821 5 40 IJBB O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 1456177 PGLSTQIQBPCHRJ-QGJHECOESA-N 429.540 4.888 5 40 IJBB CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16777594 MQBPEZUERFWNBF-UHFFFAOYSA-N 449.492 4.719 5 40 IJBB O=c1c2cc3c(=O)n(Cc4ccccc4Cl)ccc3nc2ccn1CCc1ccccc1 40398843 PKEMUOLMEXDGBO-UHFFFAOYSA-N 441.918 4.656 5 40 IJBB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316893 NEOCWRWYFBVWEI-UHFFFAOYSA-N 434.839 4.566 5 40 IJBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1N1CCCCC1 12555016 DMQZNHOMTJHKKR-INIZCTEOSA-N 430.936 4.698 5 40 IJBB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc([N+](=O)[O-])c1O 35415591 OCNKLNATCZKFGP-BLVKFPJESA-N 445.541 4.766 5 40 IJBB COc1ccc(Cn2c(-c3cccs3)nc3sc4ccccc4c(=O)c3c2=O)cc1 2364049 WTQRSKHBUGTJDQ-UHFFFAOYSA-N 432.526 4.757 5 40 IJBB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 408649058 ZHWSXSUTCMVGHP-GOSISDBHSA-N 445.475 4.996 5 40 IJBB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] 2685922 WGLVCXLGPACDPA-JOCHJYFZSA-N 435.867 4.741 5 40 IJBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 4156727 LJMLCNSNGMXFGG-LIKPIUCQSA-N 430.847 4.645 5 40 IJBB O=[N+]([O-])c1ccc(NCCCCNc2ccc([N+](=O)[O-])c3cccnc23)c2ncccc12 6445434 FLKRMVNEPHRNFJ-UHFFFAOYSA-N 432.440 4.904 5 40 IJBB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccc1 8425341 QZEOTAXTMIWQSQ-VIZOYTHASA-N 447.359 4.767 5 40 IJBB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316916 NSAHRSRRNFODOB-UHFFFAOYSA-N 434.839 4.566 5 40 IJBB Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc2cc(Cl)ccc2o1 9328588 MWNLQMUEVLFWQR-UHFFFAOYSA-N 443.872 4.521 5 40 IJBB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060325 SLGNPWHSIIKNRG-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(OC)cc1 409194886 DWCPPEDMTTWRTO-XDOYNYLZSA-N 431.901 4.627 5 40 IJBB C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 3333558 OTWDEBARVZGBIF-ONDHQXCVSA-N 440.452 4.906 5 40 IJBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 12622246 AHWKSZKLXGBSFY-JOCHJYFZSA-N 428.448 4.528 5 40 IJBB Cc1ccc(S[C@]2(CN3CCCCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1 16310859 LEJWKCQVRFPBQJ-HSZRJFAPSA-N 426.538 4.804 5 40 IJBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 19684372 MZPZOITYKWMECB-HNNXBMFYSA-N 437.930 4.692 5 40 IJBB O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CCCC2)cc1 226072147 TYRBZMYNIYMAED-RUZDIDTESA-N 433.528 4.812 5 40 IJBB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 1518711 INLWCEWJDJBODS-UHFFFAOYSA-N 427.825 4.730 5 40 IJBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(C(F)(F)F)cc1 13028216 IUEIARZJQXMHDU-UHFFFAOYSA-N 439.393 4.963 5 40 IJBB CCOC(CC)=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100045957 PCECUYSSNCPWFI-UHFFFAOYSA-N 430.329 4.506 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 21005549 ARIAXHBCZMRCHI-QHCPKHFHSA-N 440.459 4.934 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229991 JVRMVNQUMJWQSZ-OAQYLSRUSA-N 426.856 4.981 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C 106741085 KGSLCUZBEPCCAI-ODLFYWEKSA-N 428.466 4.627 5 40 IJBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccccc4F)NC3=O)o2)c([N+](=O)[O-])c1 408802539 YNYPWMYKEOBGFQ-UHFFFAOYSA-N 440.432 4.765 5 40 IJBB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 3230120 YSNPOLZBUIEAAD-GXDHUFHOSA-N 432.454 4.579 5 40 IJBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142980 DSLIUZCIKXJSGK-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB CCOC(=O)c1cc(C(=O)N(Cc2ccc(CC)cc2)Cc2cccnc2)cc([N+](=O)[O-])c1 32505209 KMXKNEOOACARHX-UHFFFAOYSA-N 447.491 4.572 5 40 IJBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225616909 KWZIYTVFGMPJIE-OXJNMPFZSA-N 445.947 4.513 5 40 IJBB O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CCCC2)cc1 226072154 TYRBZMYNIYMAED-VWLOTQADSA-N 433.528 4.812 5 40 IJBB COCCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 409001869 XFWFMPRGOHYBEB-UHFFFAOYSA-N 439.855 4.778 5 40 IJBB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19929031 OYIVECPJONQZMC-UHFFFAOYSA-N 439.280 4.606 5 40 IJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N[C@H]1CCOc2ccccc21 27326390 IDNZSAYHUKCMIZ-IBGZPJMESA-N 440.528 4.768 5 40 IJBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1ccco1 40050522 MVSCILFENWPAKC-UHFFFAOYSA-N 434.496 4.806 5 40 IJBB Cc1c(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cccc1[N+](=O)[O-] 84041554 GDCXILRHUYECMX-UHFFFAOYSA-N 432.263 4.672 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224881228 RWAXFTGLKOFFOP-UHFFFAOYSA-N 430.258 4.892 5 40 IJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(C)c2)cc1 2253268 VXRBTGMMOABCKT-UHFFFAOYSA-N 431.499 4.949 5 40 IJBB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 9009686 VDCUMEJNYFDNEG-JOCHJYFZSA-N 441.443 4.771 5 40 IJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 32118845 HHSYKRDBFCDOEL-UHFFFAOYSA-N 428.539 4.982 5 40 IJBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccco1)c1ccc(F)cc1F 48354748 PBBXUHKXIVBMEM-UHFFFAOYSA-N 441.434 4.916 5 40 IJBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(C)C2=O 408755769 FJGLCPWQMLISJN-UHFFFAOYSA-N 425.238 4.712 5 40 IJBB CCCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 2081907 IMZVRABGGAFPTB-QSYFUGGGSA-N 428.510 5.000 5 40 IJBB C[C@@H](c1ccccc1)n1c(-c2ccc(F)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2225293 CNHJUNHFTAWTIJ-INIZCTEOSA-N 425.463 4.664 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)o1 4063051 ZNDZLJKRJXCQTP-UHFFFAOYSA-N 441.871 4.906 5 40 IJBB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316843 IPMMZQZNMZMQTK-UHFFFAOYSA-N 434.839 4.566 5 40 IJBB CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 9373415 CTHPVCPIELOFSP-JOPBRCQMSA-N 446.459 4.930 5 40 IJBB CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17095011 ZKGOSVLAZZMKIU-UHFFFAOYSA-N 426.542 4.664 5 40 IJBB Cc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)cc1C 3206796 XIXDXRRRNUPTTG-UHFFFAOYSA-N 425.238 4.928 5 40 IJBB Cc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1F 6148281 ZEDMGMMOUISNHV-UHFFFAOYSA-N 444.382 4.900 5 40 IJBB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10059804 SGZLPCHOFAAKHP-DHIUTWEWSA-N 439.475 4.876 5 40 IJBB CCc1ccc(N2C[C@H](C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)CC2=O)cc1 13131634 GBLCFNBXBQCEDK-LJQANCHMSA-N 441.483 4.605 5 40 IJBB O=C(c1cc(Cl)sc1Cl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 15391684 AVFBAJNFPDPKJO-UHFFFAOYSA-N 443.337 4.535 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409160407 WYALPYKXNUKMAM-UHFFFAOYSA-N 442.497 4.719 5 40 IJBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 19640670 UDBVXOGKNHAIDL-UHFFFAOYSA-N 444.495 4.736 5 40 IJBB Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1Cl 408685078 ONEKLFSJIHRFIB-UHFFFAOYSA-N 446.290 4.981 5 40 IJBB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 8958968 OFVCWGIAWHNNIM-UHFFFAOYSA-N 431.876 4.662 5 40 IJBB O=C(Nc1ccc(I)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9514024 LOFZBNGNFLUDLS-UHFFFAOYSA-N 434.189 4.712 5 40 IJBB CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)cc1 36619117 FUFNLYARMARKCG-HZPDHXFCSA-N 444.495 4.704 5 40 IJBB CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 59781930 ZXOQVNKQFVIMIK-UHFFFAOYSA-N 434.283 4.533 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCCC3 8441354 GPUWSWZQYBWMSQ-GFCCVEGCSA-N 428.539 4.906 5 40 IJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142602 QFGJYBYSCPMAJA-UHFFFAOYSA-N 435.480 4.898 5 40 IJBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 102188478 PGMOKPXIUVCHPT-NGSHPTGOSA-N 426.472 4.591 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 853545 WDCNLMYFWMSABR-UHFFFAOYSA-N 429.904 4.970 5 40 IJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCC(Cc2ccccc2)CC1 3443565 JFSZICFNWYQOBL-UHFFFAOYSA-N 427.551 4.778 5 40 IJBB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060318 DWQYBGOYPLVMPB-XZOQPEGZSA-N 439.475 4.876 5 40 IJBB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 17098731 XDDFKCRWDZXOKQ-FARCUNLSSA-N 434.271 4.628 5 40 IJBB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1[N+](=O)[O-] 21580386 KXOGIZDNGWPSOE-UHFFFAOYSA-N 432.436 4.798 5 40 IJBB O=C(CSc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1)NC(c1ccccc1)c1ccccc1 30835662 IUGXCBVFXMOMJJ-UHFFFAOYSA-N 444.516 4.983 5 40 IJBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1nc(-c2ccccc2)cs1 32916220 OGNDLXPPHSRGQH-UHFFFAOYSA-N 443.428 4.624 5 40 IJBB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)sc2n1 408618221 FBNSWPIIZXVMNN-UHFFFAOYSA-N 443.554 4.872 5 40 IJBB Cc1c(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)ccc2c1oc(=O)c1ccccc12 13607306 OWLDZFFGVABGJD-UHFFFAOYSA-N 444.462 4.613 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024768 GDWYLLMUDJENMC-VXKWHMMOSA-N 433.537 4.696 5 40 IJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)cnc32)cc1 2240747 KHCNHNMYJBAOSA-UHFFFAOYSA-N 431.499 4.894 5 40 IJBB Cc1ccccc1-c1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1 8587106 CVROZPAMMBVWCF-UHFFFAOYSA-N 441.491 4.947 5 40 IJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCCc1ccccc1 8916441 OQXVOZMNDNVADX-UHFFFAOYSA-N 445.412 4.796 5 40 IJBB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(C)=O)c1-c1ccc([N+](=O)[O-])cc1 9943196 PSKVVIHGRXXPJC-UHFFFAOYSA-N 438.461 4.955 5 40 IJBB O=C(O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 31715987 XNGAEWBIGCGDAO-ZEQRLZLVSA-N 432.476 4.566 5 40 IJBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)c(C)nc21 2425453 KVBYKQWAYVPSDS-UHFFFAOYSA-N 441.535 4.706 5 40 IJBB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3451437 MBCUFAZECJTRPP-LBPRGKRZSA-N 437.506 4.781 5 40 IJBB Cc1ccccc1-n1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 8836504 FHZSPSMVEQDREH-UHFFFAOYSA-N 426.392 4.761 5 40 IJBB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c(C)c1 9316560 CZTJAERJCUQFNE-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1SC(F)F 12267667 RYGVRKUOTIKCAV-UHFFFAOYSA-N 448.403 4.965 5 40 IJBB Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c([N+](=O)[O-])c1 13135035 OVRGUELEMCLRIR-UHFFFAOYSA-N 445.522 4.567 5 40 IJBB O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1cc(Cl)ccc1[N+](=O)[O-] 14357881 RFFGZHAZKAPLIT-UHFFFAOYSA-N 438.823 4.872 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409350517 RZQJWEYECKFFNH-MUKKUYKPSA-N 427.423 4.510 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(-c3ccc(Cl)cc3)nc21 2338114 ODBDBMJXXMDWCD-UHFFFAOYSA-N 441.918 4.812 5 40 IJBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 6442766 ZKBUBAHRVWVPGJ-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1 6446606 RFJAQAQHUJJVFT-UHFFFAOYSA-N 431.477 4.573 5 40 IJBB C[C@H](Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-])C(=O)N1CCCCC1 40149329 WIYZXYKPYZZFCA-KRWDZBQOSA-N 446.507 4.813 5 40 IJBB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 408637813 AFZFJGFVKNGGCR-GOSISDBHSA-N 445.475 4.996 5 40 IJBB O=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)S1 408821380 GWULSFTWPJYXQA-WZUFQYTHSA-N 429.635 4.595 5 40 IJBB C[N+]1(Cc2ccc3ccccc3c2OC(=O)c2ccc(Br)cc2)CCOCC1 856049 IKCYZWRAMBOTBK-UHFFFAOYSA-N 441.345 4.798 5 40 IJBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccccc1 2302971 AYBHKMBASFFQAR-UHFFFAOYSA-N 431.499 4.835 5 40 IJBB Cc1cc(OC(F)F)ccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 2796579 INANGQSOMBZXKE-UHFFFAOYSA-N 430.411 4.619 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 13778484 NQOBZJDWGPBNKC-LJQANCHMSA-N 436.807 4.693 5 40 IJBB COc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1OC 100045975 SYXPZGJPGXEGRN-FRKPEAEDSA-N 449.375 4.998 5 40 IJBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222851582 SYBHXKUOADQRRI-NHCUHLMSSA-N 438.509 4.639 5 40 IJBB COCCn1c(-c2ccc(Cl)cc2Cl)nc2sc3ccccc3c(=O)c2c1=O 2365704 FYLUPPBXBGZQTP-UHFFFAOYSA-N 433.316 4.592 5 40 IJBB COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2c1 9829741 LJQRWRAYKPIDMF-JXMROGBWSA-N 446.488 4.855 5 40 IJBB COc1ccc(NC(=O)COC(=O)c2ccccc2Nc2cccc(C)c2C)c([N+](=O)[O-])c1 15912514 HBIGGYKGDLLRCP-UHFFFAOYSA-N 449.463 4.759 5 40 IJBB COc1c([N+](=O)[O-])cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 20528960 BOXAUTBHMKEOAZ-UHFFFAOYSA-N 431.445 4.605 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408673375 RRVFTPMWIHMTBE-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1C 15529265 LYPVPAHDGPRWPV-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 32118729 MPRNDFRSJLVEDK-UHFFFAOYSA-N 444.538 4.683 5 40 IJBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] 408576481 VZQZGJTYWJHSCO-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1C 12342018 MFENTKXIBRJTEG-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB CCc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 16161264 RKUHRGOJMMSQCB-UHFFFAOYSA-N 430.629 4.668 5 40 IJBB O=C(CSc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)c1ccccc1 2969056 UKMNRQYQICMRGT-UHFFFAOYSA-N 441.472 4.828 5 40 IJBB Clc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)cc1 9345790 KMMVGRWVVBWFNO-UHFFFAOYSA-N 426.958 4.811 5 40 IJBB O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)c([N+](=O)[O-])c1 12731864 AQFAOZUUVOGMLS-UHFFFAOYSA-N 429.839 4.625 5 40 IJBB CC(C)N(CCSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)C(C)C 58134010 IWITXARJHBUNSX-UHFFFAOYSA-N 433.581 4.516 5 40 IJBB O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 58159065 FCMYKKGAUBAQAB-UHFFFAOYSA-N 441.837 4.662 5 40 IJBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 6150728 CTHQSXHPISFXGJ-UHFFFAOYSA-N 427.508 4.791 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccccc1Br 11162635 JZSOKUFKIUIVBC-UHFFFAOYSA-N 425.238 4.841 5 40 IJBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409364126 VIAHSEHEWFXHLR-PXNMLYILSA-N 437.260 4.821 5 40 IJBB COc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(C)c2[N+](=O)[O-])c1 8781184 AFCYFZAWPBIQHW-UHFFFAOYSA-N 430.262 4.952 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1C 12921548 MNACOKKDFXYINJ-OAQYLSRUSA-N 427.551 4.921 5 40 IJBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408571024 MWBBZWCAZQWNHY-IBGZPJMESA-N 448.932 4.665 5 40 IJBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cc(C(F)(F)F)ccc1N1CCCC1 13097291 NZNXAHQKFSHLRL-ZZXKWVIFSA-N 449.385 4.594 5 40 IJBB O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@]2(CCc3ccccc3O2)C1 577993286 YTQDKJZPQSFEHV-AREMUKBSSA-N 446.453 4.569 5 40 IJBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC(F)F 12607814 VGZSVMGXUYUMOB-UHFFFAOYSA-N 435.427 4.693 5 40 IJBB CC(C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)(c1ccccc1)c1ccccc1 16576775 BDWVKIDLHLAZTR-UHFFFAOYSA-N 449.938 4.903 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 223066179 CPLDEDJNSSLCJH-FUMQJTLXSA-N 443.547 4.766 5 40 IJBB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 408721953 NGFRFSHYYAFCHH-CJRSTVEYSA-N 442.471 4.988 5 40 IJBB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc([N+](=O)[O-])cc1 9108946 BAGBEQYACVLIMP-UHFFFAOYSA-N 436.431 4.619 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729033 XBMZHGARWPGBIQ-XWYWGPMTSA-N 438.483 4.648 5 40 IJBB O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 3214205 GUFDSIDFMZNZRO-UHFFFAOYSA-N 442.699 4.813 5 40 IJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCCOc2ccccc2F)n1 13097909 YALSMTIJWFEAIQ-UHFFFAOYSA-N 434.470 4.886 5 40 IJBB Cc1c(O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCCC4)c3nc12 79491735 UYVQWRXZMZXKEA-UHFFFAOYSA-N 444.491 4.889 5 40 IJBB Cc1csc2nc(CSc3nc4ccccc4c4nc5ccccc5n34)cc(=O)n12 8760752 IYTCRRORQDAQSC-UHFFFAOYSA-N 429.530 4.706 5 40 IJBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9833325 FPCGYKRFUCAPRS-MRXNPFEDSA-N 438.509 4.605 5 40 IJBB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 14269369 KRFHFCBNYNYBTG-UHFFFAOYSA-N 444.310 4.946 5 40 IJBB CCc1c(-c2cccc(OC)c2)nn(Cn2nc([N+](=O)[O-])cc2C)c1-c1cccc(OC)c1 19645918 RKPCJBGISCGRNJ-UHFFFAOYSA-N 447.495 4.716 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] 830158 HYLCJOCDZICMQR-UHFFFAOYSA-N 437.843 4.633 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N23)cc1 12062444 RSBJEZXJRKBQLG-NDBXHCKUSA-N 426.472 4.591 5 40 IJBB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13943407 IGEPNSHERXQHJM-NDENLUEZSA-N 448.818 4.812 5 40 IJBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nn12 33738954 HJXLYYZFJLHYFC-UHFFFAOYSA-N 442.888 4.538 5 40 IJBB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 11026015 RGIJHIMFACKZPR-UHFFFAOYSA-N 448.866 4.816 5 40 IJBB O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(Cl)cc1Cl 20142770 AFQCUKBNRWAWDS-UHFFFAOYSA-N 438.267 4.842 5 40 IJBB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 21581221 YUSLJMJBWJBZQK-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 3404102 DXMVUBDUPBJFLH-JOCHJYFZSA-N 428.492 4.704 5 40 IJBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33608792 HFYLTDJVFAGOTJ-UHFFFAOYSA-N 438.509 4.828 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 38753955 PXSBPTFFWYJIBH-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223358591 VEFOHXYIFVFNCN-FGZHOGPDSA-N 445.504 4.546 5 40 IJBB CCCc1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 408631918 NEWZGJUBVQJIKI-DHDCSXOGSA-N 434.861 4.797 5 40 IJBB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 10035119 ACZRKSRFXRXAJV-UHFFFAOYSA-N 441.871 4.906 5 40 IJBB O=C(Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 408673996 WSIRQIHYEWCEPE-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB O=C(Nc1ccc(-c2nc3ncccc3o2)c(O)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372878 IEVJNGAFAIPSBG-UHFFFAOYSA-N 444.447 4.954 5 40 IJBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 32127049 MXCRFORLRIHXLK-WEVVVXLNSA-N 441.827 4.754 5 40 IJBB CN(C)C(=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1)N(C)C 8716689 WHWCCIICMILNIL-UHFFFAOYSA-N 425.272 4.650 5 40 IJBB Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c([N+](=O)[O-])cc1C 9793904 GGHZXCRIVONITA-UHFFFAOYSA-N 429.527 4.597 5 40 IJBB COc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 888318 BSIDCCHQFKZJQC-UHFFFAOYSA-N 446.488 4.826 5 40 IJBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccccc2)c2cc(F)ccc2N1 2685932 DMKYKEANVNWMTC-OAQYLSRUSA-N 439.830 4.571 5 40 IJBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1cccs1 8448383 GSVMEWNJWSDIGP-UHFFFAOYSA-N 440.349 4.950 5 40 IJBB CCCOC(=O)c1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 8871224 HIXRKGNALCQHRV-UHFFFAOYSA-N 442.475 4.627 5 40 IJBB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc([N+](=O)[O-])c1 9413654 KHXGQRQYWHPAGD-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc2c(c1)OCO2 9414179 LGSNFFVKFWZQMK-UHFFFAOYSA-N 445.387 4.574 5 40 IJBB Cc1cc(C)cc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 19927401 FMVKWPKHVXCNRL-UHFFFAOYSA-N 433.873 4.802 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38856360 KRUAHLSBJBWYDC-UHFFFAOYSA-N 438.311 4.761 5 40 IJBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(Cl)cc1 409236309 DMSVIESUTLVYLD-FYJGNVAPSA-N 449.850 4.925 5 40 IJBB O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 1456178 PGLSTQIQBPCHRJ-UGGZBGRQSA-N 429.540 4.888 5 40 IJBB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 9062422 OAPGCUHFANTADQ-UHFFFAOYSA-N 449.448 4.519 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 12437118 SEPRFBXPUNFNCN-UHFFFAOYSA-N 436.384 4.791 5 40 IJBB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 12756940 BOEOBQLHKWBBMH-INIZCTEOSA-N 431.496 4.560 5 40 IJBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 17098863 MTIBLNZQFUTSFK-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB Cc1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br 57313507 UWEASVCQWRWJNL-UHFFFAOYSA-N 433.306 4.549 5 40 IJBB CC[N+](CC)(CC)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705791 JVQTZEAYDQOSMZ-HDGFEWIESA-N 431.685 4.973 5 40 IJBB COC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccn1 16046900 UAAJRJSHKYVAFP-QNGOZBTKSA-N 426.432 4.556 5 40 IJBB COCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 32124819 WWVBWTODTPMKMR-PDGQHHTCSA-N 430.507 4.737 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 33698577 MIJMIPPHMREABD-ZKKFKWFVSA-N 444.874 4.819 5 40 IJBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](CC)C2 1102472 DNFSGFIOAOGVKN-CQSZACIVSA-N 446.525 4.674 5 40 IJBB CCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O 2330411 LHLNTBXLNBYCBX-UHFFFAOYSA-N 425.282 4.733 5 40 IJBB O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33765195 DQMJQIMYIKHKIM-UHFFFAOYSA-N 444.535 4.701 5 40 IJBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2053025 DTQUQAQBSUTBBU-UHFFFAOYSA-N 431.360 4.529 5 40 IJBB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 2738725 HQKKPGUGTYHTHC-DPQIITEBSA-N 428.510 5.000 5 40 IJBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1OC 9046586 YEGNFTUGWCJALS-HYBUGGRVSA-N 431.448 4.854 5 40 IJBB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9422454 UGMIGFOYOMCJKF-UHFFFAOYSA-N 429.904 4.535 5 40 IJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12561619 XMWZKNZIBMDOBD-HYBUGGRVSA-N 429.432 4.608 5 40 IJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 107752122 LNGPXRGOGJPHNY-DAXSKMNVSA-N 442.340 4.679 5 40 IJBB COc1cc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc(OC)c1OC 61997671 VIOMPOANMKJJPP-UHFFFAOYSA-N 447.487 4.633 5 40 IJBB biogenic O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 253616889 OLOATPURPNDQGG-NEWJYFPISA-N 439.471 4.660 5 40 IJBB COc1ccc2nc3sc4c(SCC(=O)NCc5ccccc5)ncnc4c3cc2c1 1327811 CUSFQLHIFBONLM-UHFFFAOYSA-N 446.557 4.810 5 40 IJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccnc1SCc1cccc([N+](=O)[O-])c1 3350734 WRBJCZJJJZYGRB-UHFFFAOYSA-N 425.422 4.547 5 40 IJBB Nc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccc(Cl)cc3[nH]2)cc1 8652842 LJKRWQUQDCHKMO-RGVLZGJSSA-N 433.855 4.635 5 40 IJBB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 9829757 LVYIEHXSOHWNKD-UHFFFAOYSA-N 434.477 4.764 5 40 IJBB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 10187564 NUORODJFPOZZTN-UHFFFAOYSA-N 434.477 4.845 5 40 IJBB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 19630651 JDAMPDCKLXGMOS-UHFFFAOYSA-N 439.855 4.667 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1 20611839 PBKPQQCRPJIFSH-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409342835 HNALNGPMIQTJCI-CXUHLZMHSA-N 436.367 4.533 5 40 IJBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2OC)cc1 13896340 RWMPMAAFVDZADD-IZHYLOQSSA-N 445.431 4.843 5 40 IJBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)c(Cl)c1 17095285 KQIQOIWURXUTSO-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32517579 DEBRJAUSQRIXCL-UHFFFAOYSA-N 428.798 4.517 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N23)cc1 238924292 RSBJEZXJRKBQLG-NGSHPTGOSA-N 426.472 4.591 5 40 IJBB COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] 14359963 JALKGWMRSOBFMB-UHFFFAOYSA-N 442.537 4.872 5 40 IJBB CCOc1ccc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 16692352 FRWPYLDBZHNHFP-UHFFFAOYSA-N 428.714 4.611 5 40 IJBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 106703391 MVDJKYZHLDYWSY-SXGWCWSVSA-N 433.283 4.902 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2304079 AJLWWNDZZVVGJH-UHFFFAOYSA-N 427.508 4.873 5 40 IJBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 3340519 VXSDLTAGQAZXQY-UHFFFAOYSA-N 446.488 4.826 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCc2ccccc2)cc1 14269474 QZQJMIJXTLGNDB-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721412 GVDYQBFNORITTE-NEWJYFPISA-N 442.471 4.988 5 40 IJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2307490 QEWKGSUEJQKDJT-UHFFFAOYSA-N 427.508 4.542 5 40 IJBB NC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCCCC2 9404732 BIFWOAHEUAQFQF-UHFFFAOYSA-N 432.501 4.628 5 40 IJBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 14360693 JEFGEZJOFYEATI-NTCAYCPXSA-N 434.473 4.941 5 40 IJBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408571025 MWBBZWCAZQWNHY-LJQANCHMSA-N 448.932 4.665 5 40 IJBB COc1ccc([C@H]2CCCCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 1706542 MAFBUJOWFLDDIH-MJGOQNOKSA-N 429.469 4.894 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 2401582 YFHLFGUHWXIPMU-OAHLLOKOSA-N 427.508 4.880 5 40 IJBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1ccc(F)cc1 19792222 IUJVNFZWDLOHLP-UHFFFAOYSA-N 432.451 4.973 5 40 IJBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2cccc(OC)c2)cc1 23505122 SZCONRLXSPDGDD-LCUIJRPUSA-N 445.431 4.843 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 248147016 IAXCIVOBNCJCQT-UHFFFAOYSA-N 432.432 4.504 5 40 IJBB CCCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 2081905 IMZVRABGGAFPTB-PLWJUESGSA-N 428.510 5.000 5 40 IJBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 3234919 OECHUEUWHYQDKY-UHFFFAOYSA-N 449.467 4.712 5 40 IJBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 9829716 RIMGLSWFDVVYET-FLIBITNWSA-N 434.452 4.985 5 40 IJBB CCOC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 13098375 OJMJPOBSWXSMMC-UHFFFAOYSA-N 425.388 4.608 5 40 IJBB Cc1cc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2c2ccccc12 16097218 HLMIQINTKXAETA-GFCCVEGCSA-N 441.900 4.872 5 40 IJBB O=[N+]([O-])c1c(O)nc(/C=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)nc1O 409342296 BHOFEYJTJRADAG-SOFGYWHQSA-N 440.818 4.762 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1 8871103 LSFBCAYLXRSOFI-UHFFFAOYSA-N 437.890 4.985 5 40 IJBB C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 9127692 DYIHZDKIJDWWRE-NSHDSACASA-N 431.857 4.556 5 40 IJBB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 33325028 JTZRSHKEQFPWIZ-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 102188484 PGMOKPXIUVCHPT-ROHNOIKCSA-N 426.472 4.591 5 40 IJBB COc1cccc(Cn2nc(C)c(/C=C/C(=O)OCc3ccc([N+](=O)[O-])cc3)c2Cl)c1 3447095 OQDVTIAELSFUPF-ZHACJKMWSA-N 441.871 4.567 5 40 IJBB Cc1c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cccc1[N+](=O)[O-] 20105883 CRFFOSAEMPYWJB-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(Nc1cccc(OCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 33181749 BBOPCJYWXOSODU-UHFFFAOYSA-N 432.480 4.811 5 40 IJBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408638167 BNQRLJVVPVNHGV-KRWDZBQOSA-N 431.448 4.687 5 40 IJBB COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 9226376 JETGUYWIOXONSW-UHFFFAOYSA-N 433.420 4.738 5 40 IJBB Cc1c(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc2c1oc(=O)c1ccccc12 9510704 YOOQHLKLQMXNCN-UHFFFAOYSA-N 437.492 4.807 5 40 IJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223750315 MRIWTSWPNYIFNW-HXUWFJFHSA-N 445.947 4.514 5 40 IJBB CC(C)COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OCC(C)C)cc1 15944883 RONTWJMFFCPUKI-XKZIYDEJSA-N 440.496 4.600 5 40 IJBB CCOC(=O)[C@H](C(C)=O)C(c1c2ccccc2cc2ccccc12)[C@@H](C(C)=O)C(=O)OCC 16682140 ZAWXSOPDZSJZFM-DHIUTWEWSA-N 448.515 4.613 5 40 IJBB C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 21628783 YWKRDIDJDQMLMY-JTQLQIEISA-N 440.283 4.778 5 40 IJBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Sc1ccccc1 34691142 BUWWWYNLQFUPFG-UHFFFAOYSA-N 448.548 4.507 5 40 IJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)c1I 57313000 PMQUTLUBHLJFSR-UHFFFAOYSA-N 430.629 4.722 5 40 IJBB COc1ccc(CCn2c(-c3ccccc3F)nc3oc4ccccc4c(=O)c3c2=O)cc1 2230469 CGMUWCLTHWFHNW-UHFFFAOYSA-N 442.446 4.560 5 40 IJBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 409182602 NAIOUZSBYPDCCT-UHFFFAOYSA-N 429.432 4.813 5 40 IJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cc(=O)oc2cc3c(cc12)CCC3 10085171 QEUSIYLWTYOHRN-FNORWQNLSA-N 425.824 4.600 5 40 IJBB COc1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 12312261 OCINUDLMZSSONO-UYRXBGFRSA-N 449.850 4.897 5 40 IJBB O=[N+]([O-])c1cc(CN2CCN(c3ncccn3)CC2)ccc1Sc1ccc(Cl)cc1 13395977 PYDZMESAHTXVHJ-UHFFFAOYSA-N 441.944 4.512 5 40 IJBB Cc1nc2ccccc2c2c(NC(=O)CCn3c(=O)oc4ccccc43)c3ccccc3n12 14632781 IAVYZRZZPQTTPA-UHFFFAOYSA-N 436.471 4.886 5 40 IJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409173928 PPEHBRCDOIVVJS-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 12892885 QWTRALOSAPCZFB-UHFFFAOYSA-N 441.509 4.632 5 40 IJBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408562628 RAADQDLCASNGJM-LNVKXUELSA-N 429.473 4.596 5 40 IJBB Cc1nnc(Sc2ccc(-c3nc(O)c4c(C)c(C)sc4n3)cc2[N+](=O)[O-])s1 408987737 BTVDJVWKTKKONA-UHFFFAOYSA-N 431.524 4.900 5 40 IJBB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1ccc([N+](=O)[O-])cc1 409053726 HITBDVOYMZJYQZ-UHFFFAOYSA-N 427.526 4.850 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccccc1 409226048 SNMCTRQIMRSOCK-UDWIEESQSA-N 434.429 4.774 5 40 IJBB CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 8872044 DAOPJGUIADHKSX-UHFFFAOYSA-N 431.857 4.801 5 40 IJBB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 9440883 FFAOUVUAVNLEBU-UHFFFAOYSA-N 448.806 4.784 5 40 IJBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1cccnc1Cl 9703620 YMTZEASIVKHMHU-QGZVFWFLSA-N 446.246 4.833 5 40 IJBB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032837 CIXWWSNMINYUQM-UHFFFAOYSA-N 426.538 4.888 5 40 IJBB CCOC(=O)[C@H](C(C)=O)[C@@H](c1c2ccccc2cc2ccccc12)[C@H](C(C)=O)C(=O)OCC 248341455 ZAWXSOPDZSJZFM-YXFZHOHLSA-N 448.515 4.613 5 40 IJBB CCCc1nc(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408631818 LWWGKJQADZROCM-YVLHZVERSA-N 428.470 4.760 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-] 859839 STGUWZCLYKRUPY-UHFFFAOYSA-N 426.498 4.982 5 40 IJBB O=C1N(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)[C@@]2(C[N+](=O)[O-])CCCN12 2635351 UQOHVZPFLKZWIE-LJQANCHMSA-N 435.267 4.629 5 40 IJBB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] 8453331 ZIBVJAULSWTVGC-VIFPVBQESA-N 444.079 4.526 5 40 IJBB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 12542993 UEBZZPOFXYLPBD-JTQLQIEISA-N 427.404 4.691 5 40 IJBB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)c2)CC1 29374254 OWORAAACNLJAHY-UHFFFAOYSA-N 434.496 4.557 5 40 IJBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc2ccccc12 59503349 SCQUEJIIISJNOO-GMMLXXJASA-N 446.462 4.625 5 40 IJBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(C)cc2)cc1 408695829 SWWKQMXQUJSLCO-UHFFFAOYSA-N 443.463 4.802 5 40 IJBB Cc1cccc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408739122 XWOIMUPFEOBKIP-QFIPXVFZSA-N 447.491 4.688 5 40 IJBB COc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccc([N+](=O)[O-])cc1 17045826 PTWANMUZOAJHQM-HXUWFJFHSA-N 440.459 4.930 5 40 IJBB CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 19635850 JXKOPRDKQGMIHK-UHFFFAOYSA-N 442.475 4.632 5 40 IJBB CCOc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 24344622 GAKUJMCHXLSLBJ-UHFFFAOYSA-N 435.267 4.797 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 38756380 QGCOTKPNPGILEL-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nc(C)c(C)s1)C3=O 8827409 VBOAWDAPHONDHZ-IBGZPJMESA-N 447.472 4.833 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 15529142 BPHVJCDCHSMGEA-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 59477631 ICDZTQBFHFIRQU-DHZHZOJOSA-N 437.883 4.870 5 40 IJBB Cc1ccc(Sc2ccc(/C=C(/Sc3nnc(C)o3)C(=O)O)cc2[N+](=O)[O-])cc1 408632032 COYABJPYCDKKEK-LICLKQGHSA-N 429.479 4.964 5 40 IJBB O=C(Nc1cc(Cl)ccc1Cl)c1cc(I)cc([N+](=O)[O-])c1 4015644 CHPPQCJJPPPXEZ-UHFFFAOYSA-N 437.020 4.759 5 40 IJBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-] 6601914 JOOKFLHCUSJHGQ-UHFFFAOYSA-N 431.452 4.597 5 40 IJBB Cc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1 9509832 UIQJDWUCZLJDCX-RVDMUPIBSA-N 428.491 4.749 5 40 IJBB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9647121 LZJUYRZWZLDOHL-SECBINFHSA-N 440.378 4.815 5 40 IJBB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225536876 IXDSOJXXTBQMFV-UHFFFAOYSA-N 437.540 4.910 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 409228642 BYIAJCNOEGTBTG-WQRHYEAKSA-N 437.839 4.910 5 40 IJBB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9076278 SNKWHBDHAPHEKE-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB O=[N+]([O-])c1cccnc1Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9120755 JNTJORBTIFTEJF-UHFFFAOYSA-N 438.387 4.553 5 40 IJBB CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)cc1 9273259 GTPAFDUSPZQRFE-UHFFFAOYSA-N 448.527 4.568 5 40 IJBB O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 84498003 SWUOEIYVPRRUOR-UHFFFAOYSA-N 447.335 4.595 5 40 IJBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408563657 WDMKHVVYXZHLHZ-VZCXRCSSSA-N 446.326 4.957 5 40 IJBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9122079 MRPAJQGRCHYRHK-GOSISDBHSA-N 440.799 4.741 5 40 IJBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 9192628 DKCPFPFYGKGJOA-UHFFFAOYSA-N 430.892 4.839 5 40 IJBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 224531881 SCQFJRSIXAZMMH-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(-c2csc3nc4c5ccccc5c(NCCCN(C)C)nn4c(=O)c23)cc1 2679415 QOPHDNPCVKIJEJ-UHFFFAOYSA-N 443.576 4.796 5 40 IJBB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177175 HZWXGNAOQIOOFP-AWEZNQCLSA-N 435.465 4.555 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 8827457 NPXXKLCARMGWNQ-INIZCTEOSA-N 439.836 4.561 5 40 IJBB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1cccc([N+](=O)[O-])c1 2393815 FOVNQFVLSLINDJ-UHFFFAOYSA-N 438.447 4.722 5 40 IJBB CSc1cccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)o2)c1 9346513 WZXPFYZYTURGLU-UHFFFAOYSA-N 429.457 4.970 5 40 IJBB COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 20140691 TXIIGUPIYHKQAO-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408562282 OOWLRBSDSBOECF-DQRAZIAOSA-N 440.481 4.665 5 40 IJBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 2986822 HGVMHOVHSDYQDT-CJLVFECKSA-N 444.443 4.706 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1 8812535 OVWXEYQOQJZRLM-UHFFFAOYSA-N 426.498 4.982 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)c1 409244573 FRZOVMVVPCJHHZ-FYJGNVAPSA-N 443.459 4.575 5 40 IJBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 18283151 MCNWONKSIUGNBT-DDBVPJQNSA-N 438.483 4.648 5 40 IJBB C[C@@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@@H]3[C@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12 213641091 JNMZYVOWRZCJKC-NQTWHEGUSA-N 446.503 4.531 5 40 IJBB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225506361 UESBZBUGCLMCGK-UHFFFAOYSA-N 425.529 4.766 5 40 IJBB CCCc1nc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)n[nH]1 408630528 BBTGDOKECNAUPJ-DHDCSXOGSA-N 434.861 4.797 5 40 IJBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9524253 PGMOKPXIUVCHPT-NDBXHCKUSA-N 426.472 4.591 5 40 IJBB CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccc(Cl)cc1 11614625 LEHBLFOWKJDHQU-OAQYLSRUSA-N 432.907 4.706 5 40 IJBB O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccccc1 17096852 ACFDOOCSSSSHLA-UHFFFAOYSA-N 430.464 4.700 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2Br)c1 27260857 OQGOYBWBJDMDCQ-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB CCCC(=O)Nc1nc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2s1 40146215 IAKIFIGQIVIWBT-UHFFFAOYSA-N 430.511 4.674 5 40 IJBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409358097 KHOKGLSJPYJVMV-GQFJFNLSSA-N 440.477 4.691 5 40 IJBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])cc1 1773899 HGBMHRIJAXWHED-DEOSSOPVSA-N 429.476 4.899 5 40 IJBB biogenic O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 10233251 CJCHVDJODKEDEP-UHFFFAOYSA-N 444.399 4.596 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)c1nc2ccc(F)cc2s1 10254322 HVDNCMVTHIOZHY-FPYGCLRLSA-N 434.452 4.985 5 40 IJBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 22907855 IEUWQYANGGXDPK-FQEVSTJZSA-N 441.940 4.839 5 40 IJBB C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3C[N+]2(C)C1 103629173 DRDMQVSMQHFVGE-MXUKNBGXSA-N 430.697 4.708 5 40 IJBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC 408567131 GOPWVSSXUKNUAU-NRFANRHFSA-N 442.541 4.792 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 835818 SPGYLLMFYPLILO-YCIYHOANSA-N 444.874 4.819 5 40 IJBB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 9381108 NUSQPAADFGPDMZ-UHFFFAOYSA-N 445.500 4.964 5 40 IJBB COc1cc(NC(=O)CSc2nnc(Nc3ccccc3C)s2)c(C)cc1[N+](=O)[O-] 9510108 JZNCCZWNNPKLGO-UHFFFAOYSA-N 445.526 4.546 5 40 IJBB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 10254298 DNYYFXKAIMOHIY-UHFFFAOYSA-N 440.506 4.907 5 40 IJBB COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 14152805 BRSRYZOBUIZHTI-UHFFFAOYSA-N 444.900 4.753 5 40 IJBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1cccc([N+](=O)[O-])c1 33621182 RYKDIFPXFHRPBL-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB CCCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OCC 1756419 ZPTJOHJGUBJDFU-YVLHZVERSA-N 430.844 4.780 5 40 IJBB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3C)cc2c1 13659740 SGOOJYULLLQUOV-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 14269431 AQHKEKPKNFTJMM-UHFFFAOYSA-N 446.828 4.543 5 40 IJBB Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)c1 33660062 YNLCIGDUXXNAHC-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1C 408694803 MOAXOGHKVUHYAF-UHFFFAOYSA-N 431.427 4.851 5 40 IJBB COc1ccc(CCn2c(C3CCCCC3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2438169 OSHSWQFVEZUGDQ-UHFFFAOYSA-N 443.547 4.547 5 40 IJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2306740 UDEJJXCSLIGXBN-UHFFFAOYSA-N 427.508 4.655 5 40 IJBB Cc1cc(C(=O)Oc2ccc([C@@H]3NC(=O)c4c(sc(C)c4C)N3)cc2)ccc1[N+](=O)[O-] 8721972 QQYOVIMJNQNOTA-LJQANCHMSA-N 437.477 4.655 5 40 IJBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 8741343 SBQYGDHWGFHAOZ-UHFFFAOYSA-N 438.919 4.823 5 40 IJBB O=C(COc1ccccc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414263 RZSOGCVGMHORAO-UHFFFAOYSA-N 431.404 4.611 5 40 IJBB CN1C(=O)S/C(=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C1=O 408821014 BKGWUYKXVVJWLO-SDQBBNPISA-N 443.662 4.937 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nc(C)cs1)C3=O 8827446 SSEVWRCDKFQJTQ-SFHVURJKSA-N 433.445 4.524 5 40 IJBB Cc1cc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n2nc(C)c(-c3ccccc3)c2n1 9331637 XJCAYHKZKSQFRH-UHFFFAOYSA-N 433.493 4.652 5 40 IJBB O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9613134 VDRYNGSHQLPJMY-NRFANRHFSA-N 432.505 4.663 5 40 IJBB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12795704 NKONSLQENKPPKU-UHFFFAOYSA-N 439.855 4.717 5 40 IJBB O=C(Cc1c(Cl)cccc1Cl)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13148195 FDULOCPIJNBBBY-UHFFFAOYSA-N 436.217 4.691 5 40 IJBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 108991786 HVBPLNFJIIAHTL-HNNXBMFYSA-N 440.525 4.884 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 409228068 SYLBHKQPURDUNL-HYARGMPZSA-N 443.459 4.575 5 40 IJBB Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 868188 PIMNHOYSPVIZMY-UHFFFAOYSA-N 441.443 4.796 5 40 IJBB aggregator CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)cc1[N+](=O)[O-] 14358576 QNYMQGUUIBWAJS-UHFFFAOYSA-N 449.507 4.727 5 40 IJBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 16384523 YDZWLMFHGYHLKA-UHFFFAOYSA-N 427.294 4.638 5 40 IJBB C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398838 UBIAEIPBMUHLGE-MPCDZSKCSA-N 427.548 4.951 5 40 IJBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12 57312938 RGPLKPPPZHJZCI-UHFFFAOYSA-N 446.448 4.582 5 40 IJBB Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cccc1[N+](=O)[O-] 409267948 XCOUHBGGRAGMMM-XMMPIXPASA-N 447.516 4.930 5 40 IJBB COc1ccc(C)cc1-n1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)cnc21 2377502 CGKUJHRZALOJCU-UHFFFAOYSA-N 427.508 4.647 5 40 IJBB CNC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CC[C@@H](C)C2 12064273 JNMLPUJWQQRMLW-CYBMUJFWSA-N 446.528 4.744 5 40 IJBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409310837 CCAPERSNYXTILS-HYXAFXHYSA-N 437.496 4.833 5 40 IJBB CCCCCCn1c(-c2ccc(OC)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2239743 CGLKROMDBNZILJ-UHFFFAOYSA-N 434.492 4.767 5 40 IJBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 9679151 MEGYABTWLJMGOK-UHFFFAOYSA-N 440.799 4.661 5 40 IJBB CCOc1cc2c(cc1NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)O[C@H](C)C2 12609087 KIIMVUNZVXVINK-MRXNPFEDSA-N 428.488 4.516 5 40 IJBB CCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14412705 VXQKVHUUKQBHBS-OQKWZONESA-N 429.476 4.914 5 40 IJBB Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc1C2=O 35623058 WNWSQJYUWNJKOQ-UHFFFAOYSA-N 435.509 4.646 5 40 IJBB COc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 10187617 ZOQVIVJWACFGJS-KPKJPENVSA-N 446.488 4.855 5 40 IJBB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)cc1Cl 12342103 LEBMTMHRFOGODK-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20610399 WJTYOSBKXDYZKQ-UHFFFAOYSA-N 443.394 4.980 5 40 IJBB COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc([N+](=O)[O-])c1O 37342273 ZSBZAHGBHGVOMT-YBFXNURJSA-N 436.445 4.699 5 40 IJBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225335496 QWZSZGIFROXXPH-UHFFFAOYSA-N 438.490 4.581 5 40 IJBB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9128764 CMWCQVBNDFWKTF-GFCCVEGCSA-N 442.855 4.596 5 40 IJBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 25329555 YBMORTIKWUIRQK-GBXCKJPGSA-N 429.432 4.608 5 40 IJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCCS(=O)(=O)Cc1ccccc1 32916231 AFZOECCNFNNPPJ-UHFFFAOYSA-N 436.839 4.684 5 40 IJBB O=c1[nH]c(O)nc(/C=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1[N+](=O)[O-] 33499462 HWBVPHQVMSYABY-OUKQBFOZSA-N 438.443 4.710 5 40 IJBB Cc1ccc2cccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c2n1 409182267 KCNXNKHAQNWYGU-UHFFFAOYSA-N 448.456 4.503 5 40 IJBB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 409206893 MZKWZGADWWVGKO-XDOYNYLZSA-N 431.901 4.763 5 40 IJBB O=C(Nc1ccc(I)cc1)c1cc2c(ccc3ccccc32)oc1=O 851282 JZHVWUIANLUNAK-UHFFFAOYSA-N 441.224 4.803 5 40 IJBB Cc1c(Cl)ccc2sc(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)nc12 9345629 SBZNHOHXHOFQCB-VMPITWQZSA-N 442.928 4.528 5 40 IJBB COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 32915878 FSSFWJQXHDMZKS-UHFFFAOYSA-N 443.481 4.517 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O 106745287 YCSNCOOSZNCGKL-SXGWCWSVSA-N 434.857 4.589 5 40 IJBB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214986124 IKBHHOCXGASWHX-OVCLIPMQSA-N 437.246 4.733 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729030 XBMZHGARWPGBIQ-LSSDNNNWSA-N 438.483 4.648 5 40 IJBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 19928284 JGSALEFDDMWDQL-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 32686006 CWSBIKRYHQAYRM-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409072637 KBEHMUFJTDBREM-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 2659178 RRQRDWBHLATDGJ-UHFFFAOYSA-N 431.473 4.577 5 40 IJBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N23)cc1 9319560 RSBJEZXJRKBQLG-VPBXCIAMSA-N 426.472 4.591 5 40 IJBB O=C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](c2ccccc2)c2cc(F)ccc2N1 2685938 GYHKDWNGJPPWID-OAQYLSRUSA-N 439.830 4.571 5 40 IJBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nc(C)cs1)C3=O 8827445 SSEVWRCDKFQJTQ-GOSISDBHSA-N 433.445 4.524 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 8853771 ORLTUQWIKCWLNO-LQDNNDEMSA-N 444.874 4.819 5 40 IJBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1 238923667 PGMOKPXIUVCHPT-ZFFYZDHPSA-N 426.472 4.591 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 9125010 YSPOCWHNVKHOQG-OAHLLOKOSA-N 436.420 4.580 5 40 IJBB CCc1cc([N+](=O)[O-])c(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c(C(C)(C)C)c1 2200242 UCYXTBDAJGDKTH-UHFFFAOYSA-N 439.434 4.896 5 40 IJBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 22239302 SAFUDDPKDOOQRG-INIZCTEOSA-N 427.529 4.984 5 40 IJBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc([N+](=O)[O-])c1 2255384 OZFZQVQJNZZWPY-UHFFFAOYSA-N 426.392 4.511 5 40 IJBB O=C(OCC(=O)N1CCCCCC1)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 2617337 WXNZRRJYXDCNHL-UHFFFAOYSA-N 448.928 4.959 5 40 IJBB Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1C 84077101 YNXRBBAGXJEGFP-IBGZPJMESA-N 434.564 4.671 5 40 IJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721954 NGFRFSHYYAFCHH-NAVOZUGXSA-N 442.471 4.988 5 40 IJBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2254151 KWTQOZNNGLWPLT-UHFFFAOYSA-N 448.870 4.501 5 40 IJBB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2340306 XYNOWBDAHCLDKM-UHFFFAOYSA-N 440.459 4.677 5 40 IJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 2565065 BNZFVOBJUGOMNH-UHFFFAOYSA-N 428.803 4.963 5 40 IJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12797100 ASGBSGVSFRXMSE-CYBMUJFWSA-N 438.484 4.892 5 40 IJBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3c(C)cccc3c2=O)cc1 101388399 SPQPBKQXXYHGHT-UHFFFAOYSA-N 430.416 4.938 5 40 IJBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(SC)cc2)cc1 408574555 VEQISHKGTKTSRQ-IBGZPJMESA-N 430.555 4.806 5 40 IJBB O=c1c2ccccc2oc2nc(-c3ccc(Br)cc3)n(Cc3ccco3)c(=O)c12 2353902 NBPZBADYZFDWOF-UHFFFAOYSA-N 449.260 4.574 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 2415767 RKMIXTYSGPGPCX-CQSZACIVSA-N 443.507 4.580 5 40 IJBB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 2658788 UNDMYVUPMLLHIJ-UHFFFAOYSA-N 425.828 4.761 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 10022451 VODUTWUZZOMWAT-LBPRGKRZSA-N 445.526 4.626 5 40 IJBB C[C@H](C(=O)Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)n1nc(C(F)F)cc1C(F)F 19631141 UKMJMKCRGVLQQE-SSDOTTSWSA-N 440.300 4.510 5 40 IJBB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739316 GAXPBHIGBXPVPX-AUWJEWJLSA-N 425.249 4.844 5 40 IJBB COc1cc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)cc(OC)c1OC 723808 ZHMGZZYVGVWYCP-LJQANCHMSA-N 448.475 4.980 5 40 IJBB Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2cc(Cl)ccc2o1 9327577 OGIZWUZFPBKJET-UHFFFAOYSA-N 428.857 4.765 5 40 IJBB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 10022021 MBSDNHLEUJTOKR-VHSXEESVSA-N 445.686 4.978 5 40 IJBB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 10187623 GVQDWAXRHUTOND-UHFFFAOYSA-N 440.506 4.907 5 40 IJBB O=C(O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 13351503 FLIZNNOHZFTDTF-YBEGLDIGSA-N 437.795 4.526 5 40 IJBB Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)c(Cl)c1 408689727 YXKAJZKLFQABDS-UHFFFAOYSA-N 446.290 4.981 5 40 IJBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C(C)=O)cc2)c([N+](=O)[O-])c1 9464472 HIOCMKJLLHIKHR-UHFFFAOYSA-N 440.477 4.805 5 40 IJBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 12622248 AHWKSZKLXGBSFY-QFIPXVFZSA-N 428.448 4.528 5 40 IJBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225616966 KWZIYTVFGMPJIE-JXFKEZNVSA-N 445.947 4.513 5 40 IJBB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 3326187 GCBIHZLDEDOBER-UHFFFAOYSA-N 426.784 4.537 5 40 IJBB C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 21628777 YWKRDIDJDQMLMY-SNVBAGLBSA-N 440.283 4.778 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2408284 MMWJWHURIYJRSS-UHFFFAOYSA-N 441.535 4.581 5 40 IJBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 25329560 YBMORTIKWUIRQK-HYBUGGRVSA-N 429.432 4.608 5 40 IJBB Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccccc3)cs2)n1 12441795 GJPGJHYRFOFQHW-FMIVXFBMSA-N 431.477 4.864 5 40 IJBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccccc1 2307623 GVVSOAUBSGTVTI-UHFFFAOYSA-N 431.499 4.894 5 40 IJBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408818821 PCHPXFHLJVUSNA-YVLHZVERSA-N 448.884 4.892 5 40 IJBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C 2349594 OPBUKLAIYJXJGI-UHFFFAOYSA-N 449.492 4.699 5 40 IJBB O=C(OC[C@@H]1CC1(Cl)Cl)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12950784 CJTXEVYWKSIGSG-NSHDSACASA-N 428.655 4.830 5 40 IJBB O=C(NC1=NCCS1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13098515 AQWIJOKJIDSZFC-UHFFFAOYSA-N 427.429 4.597 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223359031 WVMNISBNGSAAAV-VXKWHMMOSA-N 445.504 4.546 5 40 IJBB C[C@H](Nc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 6177242 INUZDVJDBRMRHO-AWEZNQCLSA-N 427.438 4.509 5 40 IJBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9524255 PGMOKPXIUVCHPT-QORCZRPOSA-N 426.472 4.591 5 40 IJBB COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc2c1 9829744 GDULEIDKXNJAEF-WDZFZDKYSA-N 446.488 4.855 5 40 IJBB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3263175 NGNLFJDSSGTDHR-UHFFFAOYSA-N 429.432 4.813 5 40 IJBB COC(=O)c1ccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 8684642 UQTKLXFYDMANEU-UHFFFAOYSA-N 447.399 4.859 5 40 IJBB biogenic Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836737 NDJCTPSUVWOBLU-UHFFFAOYSA-N 431.927 4.961 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 9125009 YSPOCWHNVKHOQG-HNNXBMFYSA-N 436.420 4.580 5 40 IJBB CC(C)CCC[C@@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 26182150 DMNLGVSQFBTRBG-OAHLLOKOSA-N 430.471 4.660 5 40 IJBB CC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)cc([N+](=O)[O-])c2)cc1 33509620 BYUUSQCJLFTHCU-UHFFFAOYSA-N 445.431 4.505 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224178235 QKIZRYZJLPMTLM-PKTZIBPZSA-N 441.516 4.958 5 40 IJBB COc1cc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(C)cc1[N+](=O)[O-] 9509776 NOQMNKIXYNFVHB-UHFFFAOYSA-N 448.475 4.616 5 40 IJBB O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl 72229370 AAHOBJNYXOQJOA-UHFFFAOYSA-N 430.675 4.644 5 40 IJBB COc1cc(CNc2cccc(C(=O)O)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408610175 OBRBJOGKYMGFBT-UHFFFAOYSA-N 439.380 4.614 5 40 IJBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 3770708 GTQQNJYYNBEZMF-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 6142740 BIPWNJYWYFHMFR-UHFFFAOYSA-N 446.481 4.716 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13135083 HKWOTQACOAYKJE-UHFFFAOYSA-N 445.522 4.567 5 40 IJBB O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 72229369 INSPAMDINGOVTB-UHFFFAOYSA-N 430.675 4.644 5 40 IJBB Cc1noc(/C=C/c2ccc(OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1[N+](=O)[O-] 408603753 HDGYPKNHQCGRBR-QPJJXVBHSA-N 437.496 4.525 5 40 IJBB O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 3196735 WLZFCAXXOZUNIL-UHFFFAOYSA-N 438.395 4.768 5 40 IJBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1Br 408826205 IWFFOMGPRMOVBZ-UHFFFAOYSA-N 434.271 4.742 5 40 IJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 409192807 BLVAUOOEIMAHSS-LRFXARPXSA-N 440.411 4.558 5 40 IJBB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20632401 AIBZEVFYHLMOLW-KRWDZBQOSA-N 445.504 4.546 5 40 IJBB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1 408695501 QXWFYMGFRBSDKM-UHFFFAOYSA-N 431.427 4.851 5 40 IJBB Cc1nn(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-] 8825105 NMKHBGHQHVCAKZ-FQEVSTJZSA-N 444.285 4.827 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 10186533 VAEIHEQQYMOJFN-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB COc1ccc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 12495240 NAMQWFKDWLKEEC-UHFFFAOYSA-N 449.488 4.926 5 40 IJBB O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2cccs2)c(-c2cccs2)s1 12520735 LPJSVVOJHVTNCX-UHFFFAOYSA-N 431.524 4.734 5 40 IJBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] 19684370 MZPZOITYKWMECB-OAHLLOKOSA-N 437.930 4.692 5 40 IJBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(C)C2=S)cc1 409043225 YJGIDDWXPGFLRN-ZHZULCJRSA-N 449.488 4.858 5 40 IJBB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 1068738 WFJMEDXVGOSYJL-JOCHJYFZSA-N 443.463 4.548 5 40 IJBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 8934490 AXTRLTUNCLTTGE-HMMYKYKNSA-N 425.469 4.546 5 40 IJBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c([N+](=O)[O-])c1 9439402 YFSSCCFCXAFBKW-OAQYLSRUSA-N 449.419 4.657 5 40 IJBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 408560926 FRXMEQMGCVHLAW-FCQUAONHSA-N 425.510 4.847 5 40 IJBB CCO[P@]1(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)C2=C1CCO2 2236394 YQTJMIRZOCKJCH-PMERELPUSA-N 427.353 4.515 5 40 IJBB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 9585282 DEPHBSVXDLLBDW-DEOSSOPVSA-N 447.462 4.583 5 40 IJBB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])s3)ccc21 13133663 DBNAVFKVMODCHZ-ZDUSSCGKSA-N 437.477 4.968 5 40 IJBB CCOC(=O)c1cc(Br)cc(F)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 72275404 UPHLASBCYMMLHR-UHFFFAOYSA-N 445.628 4.579 5 40 IJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2334796 KUSKLBDJDXQSEH-UHFFFAOYSA-N 433.899 4.746 5 40 IJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2CCc1ccccc1 2407067 AYAVLJCPRFHCCL-UHFFFAOYSA-N 425.536 4.892 5 40 IJBB CCOC(=O)[C@@H](C(C)=O)C(c1c2ccccc2cc2ccccc12)[C@H](C(C)=O)C(=O)OCC 16682143 ZAWXSOPDZSJZFM-GOTSBHOMSA-N 448.515 4.613 5 40 IJBB Cc1nn(Cc2c(C(=O)Nc3ccc(-c4ccccc4)cc3)noc2C)c(C)c1[N+](=O)[O-] 17097461 UFQXRXZIEWTNQG-UHFFFAOYSA-N 431.452 4.672 5 40 IJBB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c(C)s1 40074236 MABLJRJZPFIDBT-SGTLLEGYSA-N 437.949 4.558 5 40 IJBB CCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)n[nH]1 408633301 XPTCHIJJUGUUFE-GZTJUZNOSA-N 442.522 4.953 5 40 IJBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c([N+](=O)[O-])c1 9439410 YFSSCCFCXAFBKW-NRFANRHFSA-N 449.419 4.657 5 40 IJBB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 13584017 OWDSOTVTWIZSTQ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 14270383 QWCIDBLGBVXKAS-UHFFFAOYSA-N 449.113 4.791 5 40 IJBB Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 955090 BVMXGIXUWBYZQA-UHFFFAOYSA-N 436.287 4.601 5 40 IJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2209183 UARXBIUFLOPOHA-UHFFFAOYSA-N 427.508 4.791 5 40 IJBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)cc1 2258190 VXJFMQZCVBZHOQ-UHFFFAOYSA-N 431.499 4.699 5 40 IJBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 17095682 DAHMPQNVNLOLRQ-UHFFFAOYSA-N 428.235 4.888 5 40 IJBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 101342072 NLIYKRHDZDLPIG-UHFFFAOYSA-N 446.440 4.818 5 40 IJBB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)n1 9193133 VUSQWMQZORHHFC-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB COc1ccc(OC)c(-n2c(-c3ccc([N+](=O)[O-])cc3)cnc2Nc2nc(C)cc(C)n2)c1 14608334 MQWPQEFOUXSVBV-UHFFFAOYSA-N 446.467 4.615 5 40 IJBB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17098365 GVMHNDMILXYYCJ-UHFFFAOYSA-N 433.392 4.583 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(F)ccc1OCC(F)(F)F 32906151 PPDBGXDHJRYKCG-UHFFFAOYSA-N 444.384 4.874 5 40 IJBB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 9111679 FWKMCGFAHSBGSJ-UHFFFAOYSA-N 426.498 4.774 5 40 IJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(OC)cc1 14183385 FRKDBCBTTPNXCF-UHFFFAOYSA-N 426.450 4.761 5 40 IJBB COc1cc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])c(OC)c1OC 31798635 GMBFNRLJLYRUDF-LJQANCHMSA-N 428.485 4.672 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224981700 PTAGUUJMZQQSIH-HKOYGPOVSA-N 429.476 4.611 5 40 IJBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c1 409230620 DLSHNXYNYUNWAB-OEAKJJBVSA-N 443.459 4.575 5 40 IJBB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cccc([N+](=O)[O-])c4C)c(=O)c23)cc1 12921557 LDBCMURSCIAGQI-UHFFFAOYSA-N 448.504 4.679 5 40 IJBB Cc1ccc(C(C)C)c(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59417131 ZMFDUEVDYYNOTR-UHFFFAOYSA-N 440.418 4.619 5 40 IJBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107827262 XPEIZTYONVOEDQ-UHFFFAOYSA-N 446.828 4.543 5 40 IJBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(OC)cc1 409203579 XUVYGAFGTXLCKE-XDOYNYLZSA-N 431.901 4.627 5 40 IJBB CC(C)Oc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCC5)cc1 2452281 SRIWDPNVUPMLSA-UHFFFAOYSA-N 436.566 4.555 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)[C@H]2C1 409355108 BNIYEYUZFRGUBR-FRIZHTMISA-N 427.423 4.510 5 40 IJBB Cc1cc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 8432550 JMMNDPNQXHLWTJ-UHFFFAOYSA-N 436.376 4.643 5 40 IJBB Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408918053 FNRUCCWREOJEFG-ZOVQAKDCSA-N 438.483 4.782 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1 2273873 UPMKMVYYEDTJBL-UHFFFAOYSA-N 425.492 4.797 5 40 IJBB COc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 10041200 QRPLRCXUWQVUSS-UHFFFAOYSA-N 439.420 4.770 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 17748052 INGNBOWBXDLSJJ-JQBYJRRVSA-N 430.847 4.645 5 40 IJBB CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)cc1 36619118 FUFNLYARMARKCG-JKSUJKDBSA-N 444.495 4.704 5 40 IJBB C[C@@H]1[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)CCC[C@H]1C 253574949 UBIAEIPBMUHLGE-WYEJZRMESA-N 427.548 4.951 5 40 IJBB O=C(c1ccc(Cl)cc1)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 21106187 XQJIXZBBBDAXIN-UHFFFAOYSA-N 425.824 4.925 5 40 IJBB O=[N+]([O-])c1ccc(SCCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100937342 BYIONUJAOBEBSI-UHFFFAOYSA-N 440.415 4.594 5 40 IJBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2249420 HUEIYPFQEIPTHU-UHFFFAOYSA-N 439.519 4.775 5 40 IJBB COc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc4c(cc23)OCO4)cc1 8607082 WCAMMBOQMGDLAH-UHFFFAOYSA-N 440.415 4.886 5 40 IJBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9300139 GNCOKQSONDGTHH-FYYLOGMGSA-N 446.419 4.754 5 40 IJBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)cs1 9765444 HFELSPIOUAXGQB-UHFFFAOYSA-N 431.495 4.771 5 40 IJBB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16044222 PHPLRBKCMJSSQB-MRVPVSSYSA-N 444.416 4.844 5 40 IJBB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 19929099 IVTIHLJQXCIMFL-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB C[C@@H]1CCC[C@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C 40398836 UBIAEIPBMUHLGE-RRQZXNHTSA-N 427.548 4.951 5 40 IJBB Cc1c(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 224881279 FQPPCERZDBDVHM-UHFFFAOYSA-N 430.258 4.892 5 40 IJBB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9428046 MDEAJHOLJAIGBW-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)c1 9413749 LLPZOXHDLKPIMM-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17096974 KBOLCHJCWMZTJI-UHFFFAOYSA-N 430.511 4.510 5 40 IJBB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc([N+](=O)[O-])o2)cc1 19318780 JTAYDDBVTLOJER-UHFFFAOYSA-N 437.496 4.612 5 40 IJBB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n3c2c1 408844488 TWABHKNZXWAXPK-NHDPSOOVSA-N 445.500 4.859 5 40 IJBB Cc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2n1 21596017 FGVHJYDEGFUGRD-UHFFFAOYSA-N 432.461 4.838 5 40 IJBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O 106685591 AAOZHKFZFYCDOZ-PXNMLYILSA-N 434.857 4.589 5 40 IJBB O=[N+]([O-])c1cc(-c2nnc(Nc3ccccc3)c3ccccc23)ccc1N1CCOCC1 8691975 ULQKTHFYHZWSBK-UHFFFAOYSA-N 427.464 4.785 5 40 IJBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 8827456 NPXXKLCARMGWNQ-MRXNPFEDSA-N 439.836 4.561 5 40 IJBB Cc1ccc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3)c2c1 9064998 QRAWBDSETUFKKI-UHFFFAOYSA-N 425.492 4.840 5 40 IJBB COc1cc(C(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc(OC)c1OC 9348697 FQWCAXXILSIPTQ-UHFFFAOYSA-N 439.851 4.878 5 40 IJBB COc1ccccc1CN(Cc1cccs1)C(=O)CCOc1ccc([N+](=O)[O-])cc1 32818898 OPEONBHYTGHQLC-UHFFFAOYSA-N 426.494 4.663 5 40 IJBB Cc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)ccc1[N+](=O)[O-] 33625641 QHICKHHCEKYDFI-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 408975692 LPCQMUMXKHFROP-UHFFFAOYSA-N 438.560 4.783 5 40 IJBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC(c1ccccc1)c1ccccc1 9130532 UXADECGPEKXYLC-UHFFFAOYSA-N 437.521 4.581 5 40 IJBB C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl 9140975 DECKZFMHAHRGSL-SECBINFHSA-N 447.658 4.504 5 40 IJBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c3ccccc23)CC1 10139996 PLYZZVXQBGASSG-CQSZACIVSA-N 426.904 4.936 5 40 IJBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 32931849 MQZXHNQXMPOVTP-KKSFZXQISA-N 435.505 4.572 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 223066247 CPLDEDJNSSLCJH-UZEJHQAJSA-N 443.547 4.766 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1OC 2400286 HVEVMWSWFGAIRR-AWEZNQCLSA-N 443.507 4.580 5 40 IJBB COc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1[N+](=O)[O-] 3338639 NFVYZXGNIRGUPK-QFIPXVFZSA-N 434.448 4.757 5 40 IJBB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 12651587 OOBOBWPUECOFMD-UHFFFAOYSA-N 449.488 4.770 5 40 IJBB O=c1/c(=C/C=C/c2ccc([N+](=O)[O-])o2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 33334870 IYEYAAGTWAFIPX-DTLUPDQHSA-N 441.468 4.804 5 40 IJBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408527785 CPNAKGWTBZJKJO-UHFFFAOYSA-N 442.387 4.846 5 40 IJBB O=C(CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Br)cc1 9971531 HVNMMHJPRMMMOE-UHFFFAOYSA-N 449.286 4.528 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2[N+](=O)[O-])CC1 7496769 GQSMBZGJBJJUMP-UHFFFAOYSA-N 425.485 4.649 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1[N+](=O)[O-] 9414246 YBAALMJJRPCLIX-UHFFFAOYSA-N 446.375 4.754 5 40 IJBB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1OC 12250934 YIKXUDGDFHFMFJ-UHFFFAOYSA-N 435.461 4.702 5 40 IJBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)cc1[N+](=O)[O-] 16732738 PJJUAUMZSXDGSH-YVLHZVERSA-N 438.490 4.785 5 40 IJBB Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2cccc(Cl)c2)cc1 9216263 UQOIOYQTONHTQH-UHFFFAOYSA-N 427.891 4.866 5 40 IJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 10904804 PMYOVZCJFJJKAS-UHFFFAOYSA-N 435.814 4.773 5 40 IJBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1-c1ccccc1 40398722 AOMGOJWAFSYYRM-UHFFFAOYSA-N 434.282 4.997 5 40 IJBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1OC 79191128 LRDSWJYQYMXNFG-UHFFFAOYSA-N 449.463 4.603 5 40 IJBB biogenic O=C(/C=C/c1ccco1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 9138691 NFTXXZYPLDYHTB-BQYDLMEBSA-N 426.812 4.778 5 40 IJBB CCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 5895985 KMMTZFILIJDVQJ-UHFFFAOYSA-N 425.485 4.650 5 40 IJBB O=C(CSc1cccc2cccc(Cl)c12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9338492 LQEOJRGBCYFROJ-UHFFFAOYSA-N 441.940 4.842 5 40 IJBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccc([N+](=O)[O-])c1 14270503 LYRTYVPQWCNPEA-UHFFFAOYSA-N 448.529 4.676 5 40 IJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl 409180763 ZZZWPDMAHUBBNR-FQEVSTJZSA-N 440.795 4.937 5 40 IJBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409221546 RUFVDTGHDYSCGV-LICLKQGHSA-N 429.410 4.742 5 40 IJBB Cc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12886371 GUOCCTXMXZMYQN-ZDUSSCGKSA-N 431.832 4.598 5 40 IJBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCN(Cc2ccccc2)CC1 15833748 GNBJLJSEIWDGKK-UHFFFAOYSA-N 441.491 4.634 5 40 IJBB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2c1ccccc1 20156286 IZALYFWTAGNKDG-RDPSFJRHSA-N 429.432 4.917 5 40 IJBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC 225756798 GTBVMFOXTVXGOZ-UHFFFAOYSA-N 426.469 4.621 5 40 IJBB O=C(COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1SC(F)F 12044362 KUJNJEHQSCXMAX-SOFGYWHQSA-N 442.827 4.758 5 40 IJBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 18068257 NZBCBCZBEWMAPD-JQBYJRRVSA-N 430.847 4.645 5 40 IJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 214966527 CSDIYWQNIWAOIO-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB CCn1c(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633920 NJVQFPLLMPHLBV-WJDWOHSUSA-N 430.873 4.744 5 40 IJBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 9072495 PYFHLCWKGRJSNT-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 32907817 VQHYQDHGZHUFIF-UHFFFAOYSA-N 440.355 4.569 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 59132909 WGKWKRAAZHTMND-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2253555 CEFYBGPOVAFZQN-UHFFFAOYSA-N 425.492 4.716 5 40 IJBB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 9323464 CFFFRPRUGHIGAZ-VBEHJTROSA-N 429.860 4.518 5 40 IJBB COc1ccccc1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12601099 PBSAJSLEUHSJMO-UHFFFAOYSA-N 426.450 4.601 5 40 IJBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N1CCCCC1 44087127 HHKVDTYNYIKUOO-UHFFFAOYSA-N 440.500 4.691 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 59433440 UCVWPAVELXJTSG-ZCOIRKDISA-N 438.483 4.864 5 40 IJBB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 72242778 NABDAKPKHZYXRL-UHFFFAOYSA-N 430.420 4.638 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 3393075 MEDPDBPDQAUWGN-HNNXBMFYSA-N 436.420 4.580 5 40 IJBB O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](CSc1ccc([N+](=O)[O-])cc1)CS2 8844780 AEBGOHOTHZBCCO-LBPRGKRZSA-N 431.564 4.684 5 40 IJBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 17098860 ZKNCRLFZRAJMIU-UHFFFAOYSA-N 434.502 4.998 5 40 IJBB Cc1c(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1Cl 409324518 UPURIXUNYBNGRG-ZHACJKMWSA-N 436.855 4.931 5 40 IJBB COc1cc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc(OC)c1OC 10120211 JASHTYBICCHLSF-UHFFFAOYSA-N 449.419 4.681 5 40 IJBB CC(C)c1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(O)c(C(C)C)c1 13075920 INLHCSHUINTUGM-UHFFFAOYSA-N 425.441 4.954 5 40 IJBB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 6075354 MYQOODGBTUGQKK-FQEVSTJZSA-N 435.402 4.502 5 40 IJBB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(F)cc1[N+](=O)[O-] 9545868 BNTUAZTWEMYHEL-GXDHUFHOSA-N 432.454 4.579 5 40 IJBB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 9708232 LHGFHMLZHUDEGK-IBGZPJMESA-N 427.913 4.844 5 40 IJBB COc1ccc(-c2cn3nc(COc4ccc([N+](=O)[O-])cc4)n4c3c2CCCC4)cc1OC 9737624 VPKLDBYBHDBZMB-UHFFFAOYSA-N 448.479 4.644 5 40 IJBB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17098253 SWKWVAXQRLGUED-UHFFFAOYSA-N 432.933 4.674 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17103102 UPAAOMOZSSRVDP-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB C[C@@H]1C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 36631458 NECWCHVSDQSFPJ-NOTUOJBMSA-N 432.584 4.918 5 40 IJBB CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 8832652 VQIRZYSBUUXQLB-UHFFFAOYSA-N 440.887 4.512 5 40 IJBB COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 9171510 CWMFAMKGUPTUDY-UHFFFAOYSA-N 431.857 4.823 5 40 IJBB O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235596 UATJJTUNWVJIDJ-UHFFFAOYSA-N 431.901 4.643 5 40 IJBB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OCC)c1 214908549 ZNUDRUZDNYVBCT-YBFXNURJSA-N 428.466 4.629 5 40 IJBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC 408916711 GITKAIMLKPCQLH-LICLKQGHSA-N 448.884 4.892 5 40 IJBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc(C(C)(C)C)cc3)nc21 2432394 LXMBQUROTUVXAA-UHFFFAOYSA-N 439.515 4.854 5 40 IJBB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 16899411 IVWQPRDMIXCHPL-CQSZACIVSA-N 445.806 4.709 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 107645547 KTSJQNRYTGIUQD-UHFFFAOYSA-N 425.466 4.607 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1Cl 2250159 FWNVNTMNIVQTJG-UHFFFAOYSA-N 433.899 4.602 5 40 IJBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225588993 CXSBHRRNSZVOHU-OXQOHEQNSA-N 445.947 4.513 5 40 IJBB O=C1c2ccccc2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 9469913 GKPGDAAWCHRZEX-OAQYLSRUSA-N 437.839 4.744 5 40 IJBB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 253574948 UBIAEIPBMUHLGE-HHJKRLRDSA-N 427.548 4.951 5 40 IJBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2306960 ZVXNEMMYQZXFAV-UHFFFAOYSA-N 449.489 4.974 5 40 IJBB CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 31487199 PRLRVJGZINSFET-UHFFFAOYSA-N 436.537 4.804 5 40 IJBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1 15790967 VDQVVJTUIQEQAS-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl 20610782 FMYJFYDKOCIMPQ-UHFFFAOYSA-N 437.843 4.551 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 59132880 ZPWBMQFDBBTLGY-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 97379011 GROZOHLESBRSBU-UHFFFAOYSA-N 435.871 4.780 5 40 IJBB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222897152 MKXCPEITEIBVJI-SFTDATJTSA-N 438.509 4.641 5 40 IJBB CC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 409180570 XBAXXDNOVMVLKW-UHFFFAOYSA-N 439.489 4.944 5 40 IJBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl 409327217 RKKINTAKWDIVMM-CLFYSBASSA-N 443.843 4.598 5 40 IJBB CC[C@@H](C(=O)Nc1cc(Sc2ccc(C)cc2)cc([N+](=O)[O-])c1)n1cc([N+](=O)[O-])cn1 2805251 QKERFVMHUQRPLT-IBGZPJMESA-N 441.469 4.749 5 40 IJBB Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 8398345 DAPXRSPZNDBOGK-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12461641 GZLMIZUQHZDZSN-UHFFFAOYSA-N 430.869 4.642 5 40 IJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1nnc(-c2ccccc2)o1 408604978 KESJBGCYMMDYFI-PKNBQFBNSA-N 434.408 4.699 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408673726 UJKVAFZGVUNMTM-UHFFFAOYSA-N 435.823 4.610 5 40 IJBB Cc1ccc2c(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cccc2n1 9289100 NMKHCVNCGBQMNX-UHFFFAOYSA-N 449.536 4.569 5 40 IJBB O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 32124798 KLAJMVGHCRSWDT-CXUHLZMHSA-N 436.898 4.574 5 40 IJBB COc1ccccc1N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 54220062 FCXYUHXXGQTGQD-UHFFFAOYSA-N 437.547 4.569 5 40 IJBB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1C 59176107 UTUWPUXQBKYTCT-UHFFFAOYSA-N 448.888 4.558 5 40 IJBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8831084 POTHORLBBJVSHP-UHFFFAOYSA-N 442.453 4.730 5 40 IJBB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccc([N+](=O)[O-])c1 8996278 CQQNTCDTPSMFHO-UHFFFAOYSA-N 447.495 4.845 5 40 IJBB Cc1cccc(C)c1N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 95470825 IYKLEPWNZGOEGZ-UHFFFAOYSA-N 425.238 4.928 5 40 IJBB C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101982083 BKGQDHJNBGUGPK-FMASATMTSA-N 429.395 4.654 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 408908683 XUNYRDXJZBQSHS-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1ccc([C@H]2CCCCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 1706540 MAFBUJOWFLDDIH-IEBWSBKVSA-N 429.469 4.894 5 40 IJBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 9730795 QUCKJUCARIWDQR-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1ccccc1[N+](=O)[O-] 12679329 LRLHFHVEOMTOAS-UHFFFAOYSA-N 432.505 4.710 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17103105 OEOCRRFORNMIGM-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1OC 20411975 UYPAXWMNXIUSBS-UHFFFAOYSA-N 449.419 4.681 5 40 IJBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC 106740450 QFZVJTMRHBCOQG-SXGWCWSVSA-N 434.857 4.502 5 40 IJBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 408563135 JSQAOEVWTXODPY-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 2401583 YFHLFGUHWXIPMU-HNNXBMFYSA-N 427.508 4.880 5 40 IJBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 2448380 XFJNAIHGSHQRLA-UHFFFAOYSA-N 433.493 4.929 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1[N+](=O)[O-] 9057067 MXPUSYRGWANKBP-UHFFFAOYSA-N 436.449 4.543 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9414253 SYVWJCWBFMHDHA-UHFFFAOYSA-N 446.375 4.754 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C)cc1 10314266 SOXAUBFOXQANDZ-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB O=C(OCC12C3c4ccccc4[C@@H]1[C@@H]2c1ccccc13)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 44628577 SQEJORIVXQHUOG-NPXOOMFISA-N 428.400 4.686 5 40 IJBB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225506463 WZGAGEHPUKSOGH-UHFFFAOYSA-N 437.540 4.910 5 40 IJBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)C1 408974737 CWFNQDSESXMKBM-QGZVFWFLSA-N 446.576 4.718 5 40 IJBB CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 12517146 OKIXLAXGNBWILE-GOSISDBHSA-N 446.345 4.841 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223358864 WVMNISBNGSAAAV-FGZHOGPDSA-N 445.504 4.546 5 40 IJBB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 223650686 MODLCMPMPCOVGW-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB Cc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F 830298 RMNZQNKNANKIHQ-JOCHJYFZSA-N 435.455 4.803 5 40 IJBB CC(=O)n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 6014849 SCIFQRGVXNZUTI-UHFFFAOYSA-N 430.873 4.503 5 40 IJBB Cc1cc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F 11007032 UVJKDKAFXKVDGE-UHFFFAOYSA-N 439.409 4.594 5 40 IJBB Cc1nc(SCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)n(C2CCCCC2)c1C 16129733 RUMUISHJCBSZMY-UHFFFAOYSA-N 428.558 4.985 5 40 IJBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccccc1F 409069230 WSFBYFMEDFYUQE-VCHYOVAHSA-N 441.802 4.740 5 40 IJBB O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 409332723 LTTSLCACRAVDNU-CDPNLFKUSA-N 442.471 4.988 5 40 IJBB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C 409412626 YSTNZIIWVGZCSZ-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1 3273411 RPEKOIFYZBQJAS-UHFFFAOYSA-N 447.472 4.975 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1 8902522 DDSFSGHHMHWKJJ-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1OC 8903868 UDUQXCLNVQPMQR-UHFFFAOYSA-N 433.420 4.981 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20050790 UNIZPZBZCMWGDP-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408736583 CZVYZPWFSQLMAW-DEOSSOPVSA-N 445.519 4.815 5 40 IJBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c(C)c1 408738224 QONJLMYUIXNHKD-HSZRJFAPSA-N 447.491 4.688 5 40 IJBB CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408818319 XMFVMMCZWGTVOR-SXGWCWSVSA-N 449.282 4.602 5 40 IJBB CC(C)CCOc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Br)c1 1473172 DWVVXCKJUVNMAV-UHFFFAOYSA-N 437.290 4.800 5 40 IJBB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2095293 LZOBUMPQZZLGIG-LJQANCHMSA-N 441.480 4.554 5 40 IJBB biogenic Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)o1 13148378 SPWWYBGJSZWKKF-UHFFFAOYSA-N 445.431 4.815 5 40 IJBB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007873 SSZNAEOZHYPBIW-UHFFFAOYSA-N 426.538 4.888 5 40 IJBB COc1ccc(CCn2c(C3CCCCC3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2199856 NKYQHKTVBLUROT-UHFFFAOYSA-N 430.504 4.802 5 40 IJBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc(F)cc1 8792426 UYMFTIUEBGFMAD-UHFFFAOYSA-N 437.430 4.749 5 40 IJBB biogenic Cc1csc(Sc2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2[N+](=O)[O-])n1 24647109 RYAGOXWXFZBFAT-HNNXBMFYSA-N 427.507 4.765 5 40 IJBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1 58163346 IMDTZXJCKSOXBW-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1ccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 12523285 QNWYNDGJHJCJSD-NRFANRHFSA-N 442.515 4.536 5 40 IJBB CCOc1ccc(Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 13063429 DAZSSKVXUICEEK-UHFFFAOYSA-N 443.481 4.547 5 40 IJBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6245185 OUCFQRVTPMLCMJ-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409355337 BNIYEYUZFRGUBR-ZXYWRSMDSA-N 427.423 4.510 5 40 IJBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 21005574 KKDCLGDPFWQVPJ-HSZRJFAPSA-N 440.459 4.934 5 40 IJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264338 QXWDLLOXWYLINN-UHFFFAOYSA-N 425.828 4.518 5 40 IJBB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409268915 ZPTVVORCAIFMQG-UHFFFAOYSA-N 431.404 4.529 5 40 IJBB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C 9127080 KAUQNLLENHPPTA-CYBMUJFWSA-N 429.527 4.926 5 40 IJBB Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 12342155 OGMHEKVUQNRQJC-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 111455433 ZEKLQUXMRWTCDR-MOSHPQCFSA-N 448.818 4.812 5 40 IJBB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 223957836 PVYJIJPCMMKXQC-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC 408564819 AKKCYFMIPAYYBW-OAQYLSRUSA-N 442.541 4.792 5 40 IJBB Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCCCC1)C2=O 16284110 OGMNVPGKWIAGQD-HSZRJFAPSA-N 428.916 4.847 5 40 IJBB Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3c3ccccn3)cc2[N+](=O)[O-])n1 65514262 NOUGXQAQBSQJBW-INIZCTEOSA-N 426.523 4.883 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1Nc1cccc(Cl)c1 95470753 QNZYQUJBDHDJRS-UHFFFAOYSA-N 446.644 4.787 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408543427 DHUQAGLEWBDVRE-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 3769560 OVIOFJSEGFBNDX-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840673 TZOZMLHDKQFXAC-INIZCTEOSA-N 425.485 4.504 5 40 IJBB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 6280284 VRQBSASMWQKZPN-OAHLLOKOSA-N 449.492 4.863 5 40 IJBB O=C(CSCc1ccc(Cl)c(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12693293 XHJVLKJUESYIAY-UHFFFAOYSA-N 444.292 4.745 5 40 IJBB Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 12696652 RURDSWDQJGUYQL-AWEZNQCLSA-N 425.466 4.519 5 40 IJBB O=C(COc1ccccc1F)Oc1cc(-c2ccc([N+](=O)[O-])cc2)c2oc(=O)sc2c1 27061976 KUYSZHYSEDBRDI-UHFFFAOYSA-N 441.392 4.553 5 40 IJBB COc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc([N+](=O)[O-])c1 1005620 WSXWWSHIWBCPGX-UHFFFAOYSA-N 439.378 4.503 5 40 IJBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2[C@@H](C)c2ccccc2)cc1 2346658 BNPIMNVCQBCVII-KRWDZBQOSA-N 437.499 4.533 5 40 IJBB CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 4017260 NWPSGCUFHUKEFA-UHFFFAOYSA-N 444.443 4.912 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 9161397 VMEZCIRVHZAMFN-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1Cl 9569231 JKZLAOIUKHNOAD-UHFFFAOYSA-N 425.828 4.687 5 40 IJBB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17098376 RKPPJUGYAXTNJO-UHFFFAOYSA-N 433.445 4.840 5 40 IJBB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 17161726 SPTUFHKTUAUYDV-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 409180443 SVAPGCXHIANGBV-UHFFFAOYSA-N 430.766 4.729 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409182500 LRLFDWLJCVCIFW-UHFFFAOYSA-N 430.869 4.642 5 40 IJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4sc5c(c34)CCCC5)o2)cc1 12487349 JAEAWGZBWYNCSQ-UHFFFAOYSA-N 425.495 4.821 5 40 IJBB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 17096684 RYKFNUZUEJDDBZ-UHFFFAOYSA-N 429.885 4.845 5 40 IJBB O=C(Nc1cc(O)n(-c2c(Cl)cc(Cl)cc2Cl)n1)c1cccc([N+](=O)[O-])c1 18068006 KVTAJVAUQWIWDV-UHFFFAOYSA-N 427.631 4.699 5 40 IJBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1c(-c2ccccc2Cl)noc1C 35586227 JOPWVVIJNAQPIZ-UHFFFAOYSA-N 435.845 4.702 5 40 IJBB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2616946 GQLLBVRWDVFHCU-LLVKDONJSA-N 449.945 4.831 5 40 IJBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C3=O 9357698 RXNMHFAUGOJPNU-OAQYLSRUSA-N 430.416 4.656 5 40 IJBB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)n3c2cc1C 12470050 XESXIQMHZMCQEE-UHFFFAOYSA-N 435.509 4.755 5 40 IJBB Cn1c(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)nc2ccccc21 12628946 OVEQJWTVHIXKQO-HXUWFJFHSA-N 434.883 4.849 5 40 IJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1CCN(C(=O)c2cccs2)CC1 17134293 LQJDGDZRTBVNQB-UHFFFAOYSA-N 447.512 4.603 5 40 IJBB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 1068735 WFJMEDXVGOSYJL-QFIPXVFZSA-N 443.463 4.548 5 40 IJBB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])s2)c1C 9912395 IMHOXSRSZPIWOC-UHFFFAOYSA-N 433.490 4.677 5 40 IJBB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 13619111 NBOWBXNEJXDNJA-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB COc1cccc2c1oc(=O)c1c(C)nc3[nH]n(-c4cc(Cl)ccc4Cl)c(=O)c3c12 20120530 SFZQTSKAIBXLOO-UHFFFAOYSA-N 442.258 4.597 5 40 IJBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2292716 YFMSBXJXBDQLOQ-UHFFFAOYSA-N 435.462 4.779 5 40 IJBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17103101 DTEXGZWEMBWTLN-UHFFFAOYSA-N 439.324 4.629 5 40 IJBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccco1 40398718 ZFTMMMBVZSLYNM-UHFFFAOYSA-N 438.270 4.649 5 40 IJBB CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cc(OC)cc(OC)c1 408831594 ZWDCURYMSYJMPB-UHFFFAOYSA-N 427.482 4.940 5 40 IJBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CC[C@@H](c2ccccc2)C1 408987706 BQKYFBVULBWZJK-QGZVFWFLSA-N 442.544 4.741 5 40 IJBB COC(=O)c1cc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc([N+](=O)[O-])c1 19296281 RLRKKFIWIVEGDY-UHFFFAOYSA-N 438.505 4.636 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 40398817 CPLDEDJNSSLCJH-YYULODDRSA-N 443.547 4.766 5 40 IJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409173564 LXJNCIYNBGSBEW-GZTJUZNOSA-N 439.811 4.614 5 40 IJBB CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc21 3229732 GZIORXBZMJLIRQ-SDNWHVSQSA-N 443.459 4.918 5 40 IJBB CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2c(s1)CCc1occc1-2 12117619 ZEUWYEXCXXGWSI-UHFFFAOYSA-N 441.512 4.633 5 40 IJBB Cc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Br 12522151 RDXFSVFYQYWWCJ-UHFFFAOYSA-N 437.293 4.770 5 40 IJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1[N+](=O)[O-] 33475360 IYPAOVJISJTSGZ-LUAWRHEFSA-N 425.397 4.948 5 40 IJBB COc1cc(-c2noc(CCCCCNc3ccc4ncccc4c3[N+](=O)[O-])n2)ccc1O 72280829 UVZLLCRGEPZWNX-UHFFFAOYSA-N 449.467 4.732 5 40 IJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 223714091 YKMDWRNWFIUYPV-UHFFFAOYSA-N 432.552 4.611 5 40 IJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409176783 XQLQQFDDTXJWMM-UHFFFAOYSA-N 439.336 4.561 5 40 IJBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 1960874 APKUXQLQIKSUNY-UHFFFAOYSA-N 437.157 4.716 5 40 IJBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1 19928350 ZYGIRKYHNWEEHW-UHFFFAOYSA-N 442.497 4.521 5 40 IJBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 409018482 HMDZPWZSIHDTGN-VCHYOVAHSA-N 441.802 4.740 5 40 IJBB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 3245749 MYMPPZAWNQPNSR-UHFFFAOYSA-N 435.918 4.883 5 40 IJBB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c([N+](=O)[O-])c1 9199638 RGMDNWVJAZLFBJ-UHFFFAOYSA-N 425.514 4.717 5 40 IJBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9754784 FPCGYKRFUCAPRS-INIZCTEOSA-N 438.509 4.605 5 40 IJBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3ccc(CO)o3)c2)CC1 20142846 XWFMDDPFUBCURO-UHFFFAOYSA-N 435.480 4.836 5 40 IJBB CC(C)c1n[nH]c(-c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 58052017 OOWGPVGOPGSISC-UHFFFAOYSA-N 437.503 4.702 5 40 IJBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 907424 WHAAEPZJBLEPMY-UHFFFAOYSA-N 445.504 4.882 5 40 IJBB CCOc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c([N+](=O)[O-])c1 102942238 SQEUSSBPVCMBIX-HMMYKYKNSA-N 429.432 4.634 5 40 IJBB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408655279 GVPLVHYLLUFQPY-GOSISDBHSA-N 444.487 4.879 5 40 IJBB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccccc5[N+](=O)[O-])o4)nc3c12 2791806 YBKGMZRDYQDEAE-UHFFFAOYSA-N 435.465 4.957 5 40 IJBB CCOc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OCC 13059186 HKXHXLMEGBVNFS-UHFFFAOYSA-N 449.459 4.980 5 40 IJBB O=[N+]([O-])c1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Sc1ccc(Cl)cc1 409345304 LDLUSDORLZCHPT-KRXBUXKQSA-N 446.828 4.679 5 40 IJBB COCCCn1c(-c2ccc(Cl)cc2Cl)nc2oc3ccccc3c(=O)c2c1=O 2241802 RGNAJCFKSAQODD-UHFFFAOYSA-N 431.275 4.513 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1OC 2431314 ZTCHOBWFJXSSOI-UHFFFAOYSA-N 427.508 4.873 5 40 IJBB CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)cc1 12517147 OKIXLAXGNBWILE-SFHVURJKSA-N 446.345 4.841 5 40 IJBB CCn1ncc(Cl)c1-c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1 17101721 CKGOPJDIOCAUJK-UHFFFAOYSA-N 437.838 4.751 5 40 IJBB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 9439380 HBPZHCJCSKJRMG-LDADJPATSA-N 426.425 4.518 5 40 IJBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 225872909 QGLJLKIXZKVAIZ-UHFFFAOYSA-N 435.480 4.617 5 40 IJBB COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Oc1cc(Cl)c(Cl)cc1Cl 813254 GUVSCRWHWMSEOA-UHFFFAOYSA-N 434.615 4.921 5 40 IJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2242469 LQGWKEUTEVDGQY-UHFFFAOYSA-N 441.535 4.932 5 40 IJBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 8902530 USLMAJAOKKXYBI-UHFFFAOYSA-N 427.844 4.597 5 40 IJBB COc1ccc(OC)c(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)c1 16992585 QGLOQAMHCNULII-UHFFFAOYSA-N 438.465 4.549 5 40 IJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 35242339 ZJSOMQZBRYPWBT-CYBMUJFWSA-N 445.932 4.643 5 40 IJBB Cc1c(Cl)cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(Cl)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 100099231 SWYICCQIZRSREC-UHFFFAOYSA-N 431.144 4.910 5 40 IJBB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108914366 XGFHCTRVOJMEEV-UHFFFAOYSA-N 446.282 4.744 5 40 IJBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 408713991 FUXQTQDJNHSLOT-UHFFFAOYSA-N 428.876 4.868 5 40 IJBB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ncc([N+](=O)[O-])s1 4775814 XXKVUMXKIICQHG-UHFFFAOYSA-N 431.040 4.615 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 8853767 ORLTUQWIKCWLNO-YCIYHOANSA-N 444.874 4.819 5 40 IJBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8873541 RWQJWMUCBKXWED-UHFFFAOYSA-N 438.487 4.772 5 40 IJBB Cc1cc2nc3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C 33335912 YMLXTSMDZLGUSZ-SSDVNMTOSA-N 445.500 4.859 5 40 IJBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 10010580 FNOFZHVNMIKKDI-UHFFFAOYSA-N 428.253 4.781 5 40 IJBB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 44901091 VKNYNRFFKHDVRI-UHFFFAOYSA-N 438.505 4.924 5 40 IJBB Cc1ccc(-n2c(Sc3ccc(C(N)=O)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 3449943 JEPKZYQGEMAVSZ-UHFFFAOYSA-N 445.504 4.709 5 40 IJBB O=c1/c(=C\C=C\c2ccc([N+](=O)[O-])o2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 8934543 IYEYAAGTWAFIPX-CLHQEALVSA-N 441.468 4.804 5 40 IJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 408583357 TYVGIISXULNFCI-UHFFFAOYSA-N 444.900 4.753 5 40 IJBB O=C(Nc1ccc(Br)cc1)C(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 8763242 NWFKNFLQKMGNPH-UHFFFAOYSA-N 448.660 4.623 5 40 IJBB COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792412 ZODIGRKFMHAYJS-UHFFFAOYSA-N 434.451 4.958 5 40 IJBB biogenic Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060323 SLGNPWHSIIKNRG-PKTZIBPZSA-N 439.475 4.876 5 40 IJBB C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84667949 BNKCONGRNDDQDW-CYBMUJFWSA-N 448.310 4.835 5 40 IJBB CCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)n[nH]1 408632610 RZOIDSMLIDJTEQ-LFIBNONCSA-N 428.495 4.644 5 40 IJBB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409197422 FBVWMKPCKQXXGO-XDOYNYLZSA-N 431.901 4.763 5 40 IJBB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 3243607 LJVLXEYPLGAWKZ-UHFFFAOYSA-N 427.482 4.829 5 40 IJBB O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1cccc([N+](=O)[O-])c1 9906274 IVNABVBELHDYMW-UHFFFAOYSA-N 438.823 4.503 5 40 IJBB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])s3)ccc21 13133662 DBNAVFKVMODCHZ-CYBMUJFWSA-N 437.477 4.968 5 40 IJBB O=C(NC(=S)Nc1ccccc1Br)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33366054 IVOHPRALXVUHTD-UHFFFAOYSA-N 446.282 4.744 5 40 IJBB O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 38753227 KSPWWKVNAODVNJ-HAVVHWLPSA-N 427.460 4.901 5 40 IJBB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1csc([N+](=O)[O-])c1 57996825 WYDJHASZQNDRTD-UHFFFAOYSA-N 425.344 4.773 5 40 IJBB CCCCn1c(=O)nc2n(-c3ccc(OC)c(Cl)c3)c3cc(Cl)ccc3cc-2c1=O 2222310 UHAVMJUUSIZCOD-UHFFFAOYSA-N 444.318 4.768 5 40 IJBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 14270416 POPHBEDLOAWSRG-UHFFFAOYSA-N 441.321 4.748 5 40 IJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] 17097710 WZOJAQAHWRVSPB-UHFFFAOYSA-N 431.857 4.644 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1C 17099545 MAUNEPLAOHUXKP-UHFFFAOYSA-N 435.505 4.917 5 40 IJBB O=c1[nH]c(/C=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 98035282 LDMFCUACZCHJEM-KHPPLWFESA-N 449.850 4.527 5 40 IJBB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 12976492 NXQUTATXNJPZMT-UHFFFAOYSA-N 445.493 4.526 5 40 IJBB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 214904409 WSWCHHKYHCPQGZ-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-] 20459944 KWLAZVASLNSWNT-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409228643 BYLZPBXTWDIDKM-YBFXNURJSA-N 437.839 4.910 5 40 IJBB COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 1065476 AKDGWVYVFVDTKX-JOCHJYFZSA-N 432.476 4.865 5 40 IJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 6280814 QZCAQQMRIOXVFL-HNNXBMFYSA-N 449.492 4.863 5 40 IJBB O=c1[nH]c(/C(Cl)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)nc2cc(Cl)ccc12 9491075 CTQFWWCSIFGRMY-YBEGLDIGSA-N 431.279 4.822 5 40 IJBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12561617 XMWZKNZIBMDOBD-GBXCKJPGSA-N 429.432 4.608 5 40 IJBB Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 16267696 NHVNWFUJHFASMX-UHFFFAOYSA-N 448.435 4.933 5 40 IJBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2414381 GHSIXWGBVAQIKM-UHFFFAOYSA-N 441.535 4.635 5 40 IJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)nc12 10010665 PSWFRSGITLEJKI-QMMMGPOBSA-N 442.280 4.926 5 40 IJBB CC(C)Cc1noc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)n1 12590312 VSJFNHZFLNODNM-UHFFFAOYSA-N 436.497 4.716 5 40 IJBB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)c(C)s1 40074235 MABLJRJZPFIDBT-XIKOKIGWSA-N 437.949 4.558 5 40 IJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2246972 YGWHPARTUYNTFJ-OAHLLOKOSA-N 427.508 4.631 5 40 IJBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1ccc(Cl)cc1Cl 9910204 XLAQOBPSWIXIHD-SECBINFHSA-N 438.296 4.662 5 40 IJBB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 13713708 RIDNQOQSUIHCHH-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB O=C(O)c1cccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2cccc([N+](=O)[O-])c2)c1 15225598 KDGCNOYPAOWBHA-VHXPQNKSSA-N 445.456 4.553 5 40 IJBB COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc([N+](=O)[O-])cc4[C@H]3C2)cc1OC 36352147 YEGNFTUGWCJALS-YKSBVNFPSA-N 431.448 4.854 5 40 IJBB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2n1 57315879 CFHLCRGMLQAFOR-UHFFFAOYSA-N 449.536 4.569 5 40 IJBB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 409332726 LTTSLCACRAVDNU-UWXQAFAOSA-N 442.471 4.988 5 40 IJBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 10022017 BENZILKSESQRKV-OAHLLOKOSA-N 438.867 4.699 5 40 IJBB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@@H]1CCc2ccccc21 27821644 FXDIFUGPMZYFFL-LJQANCHMSA-N 447.457 4.976 5 40 IJBB C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101982089 BKGQDHJNBGUGPK-VBKWNCFHSA-N 429.395 4.654 5 40 IJBB COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N32)cc1 9319562 RSBJEZXJRKBQLG-ZGFBMJKBSA-N 426.472 4.591 5 40 IJBB CCOC(=O)CSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 9462425 CAEKXFAICIMSGP-UHFFFAOYSA-N 441.582 4.545 5 40 IJBB O=C1c2[nH]c3ccccc3c2[C@@H](c2cccc([N+](=O)[O-])c2)OCCN1Cc1ccccc1 12376425 SYPMPHXMMZKFRT-XMMPIXPASA-N 427.460 4.838 5 40 IJBB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 224527543 YOQJFDDOWWCPDL-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=C(N/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCC1)c1ccccc1 805438 DWDKMQNIZBIIAF-OQKWZONESA-N 445.475 4.638 5 40 IJBB O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](CSc1ccc([N+](=O)[O-])cc1)CS2 8844779 AEBGOHOTHZBCCO-GFCCVEGCSA-N 431.564 4.684 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 8902761 LXFDLWHXXJQQPY-RMKNXTFCSA-N 434.433 4.702 5 40 IJBB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 10187621 YROFGADXJADAGD-UHFFFAOYSA-N 434.477 4.845 5 40 IJBB Cc1oc(-c2ccccc2)nc1COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11650125 PLNBNOXKSUMTFY-UHFFFAOYSA-N 435.358 4.732 5 40 IJBB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 6075352 MYQOODGBTUGQKK-HXUWFJFHSA-N 435.402 4.502 5 40 IJBB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408818289 ZWHLEDOGQKMVBJ-SXGWCWSVSA-N 449.282 4.602 5 40 IJBB CSc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1[N+](=O)[O-] 12628359 JDCYGZYHCDTQND-LJQANCHMSA-N 446.532 4.917 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 14269516 PZPJZNZQSXJCAN-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142998 KWFYEXDLRHZTDY-UHFFFAOYSA-N 441.871 4.853 5 40 IJBB Cc1cccc(-c2noc(-c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)n2)c1 20897668 SOPXVKYAAJFUMG-UHFFFAOYSA-N 441.491 4.947 5 40 IJBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 409200078 GJYAYVWLQAECOM-HVOBPNNYSA-N 444.465 4.541 5 40 IJBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 9065257 ILDDVKHEWKNZCM-UHFFFAOYSA-N 426.476 4.951 5 40 IJBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br 34966000 PDURPYDSCGCTNP-LLVKDONJSA-N 436.331 4.998 5 40 IJBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9518475 OKIKJDJCPIINLY-UHFFFAOYSA-N 445.387 4.574 5 40 IJBB O=C(CSc1nc2ccccc2c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 12139477 KQZVHJPQMKGICJ-UHFFFAOYSA-N 431.536 4.968 5 40 IJBB COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 17195742 IHELEQUVGQHXDK-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB COc1cc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1OC 32883034 HDAPEQAUJCCFEM-UHFFFAOYSA-N 433.892 4.754 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 835815 SPGYLLMFYPLILO-LQDNNDEMSA-N 444.874 4.819 5 40 IJBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)sc(C)c1C 8819034 KIECRFDFCJVKHY-UHFFFAOYSA-N 444.465 4.971 5 40 IJBB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1F 58174732 UWLXMTXBEHLMFY-HXUWFJFHSA-N 441.846 4.887 5 40 IJBB C[C@@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCN1C(=O)OC(C)(C)C 72297198 JRUYLNHDNSTICF-CYBMUJFWSA-N 449.891 4.590 5 40 IJBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCSCC1 408975738 MFTHHQZVPJLPIP-UHFFFAOYSA-N 442.573 4.625 5 40 IJBB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 20142650 FFGFYWYXRTWFIQ-UHFFFAOYSA-N 435.480 4.836 5 40 IJBB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 22760350 AWPNFEPUGNWJAD-UHFFFAOYSA-N 428.448 4.530 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1Cc1ccccc1Cl 2251721 FHPWYKQLHXUIJW-UHFFFAOYSA-N 441.878 4.637 5 40 IJBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1C 17099588 VBKGRKRKXQEEEK-UHFFFAOYSA-N 435.505 4.917 5 40 IJBB CCOC(=O)c1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc([N+](=O)[O-])c1 24831334 KGQQGUNADXROEF-UHFFFAOYSA-N 439.512 4.788 5 40 IJBB COc1ccc(Cn2c(-c3ccccc3)nc3sc4ccccc4c(=O)c3c2=O)cc1 2197292 KVMKGYCAWPOCFX-UHFFFAOYSA-N 426.497 4.695 5 40 IJBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 14269478 FCBFLFWJJUICCZ-UHFFFAOYSA-N 441.896 4.954 5 40 IJBB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 14272934 SNFWGYBNHOYFQF-UHFFFAOYSA-N 444.079 4.689 5 40 IJBB Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 16267692 HUQLSUKRGBTIBN-UHFFFAOYSA-N 448.435 4.933 5 40 IJBB COc1cc2nc3ccc(NC(=S)Nc4ccc(N(C)C)cc4)cc3nc2cc1OC 408995890 BWSOCCPGXQEFFK-UHFFFAOYSA-N 433.537 4.675 5 40 IJBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 409001493 WGRXHEAEGIWUFR-UHFFFAOYSA-N 440.532 4.747 5 40 IJBB COc1cc2nc3ccc(NC(=S)N4CC[C@H](c5ccccc5)C4)cc3nc2cc1OC 409002578 VFTMEJRSAXIHPV-KRWDZBQOSA-N 444.560 4.987 5 40 IJBB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215024972 NOEADIRPFNOVSO-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB CCCOc1c(I)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 408607314 KUQDUCWMHQZASQ-UHFFFAOYSA-N 442.253 4.609 5 40 IJBB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 14009420 CFFFRPRUGHIGAZ-FHNWIRHTSA-N 429.860 4.518 5 40 IJBB CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc(Nc2ccc(OC)cc2)sc1=S 32926883 RCTPDXDZUQJCPP-UHFFFAOYSA-N 431.543 4.814 5 40 IJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214948412 IVMJENROAQZNHG-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408604813 FHNFRBJAIQXJTG-UHFFFAOYSA-N 441.871 4.886 5 40 IJBB COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 1065479 AKDGWVYVFVDTKX-QFIPXVFZSA-N 432.476 4.865 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2434315 SYRFREQCVSOMBF-UHFFFAOYSA-N 427.508 4.728 5 40 IJBB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9201761 CTQAYMHFKXZUHE-LBPRGKRZSA-N 432.889 4.562 5 40 IJBB O=C(c1cc(C(=O)N2CCCc3ccccc32)cc([N+](=O)[O-])c1)N1CCCc2ccccc21 9659388 CCZIEVWWJKHTGI-UHFFFAOYSA-N 441.487 4.781 5 40 IJBB Cc1nc([N+](=O)[O-])c(SCC(=O)c2ccc(Br)cc2)n1Cc1ccccc1 27246917 BBCAMZZSWCPYFQ-UHFFFAOYSA-N 446.326 4.886 5 40 IJBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(F)c3)c2ncn1CCc1ccccc1 2228512 JHMVZAISHBLSDW-UHFFFAOYSA-N 435.462 4.665 5 40 IJBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3658977 WOVFZYFXCBHHBC-GZTJUZNOSA-N 439.221 4.962 5 40 IJBB O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccc4c(c3)OCCO4)c(O)c2)cc1 9130614 NFQWTYCNWFQIHD-UHFFFAOYSA-N 445.431 4.708 5 40 IJBB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 10902287 UJRPWVWTRBZKBQ-UHFFFAOYSA-N 445.932 4.526 5 40 IJBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 35104007 MITNBDSYTDYMLE-UHFFFAOYSA-N 442.888 4.538 5 40 IJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2cc(C)on2)cc1 44086572 SIYRKSMBDLCRCF-UHFFFAOYSA-N 449.492 4.783 5 40 IJBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223797533 HMBNRFQSUZNTAN-HXUWFJFHSA-N 445.947 4.514 5 40 IJBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224178183 QKIZRYZJLPMTLM-DHIUTWEWSA-N 441.516 4.958 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 9111206 DVFDIMXIEJNIFU-QFIPXVFZSA-N 441.443 4.771 5 40 IJBB Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)c(C)c1 10273865 BVHGFPIKBCCNGB-UHFFFAOYSA-N 437.477 4.547 5 40 IJBB NC(=O)c1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)c2c1CCCC2 95117549 MIMCNTWPNNYJMK-UHFFFAOYSA-N 447.516 4.610 5 40 IJBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccccc1Cl 409331000 NXFXMEUFQHAIJG-NTMALXAHSA-N 443.843 4.598 5 40 IJBB Cc1cc(Br)ccc1NC(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 12522146 QSTZRLPOVKFPEA-UHFFFAOYSA-N 437.293 4.770 5 40 IJBB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 14269905 JSDNXFFALIPCDU-AWEZNQCLSA-N 442.541 4.541 5 40 IJBB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c2ccccc12 12897857 GUJFFICGKSICBK-QGZVFWFLSA-N 447.491 4.556 5 40 IJBB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)c1 20795971 SERUULPUSWOVIF-QGZVFWFLSA-N 445.504 4.546 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 409238342 NBSWBRXMYUVJFU-OEAKJJBVSA-N 443.459 4.575 5 40 IJBB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409246628 JXCFCGRZEIMRCG-XDHOZWIPSA-N 428.466 4.629 5 40 IJBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8831079 BOHLBXOMNMSAKC-UHFFFAOYSA-N 442.453 4.730 5 40 IJBB CC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n12 9473211 GHWWMEVJZQFABI-GFCCVEGCSA-N 443.370 4.805 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 10187638 RYIKQRKBCHGYTP-JXMROGBWSA-N 434.452 4.985 5 40 IJBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)c1 13533781 MVJGQZQVDYQQHP-NRFANRHFSA-N 441.896 4.788 5 40 IJBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)c(F)c1 95394838 KVLRXKZEZXNKNN-KRWDZBQOSA-N 447.264 4.812 5 40 IJBB Cc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@](O)(C(F)(F)F)C2)cc1 8711538 RZHYQKGVCWPFBM-LJQANCHMSA-N 448.426 4.892 5 40 IJBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9283933 XVFQGYKKLFPCNJ-VIFPVBQESA-N 447.658 4.504 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)cc1 10315138 ISPKXEXRZNMEQY-UHFFFAOYSA-N 439.493 4.573 5 40 IJBB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 12909197 NTTCVAKSDVWDJD-CYBMUJFWSA-N 448.401 4.641 5 40 IJBB Cc1ccccc1-n1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1C 59253188 UFEOZPAFBULMTJ-UHFFFAOYSA-N 432.402 4.602 5 40 IJBB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 1463945 SBZYOXUBTSAIQD-UHFFFAOYSA-N 431.400 4.904 5 40 IJBB biogenic Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1cccnc1 13546512 JAGSFOKAXBDAGM-JAIQZWGSSA-N 434.477 4.634 5 40 IJBB CCCCn1c(=O)nc2n(-c3ccc(OC)c(Cl)c3)c3cccc(Cl)c3cc-2c1=O 41076615 FGADLUKWXASPDZ-UHFFFAOYSA-N 444.318 4.768 5 40 IJBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409024064 SZUBZNPFRHPNKP-YBFXNURJSA-N 428.466 4.627 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(Cl)cc1 976237 WGQTZJWFJDQERP-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)c1 2301528 JUDCTLRZNRUXSE-UHFFFAOYSA-N 447.498 4.649 5 40 IJBB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C 9127079 KAUQNLLENHPPTA-ZDUSSCGKSA-N 429.527 4.926 5 40 IJBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 13322558 OEZBCTQDIGERBB-JTQLQIEISA-N 435.933 4.812 5 40 IJBB O=[N+]([O-])c1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)o1 2797556 KKXNFZJEEPYFQH-UHFFFAOYSA-N 447.476 4.965 5 40 IJBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] 8831273 WTHABRZAPNMFRA-UHFFFAOYSA-N 445.884 4.952 5 40 IJBB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 9016108 YPEULVNYBQAOGW-HXUWFJFHSA-N 447.834 4.808 5 40 IJBB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 14360828 YJECNFITBDOHSY-UHFFFAOYSA-N 427.939 4.575 5 40 IJBB COc1ccc(CN(C)c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2[N+](=O)[O-])cc1 20897760 NENDUTUHFQXMFC-UHFFFAOYSA-N 446.463 4.965 5 40 IJBB CSc1nc2sc3c(c2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n12)CCC3 1862261 CELLOLMLMMUUKD-UHFFFAOYSA-N 429.552 4.750 5 40 IJBB CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 57585486 OQZVACOEJAZNGP-GOSISDBHSA-N 440.725 4.936 5 40 IJBB Cc1cc(C)cc(-n2c(-c3ccc(F)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 2212416 KPSSWWSLWLDGJT-UHFFFAOYSA-N 425.463 4.661 5 40 IJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 12573160 YTQGPUDDLAIOSY-UHFFFAOYSA-N 434.408 4.624 5 40 IJBB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2798004 INASBOUZVMYAQN-UHFFFAOYSA-N 427.342 4.576 5 40 IJBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 8892598 IHPGKDHKAGVURZ-HMMYKYKNSA-N 425.469 4.546 5 40 IJBB COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1O 408837954 AXMNDZIBVUAXHU-WUXMJOGZSA-N 430.825 4.522 5 40 IJBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 835813 SPGYLLMFYPLILO-NFJKTXFASA-N 444.874 4.819 5 40 IJBB C[C@@H](NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)c1ccccc1 8792431 LFIYFNFQWPURPC-QGZVFWFLSA-N 447.494 4.848 5 40 IJBB biogenic C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 25534997 WSUNPMAWFMWNEQ-RYUDHWBXSA-N 441.709 4.998 5 40 IJBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 224526907 BVIZBOJUOKBDDV-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 10187542 JSQVWXFXWRJIME-UHFFFAOYSA-N 439.449 4.662 5 40 IJBB CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3cccc([N+](=O)[O-])c3)nc12 12140861 YACNKUMGQJMGAL-UHFFFAOYSA-N 442.541 4.592 5 40 IJBB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 13661712 JDSWXSHMMSHKPR-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)cc2C)cc1 822227 FRQJAZFOUWAXKS-HZHRSRAPSA-N 429.476 4.930 5 40 IJBB COc1ccccc1-n1c(SCc2cn3ccsc3n2)nc2cc([N+](=O)[O-])ccc21 9144399 VHTDOSFDPRCCAB-UHFFFAOYSA-N 437.506 4.944 5 40 IJBB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 11277424 LFQHSOFXZNUSRU-LJQANCHMSA-N 427.500 4.895 5 40 IJBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 32931847 MQZXHNQXMPOVTP-IERDGZPVSA-N 435.505 4.572 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 9046667 XBFAVPHBGLJMAL-SDNWHVSQSA-N 427.460 4.840 5 40 IJBB Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 12342164 HHCXLYAPZLFGLW-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12564385 BKOKWEFQAUTCNE-UHFFFAOYSA-N 435.446 4.797 5 40 IJBB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 408736693 FQGXGUUXGFTOMI-HSZRJFAPSA-N 447.491 4.688 5 40 IJBB Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1C 408737187 LSXZVXPFTVVEQO-QHCPKHFHSA-N 447.491 4.688 5 40 IJBB COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(-c4ccc(F)cc4)nc3oc2c1 2362959 HAZMJVOFKIQCIS-UHFFFAOYSA-N 442.446 4.560 5 40 IJBB Cc1ccc(C2=N/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1[N+](=O)[O-] 8432100 RQHMPQZMTNRWOD-MTJSOVHGSA-N 432.407 4.966 5 40 IJBB O=C(Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2s1)c1ccco1 20411033 KQXYNCLLVIMZFQ-UHFFFAOYSA-N 442.840 4.956 5 40 IJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 408541657 FAESEKHKUXXSLU-XFFZJAGNSA-N 425.397 4.948 5 40 IJBB O=C(OCc1ccccc1)N1CCc2cc3c(cc2[C@H]1Cc1ccccc1[N+](=O)[O-])OCO3 1024126 BFEGKVIBCBIALS-JOCHJYFZSA-N 446.459 4.802 5 40 IJBB Nc1c(Br)cc2c([nH]c(=O)c3cc(Br)ccc32)c1Br 8654908 KUBMZWHQBDWVTI-UHFFFAOYSA-N 446.924 4.551 5 40 IJBB C[C@@H](C(=O)Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)n1nc(C(F)F)cc1C(F)F 19631138 UKMJMKCRGVLQQE-ZETCQYMHSA-N 440.300 4.510 5 40 IJBB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 27637032 BKKQDZSOZQJOED-UHFFFAOYSA-N 425.876 4.794 5 40 IJBB O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] 704371 DHBZAPZRFFXMCB-UHFFFAOYSA-N 447.834 4.680 5 40 IJBB CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccccc1)C(C)C 9328774 FLYHVWGVTGZRHM-LJQANCHMSA-N 439.541 4.626 5 40 IJBB COc1cc(CNCCc2nc(-c3ccccc3)oc2C)c([N+](=O)[O-])cc1OC(F)F 84052749 HKFGDQOPWOUPFU-UHFFFAOYSA-N 433.411 4.501 5 40 IJBB COc1cc2c(cc1NC(=O)c1ccccc1Cn1cc([N+](=O)[O-])cn1)oc1ccccc12 2794714 DXNJJYBALVRSSU-UHFFFAOYSA-N 442.431 5.000 5 40 IJBB O=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 8721575 MLIKKARJXJJVKA-UHFFFAOYSA-N 427.796 4.786 5 40 IJBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 9313328 NYJBLRRVWASYSE-UHFFFAOYSA-N 438.919 4.823 5 40 IJBB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 14270621 IXFIKIHONFPVID-UHFFFAOYSA-N 448.460 4.538 5 40 IJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20477489 KVOXNIUSFWWMFM-CCEZHUSRSA-N 427.504 4.542 5 40 IJBB C[C@H]1C[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 36631456 NECWCHVSDQSFPJ-VDCGUBKVSA-N 432.584 4.918 5 40 IJBB CCOCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225866093 RIJVJLZRCAAUGB-UHFFFAOYSA-N 427.501 4.554 5 40 IJBB Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1 1021422 BPHCVHHBLIBSAQ-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB O=[N+]([O-])c1ccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)n2)cc1 8815681 DWCXHMDRQVMNKV-UHFFFAOYSA-N 445.888 4.607 5 40 IJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2Br)c1 27260865 WWJRXKPGVLQOLB-UHFFFAOYSA-N 440.253 4.862 5 40 IJBB CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 108015020 OAVDLWDYUBLTLQ-KRWDZBQOSA-N 435.889 4.709 5 40 IJBB O=C(CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 9540365 MHDZJTMFJCWLQV-UHFFFAOYSA-N 426.650 4.831 5 40 IJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 11444413 TYKVLXNOWJYSRV-UHFFFAOYSA-N 448.790 4.574 5 40 IJBB COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1 12371467 RNAGNOOQHCAKTL-XMMPIXPASA-N 427.460 4.873 5 40 IJBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1OC 3478128 BZGIGNCELDYJAF-UHFFFAOYSA-N 449.488 4.603 5 40 IJBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3O)oc2c1 9064856 LDQKMNHWPDBLCR-UHFFFAOYSA-N 448.460 4.544 5 40 IJBB Cc1cccc2sc(N3CCN(C(=O)c4cc5cc([N+](=O)[O-])ccc5s4)CC3)nc12 15391692 YKHBRJYRKQLRTJ-UHFFFAOYSA-N 438.534 4.690 5 40 IJBB O=C(Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1)c1ccco1 20411030 KGFLPDSZBBRZCU-UHFFFAOYSA-N 442.840 4.956 5 40 IJBB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 33920956 OLOATPURPNDQGG-MOUTVQLLSA-N 439.471 4.660 5 40 IJBB CCc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1 35155638 VQQSNZTZLYRMSS-XYOKQWHBSA-N 437.452 4.650 5 40 IJBB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 223650964 IQZDFIDGFBEHCR-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 20429040 HKKNCKPDQCHPJW-UHFFFAOYSA-N 433.936 4.723 5 40 IJBB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1C 13582188 PCNVCBCKZOKLNC-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB COc1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC 20897793 SIOZNLMTCMRUEY-UHFFFAOYSA-N 432.436 4.941 5 40 IJBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 21124184 FPRNZHMZJDMTGU-UHFFFAOYSA-N 429.429 4.577 5 40 IJBB COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)cc1 40398812 HIHMHMFKFHGGBU-MZNJEOGPSA-N 429.520 4.520 5 40 IJBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1C 14081818 IVKFLAWSNBZBRU-UHFFFAOYSA-N 431.905 4.566 5 40 IJBB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 408925270 LUUMUGSLTOWUJE-RELWKKBWSA-N 431.467 4.623 5 40 IJBB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)sc1C 2704788 VAQMWBNHWCFMNG-GOSISDBHSA-N 433.445 4.524 5 40 IJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1 3307745 FXIMYRXJWBNANS-UHFFFAOYSA-N 446.488 4.923 5 40 IJBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 9062194 WFBTYDRJEWCMCP-UHFFFAOYSA-N 445.460 4.618 5 40 IJBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] 409170282 VAWPBAIRPFNUGA-UHFFFAOYSA-N 425.253 4.682 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409226279 MRADBPNYSXAASN-WOJGMQOQSA-N 437.839 4.910 5 40 IJBB Cc1cc2nc3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C 8426290 YMLXTSMDZLGUSZ-JJFYIABZSA-N 445.500 4.859 5 40 IJBB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 10186529 HYXCSBHCAMWFCU-UHFFFAOYSA-N 434.839 4.508 5 40 IJBB O=C(NCc1ccccc1)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 12609878 CQFCQCPSSHXNIM-UHFFFAOYSA-N 441.837 4.800 5 40 IJBB O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 17178402 DKGHEOUBHWKEEO-OAQYLSRUSA-N 433.489 4.804 5 40 IJBB Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)c1 40398735 JVCAMPPXGRXDMA-UHFFFAOYSA-N 427.891 4.960 5 40 IJBB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccc(F)c([N+](=O)[O-])c1 59417102 YAEUFGZCWAXESJ-ZDUSSCGKSA-N 428.338 4.563 5 40 IJBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cccc(C)c4)cnc32)cc1 2324360 MXRYYQDGNKLFID-UHFFFAOYSA-N 447.498 4.980 5 40 IJBB Cc1ccc(C2=NN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@](O)(C(F)(F)F)C2)cc1 8711528 LRDHIRTUXGJVMT-LJQANCHMSA-N 448.426 4.892 5 40 IJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1csc(-c2ccccc2)n1 32900204 CICRIBLYEUTYIZ-UHFFFAOYSA-N 425.513 4.595 5 40 IJBB CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C(=O)c2ccccc2)CC1 89958960 CDWGWQAEDLTALR-UHFFFAOYSA-N 448.523 4.767 5 40 IJBB CC(C)c1ccc(-c2nn3c(CN4CCCCCC4)nc4ccccc4c3nc2=O)cc1 95944233 ZYUHYWFWSOAKAO-UHFFFAOYSA-N 427.552 4.804 5 40 IJBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1 214699945 TYZQZJFAZBFXDZ-XDHOZWIPSA-N 449.444 4.530 5 40 IJBB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17096978 TXYREDCEIRXDID-UHFFFAOYSA-N 430.511 4.510 5 40 IJBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN12 25329557 YBMORTIKWUIRQK-YKSBVNFPSA-N 429.432 4.608 5 40 IJBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 59433438 UCVWPAVELXJTSG-ZOVQAKDCSA-N 438.483 4.864 5 40 IJBB COc1cc(Cl)c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 8722239 FIMAWGZPTBGNBL-CAOOACKPSA-N 434.857 4.502 5 40 IJBB Cc1nc2ccccc2c2c(NC(=O)CCn3c(=O)n(C)c4ccccc43)c3ccccc3n12 14776233 KZDRYUTXEVPZQF-UHFFFAOYSA-N 449.514 4.631 5 40 IJBB O=[N+]([O-])c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccncc12 23935890 BCJCQIZTSDLMKB-UHFFFAOYSA-N 437.809 4.537 5 40 IJBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 32958144 UIVWMWGSNDRQEM-UHFFFAOYSA-N 435.461 4.898 5 40 IJBB COc1ccc(C(=O)Nc2ccccc2OC(F)(F)[C@H](F)C(F)(F)F)cc1[N+](=O)[O-] 40105161 INSLNYBUFUKYBW-OAHLLOKOSA-N 438.280 4.728 5 40 IJBB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 9412014 TZLBPZFQNZLZAJ-UHFFFAOYSA-N 427.460 4.900 5 40 IJBB CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc([N+](=O)[O-])ccc1-2 1569603 LILGGVZBSWWSSR-UHFFFAOYSA-N 426.064 4.649 5 40 IJBB C[C@H](c1ccccc1)n1c(-c2ccc(F)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2225295 CNHJUNHFTAWTIJ-MRXNPFEDSA-N 425.463 4.664 5 40 IJBB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2[N+](=O)[O-])cc1 9413808 ZDGFBHXNQBOJGF-UHFFFAOYSA-N 431.404 4.854 5 40 IJBB COc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 30117560 JJCIVWLCYMSBAK-UHFFFAOYSA-N 442.859 4.762 5 40 IJBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)OC1CCCCC1 888306 KHISEOCDIRSXNE-UHFFFAOYSA-N 438.509 4.811 5 40 IJBB COc1ccccc1-n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2197446 IGGHEPUZZLYQLJ-UHFFFAOYSA-N 447.498 4.535 5 40 IJBB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1 8682931 OSFCUWKCATZCES-UHFFFAOYSA-N 444.516 4.784 5 40 IJBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 14131951 QWTONWUXEDOQPH-YBFXNURJSA-N 436.445 4.699 5 40 IJBB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 16044839 PTZOFLJJMRNFBC-JTQLQIEISA-N 428.388 4.504 5 40 IJBB CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2 35177620 WMVCZFYXNQWJNJ-UHFFFAOYSA-N 426.450 4.834 5 40 IJBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 36408626 PGMOKPXIUVCHPT-WSOYEBOPSA-N 426.472 4.591 5 40 IJBB CCOc1ccc(C(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1[N+](=O)[O-] 72280484 QKFCDWBKQZROLB-INIZCTEOSA-N 449.301 4.742 5 40 IJBB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1Cl 27753801 LXSJMRLJJOFNFX-UHFFFAOYSA-N 448.866 4.875 5 40 IJBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 10314282 IKOXJHKYSCCWBR-UHFFFAOYSA-N 445.884 4.610 5 40 IJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COc1ccccc1 12599941 XNLSNJICXCUFIF-UHFFFAOYSA-N 426.450 4.518 5 40 IJBB CCOC(=O)c1sc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)nc1C 16778842 CXMYJGYGPPHLKG-UHFFFAOYSA-N 441.465 4.524 5 40 IJBB COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1-c1ccc(CO)o1 20140540 AMFPVNYZBJPXKQ-UHFFFAOYSA-N 434.404 4.868 5 40 IJBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 20145103 VMZRSNCRYGJXMQ-YCRREMRBSA-N 428.828 4.661 5 40 IJBB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409105936 PLTXTCJPHWEMHS-LICLKQGHSA-N 448.884 4.892 5 40 IJBB Cc1cnc2c(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cccc2c1 12763694 PXJNQTYINAUABC-UHFFFAOYSA-N 426.475 4.948 5 40 IJBB Cc1c(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cccc1[N+](=O)[O-] 14270788 VSULAQCIVBSIGX-UHFFFAOYSA-N 441.321 4.947 5 40 IJBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 17099804 CWWPPUPANRSFCR-SNVBAGLBSA-N 435.933 4.812 5 40 IJBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408563712 WTJWYKSZQOIRQA-UHFFFAOYSA-N 438.343 4.898 5 40 IJBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc(F)cc1 8868899 KVTASHRTFBJAJB-UHFFFAOYSA-N 449.375 4.892 5 40 IJBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl 408568683 IHPFBMRDOWDEHK-IBGZPJMESA-N 432.933 4.965 5 40 IJBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2c(nc3ccccc13)CCCCC2 3332007 ZZYBVNOGSPSXMM-UHFFFAOYSA-N 434.448 4.635 5 40 IJBB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316847 KICNIKOBIDCYTO-UHFFFAOYSA-N 434.839 4.566 5 40 IJBB O=C(CCCOc1ccccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12601101 DNWJLFXUUGIGDO-UHFFFAOYSA-N 426.450 4.819 5 40 IJBB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 17179715 RVBOUAUJGAXGHV-UHFFFAOYSA-N 443.459 4.600 5 40 IJBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 210838650 SKWWCFACXRNPJA-BUVRLJJBSA-N 435.483 4.833 5 40 IJBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408638170 BNQRLJVVPVNHGV-QGZVFWFLSA-N 431.448 4.687 5 40 IJBB Cc1ccc(Sc2ccc(/C=C(/Sc3n[nH]c(C)n3)C(=O)O)cc2[N+](=O)[O-])cc1 409190175 LZLJXVBBXMFFJD-LICLKQGHSA-N 428.495 4.699 5 40 IJBB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 2736995 OVTBPFLVDWQIGE-DPQIITEBSA-N 428.510 4.998 5 40 IJBB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060273 RDNAJHPRTMPXRM-GOTSBHOMSA-N 439.475 4.876 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2400793 PBUKGIKRMDNIOM-UHFFFAOYSA-N 427.508 4.647 5 40 IJBB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 17098250 LPNWSOVEIVEFFO-UHFFFAOYSA-N 432.933 4.611 5 40 IJBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc(Cl)cc1 95470779 JAAYLLNTPAYHOY-UHFFFAOYSA-N 446.644 4.787 5 40 IJBB COc1ccc(C(=O)Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1[N+](=O)[O-] 408973768 BNLKCHBAUAOSSH-UHFFFAOYSA-N 446.375 4.912 5 40 IJBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409168884 OFCMDFUICZKBNU-CXUHLZMHSA-N 449.282 4.602 5 40 IJBB CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409178765 OLINTASWWDXUBU-HSZRJFAPSA-N 432.432 4.724 5 40 IJBB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409221218 MUJGWZUCMXZCPL-HYARGMPZSA-N 443.459 4.575 5 40 IJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14272103 YKIDMSXPHVYICY-UHFFFAOYSA-N 443.463 4.959 5 40 IJBB Cc1cc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2cc1Cl 16284300 ZUGNMRGWWVSNKX-UHFFFAOYSA-N 441.321 4.947 5 40 IJBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)cc(C)c4)cnc32)cc1 2367599 BMXJXZVLHDMTQA-UHFFFAOYSA-N 447.498 4.898 5 40 IJBB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 223651548 KPABAUWLZOFNOI-UHFFFAOYSA-N 434.857 4.850 5 40 IJBB CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC 408637658 MNIIIXUUBDXIFO-UHFFFAOYSA-N 435.849 4.595 5 40 IJBB